519	727	851	5:SP2_SP2_SP3	N[5a]	C[5a,6a]	N[3,5a]	4:3:	3:2:3:	3:2:3:2:	N[3,5a]-4:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[3,5a]-3:N[5a]-2:C[6a]-3:H[3]-2:	N[5a](N[3,5a]C[3,5a]C[6a]H[3])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[3,5a]C[6a])(N[5a]N[3,5a])(C[6a]C[6a]H)	N[3,5a](C[3,5a]C[5a,6a]H[3])(N[5a]C[5a,6a])(C[6a]C[6a]2)(H[3]C[3,5a])	N[5a](N[3,5a]C[3,5a]C[6a]H[3])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[3,5a]C[6a])(N[5a]N[3,5a])(C[6a]C[6a]H){1|H<2>,2|C<3>,2|H<1>}	N[3,5a](C[3,5a]C[5a,6a]H[3])(N[5a]C[5a,6a])(C[6a]C[6a]2)(H[3]C[3,5a]){2|H<1>,4|C<3>}	99.4825	0.000	1	99.4825	0.000	1	99.4825	0.000	1	99.4825	0.000	1	99.4825	0.000	1	99.4825	0.000	1
519	727	998	5:SP2_SP2_SP3	N[5a]	C[5a]	N[5a,6]	4:3:	3:2:4:	3:4:4:2:	N[5a,6]-4:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6]-4:C[6]-4:N[5a]-2:	N[5a](N[5a,6]C[5a,6a]C[6]2)(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6])(CH3)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6a]C[6]2)(C[5a]C[5a,6a]C){2|C<3>,2|C<4>,4|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6])(CH3){1|H<1>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(N[5a]C[5a]){2|C<3>,2|C<4>,5|H<1>}	106.5040	0.000	1	106.5040	0.000	1	106.5040	0.000	1	106.5040	0.000	1	106.5040	0.000	1	105.9804	0.692	5
519	727	998	5:SP2_SP2_SP3	N[5a]	C[5a]	N[5a]	3:4:	3:2:2:	4:2:1:1:	C[5a]-3:N[5a]-4:	C[6a]-3:N[5a]-2:O[5a]-2:	B[5a]-4:N[5a]-2:H-1:H-1:	N[5a](C[5a]C[6a]O[5a])(N[5a]B[5a]HH)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]B[5a])	N[5a](B[5a]C[6a]2O[5a])(N[5a]C[5a])(H)2	N[5a](C[5a]C[6a]O[5a])(N[5a]B[5a]HH){4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]B[5a]){4|C<3>,4|H<1>}	N[5a](B[5a]C[6a]2O[5a])(N[5a]C[5a])(H)2{5|C<3>}	105.2640	0.298	2	105.2640	0.089	2	105.2640	0.089	2	105.2640	0.089	2	105.8495	0.808	4	105.9804	0.692	5
519	727	998	5:SP2_SP2_SP3	N[5a]	C[5a]	N[5a]	4:3:	3:2:2:	3:2:4:4:	N[5a]-4:C[5a]-3:	N[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:C-4:C-4:	N[5a](N[5a]C[5a]CC)(C[5a]N[5a]N)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(NC[6a])	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CH3)2	N[5a](N[5a]C[5a]CC)(C[5a]N[5a]N){1|C<3>,1|O<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(NC[6a]){1|O<1>,2|C<3>,2|C<4>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CH3)2{1|C<3>,1|N<2>}	105.7410	0.000	1	105.7410	0.000	1	105.7410	0.000	1	105.7410	0.000	1	105.8495	0.808	4	105.9804	0.692	5
519	727	998	5:SP2_SP2_SP3	N[5a]	C[5a]	N[5a]	4:3:	3:2:4:	3:2:4:4:	N[5a]-4:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-2:C-4:C-4:	N[5a](N[5a]C[5a,6a]CC)(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)2	N[5a](N[5a]C[5a,6a]CC)(C[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)2{1|C<4>,1|H<1>,2|C<3>}	107.1290	0.000	1	107.1290	0.000	1	107.1290	0.000	1	107.1290	0.000	1	105.8495	0.808	4	105.9804	0.692	5
519	813	813	5:SP2_SP2_SP2	N[5a]	N[5a,5a]	N[5a]	3:3:	3:3:2:	3:2:4:	N[5a,5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a]C)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a,5a]C[6a])(N[5a]N[5a,5a])(CCHH)	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a]C){1|N<2>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a,5a]C[6a])(N[5a]N[5a,5a])(CCHH){1|N<2>,3|C<3>}	101.8170	0.000	1	101.8170	0.000	1	101.8170	0.000	1	101.8170	0.000	1	101.8170	0.000	1	104.8509	2.881	16
519	813	813	5:SP2_SP2_SP2	N[5a]	N[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:3:	N[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]O)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|O<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<1>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6a]O)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	102.4050	0.000	1	102.4050	0.000	1	102.4675	0.008	2	102.4675	0.008	2	102.4675	0.008	2	104.8509	2.881	16
519	813	813	5:SP2_SP2_SP2	N[5a]	N[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:3:	N[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]O)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|O<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]O)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	102.5300	0.000	1	102.5300	0.000	1	102.4675	0.008	2	102.4675	0.008	2	102.4675	0.008	2	104.8509	2.881	16
519	813	813	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	N[5a]-3:N[5a]-3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a,5a]-3:N[5a]-2:C-4:	N[5a](N[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C){1|N<2>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,3|C<3>,3|C<4>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CCHH){2|C<3>,2|N<2>}	105.8270	0.000	1	105.8270	0.000	1	105.7817	0.113	11	105.7817	0.113	11	105.4509	1.497	13	104.8509	2.881	16
519	813	813	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	N[5a]-3:N[5a]-3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a,5a]-3:N[5a]-2:C-4:	N[5a](N[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C){1|N<2>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,3|C<3>,3|C<4>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CC[6a]HH){2|C<3>,2|N<2>}	105.7610	0.000	1	105.7610	0.000	1	105.7817	0.113	11	105.7817	0.113	11	105.4509	1.497	13	104.8509	2.881	16
519	813	813	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	N[5a]-3:N[5a]-3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a,5a]-3:N[5a]-2:C-4:	N[5a](N[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](N[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C){1|N<2>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CH3){2|C<3>,2|N<2>}	105.7830	0.401	8	105.7790	0.141	9	105.7817	0.113	11	105.7817	0.113	11	105.4509	1.497	13	104.8509	2.881	16
519	813	813	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	N[5a]-3:N[5a]-3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a,5a]-3:N[5a]-2:C-4:	N[5a](N[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](N[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C){1|N<2>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,3|C<3>,3|C<4>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CH3){2|C<3>,2|N<2>}	105.7470	0.000	1	105.7790	0.141	9	105.7817	0.113	11	105.7817	0.113	11	105.4509	1.497	13	104.8509	2.881	16
519	813	813	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	N[5a]-3:N[5a]-3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,5a]C[6a])2	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,5a]C[6a])2{1|N<2>,5|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,2|N<2>,4|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,2|C<4>,4|C<3>}	105.7540	0.000	1	105.7540	0.000	1	105.7540	0.000	1	103.6315	9.010	2	105.4509	1.497	13	104.8509	2.881	16
519	813	813	5:SP2_SP2_SP2	N[5a]	N[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	N[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])2	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])2{1|C<4>,5|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,4|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|C<4>}	101.5090	0.000	1	101.5090	0.000	1	101.5090	0.000	1	103.6315	9.010	2	105.4509	1.497	13	104.8509	2.881	16
530	790	892	0:SPD6_SP-NON_SP3	Ga	Cl	N	4:3:3:2:2:1:	6:	6:1:1:1:	N-4:N-3:N-3:N-2:N-2:Cl-1:	Ga-6:	Ga-6:H-1:H-1:H-1:	Ga(NH3)(NHH)2(NH)2(Cl)	Cl(GaN5)	N(GaClN4)(H)3	Ga(NH3)(NHH)2(NH)2(Cl)	Cl(GaN5)	N(GaClN4)(H)3	179.6340	0.000	1	179.6340	0.000	1	179.6340	0.000	1	179.6340	0.000	1	179.6340	0.000	1	179.6340	0.000	1
530	790	941	0:SPD6_SP-NON_SP2	Ga	Cl	N	4:3:3:2:2:1:	6:	6:1:	N-4:N-3:N-3:N-2:N-2:Cl-1:	Ga-6:	Ga-6:H-1:	Ga(NH3)(NHH)2(NH)2(Cl)	Cl(GaN5)	N(GaClN4)(H)	Ga(NH3)(NHH)2(NH)2(Cl)	Cl(GaN5)	N(GaClN4)(H)	90.3488	0.650	2	90.3488	0.422	2	90.3488	0.422	2	90.3488	0.422	2	90.3488	0.422	2	90.3488	0.422	2
530	790	956	0:SPD6_SP-NON_SP3	Ga	Cl	N	4:3:3:2:2:1:	6:	6:1:1:	N-4:N-3:N-3:N-2:N-2:Cl-1:	Ga-6:	Ga-6:H-1:H-1:	Ga(NH3)(NHH)2(NH)2(Cl)	Cl(GaN5)	N(GaClN4)(H)2	Ga(NH3)(NHH)2(NH)2(Cl)	Cl(GaN5)	N(GaClN4)(H)2	88.9621	0.000	1	88.9621	0.000	1	88.9621	0.000	1	88.9621	0.000	1	88.9621	0.000	1	88.9621	0.000	1
530	856	856	0:SPD6_SP2_SP2	Ga	N[6]	N[6]	3:3:2:2:2:2:	3:3:6:	3:3:6:	N[6]-3:N[6]-3:N-2:N-2:N-2:N-2:	C[6]-3:C[6]-3:Ga-6:	C[6]-3:C[6]-3:Ga-6:	Ga(N[6]C[6]2)2(NC)4	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(GaN[6]N4)	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(GaN[6]N4)	Ga(N[6]C[6]2)2(NC)4	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(GaN[6]N4){1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(GaN[6]N4){1|H<1>,2|C<3>}	180.0000	0.000	3	180.0000	0.000	3	180.0000	0.000	3	180.0000	0.000	3	180.0000	0.000	3	180.0000	0.000	3
530	856	941	0:SPD6_SP2_SP2	Ga	N[6]	N	3:3:2:2:2:2:	3:3:6:	6:2:	N[6]-3:N[6]-3:N-2:N-2:N-2:N-2:	C[6]-3:C[6]-3:Ga-6:	Ga-6:C-2:	Ga(N[6]C[6]2)2(NC)4	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(GaN[6]N4)	N(GaN[6]2N3)(CS)	Ga(N[6]C[6]2)2(NC)4	N[6](C[6]C[6,6a]H)(C[6]C[6]H)(GaN[6]N4){1|H<1>,2|C<3>}	N(GaN[6]2N3)(CS)	90.0000	0.462	12	90.0000	0.213	12	90.0000	0.213	12	90.0000	0.213	12	90.0000	0.213	12	90.0000	0.213	12
530	892	941	0:SPD6_SP2_SP3	Ga	N	N	4:3:3:2:2:1:	6:1:1:1:	6:1:	N-4:N-3:N-3:N-2:N-2:Cl-1:	Ga-6:H-1:H-1:H-1:	Ga-6:H-1:	Ga(NH3)(NHH)2(NH)2(Cl)	N(GaClN4)(H)3	N(GaClN4)(H)	Ga(NH3)(NHH)2(NH)2(Cl)	N(GaClN4)(H)3	N(GaClN4)(H)	89.6512	0.132	2	89.6512	0.017	2	89.6512	0.017	2	89.6512	0.017	2	89.6512	0.017	2	89.6512	0.017	2
530	892	956	0:SPD6_SP3_SP3	Ga	N	N	4:3:3:2:2:1:	6:1:1:1:	6:1:1:	N-4:N-3:N-3:N-2:N-2:Cl-1:	Ga-6:H-1:H-1:H-1:	Ga-6:H-1:H-1:	Ga(NH3)(NHH)2(NH)2(Cl)	N(GaClN4)(H)3	N(GaClN4)(H)2	Ga(NH3)(NHH)2(NH)2(Cl)	N(GaClN4)(H)3	N(GaClN4)(H)2	91.0373	0.000	1	91.0373	0.000	1	91.0373	0.000	1	91.0373	0.000	1	91.0373	0.000	1	91.0373	0.000	1
530	893	893	0:SPD6_SP3_SP3	Ga	O	O	2:2:2:2:2:2:	6:3:	6:3:	O-2:O-2:O-2:O-2:O-2:O-2:	Ga-6:S-3:	Ga-6:S-3:	Ga(OS)6	O(GaO5)(SCC)	O(GaO5)(SCC)	Ga(OS)6	O(GaO5)(SCC)	O(GaO5)(SCC)	120.0000	51.993	3	120.0000	2703.301	3	120.0000	2703.301	3	120.0000	2703.301	3	120.0000	2703.301	3	120.0000	2703.301	3
530	941	941	0:SPD6_SP2_SP2	Ga	N	N	3:3:2:2:2:2:	6:2:	6:2:	N[6]-3:N[6]-3:N-2:N-2:N-2:N-2:	Ga-6:C-2:	Ga-6:C-2:	Ga(N[6]C[6]2)2(NC)4	N(GaN[6]2N3)(CS)	N(GaN[6]2N3)(CS)	Ga(N[6]C[6]2)2(NC)4	N(GaN[6]2N3)(CS)	N(GaN[6]2N3)(CS)	120.0000	45.001	9	120.0000	2025.133	9	120.0000	2025.133	9	120.0000	2025.133	9	125.9302	2151.791	10	125.9302	2151.791	10
530	941	941	0:SPD6_SP2_SP2	Ga	N	N	4:3:3:2:2:1:	6:1:	6:1:	N-4:N-3:N-3:N-2:N-2:Cl-1:	Ga-6:H-1:	Ga-6:H-1:	Ga(NH3)(NHH)2(NH)2(Cl)	N(GaClN4)(H)	N(GaClN4)(H)	Ga(NH3)(NHH)2(NH)2(Cl)	N(GaClN4)(H)	N(GaClN4)(H)	179.3020	0.000	1	179.3020	0.000	1	179.3020	0.000	1	179.3020	0.000	1	125.9302	2151.791	10	125.9302	2151.791	10
530	941	956	0:SPD6_SP2_SP3	Ga	N	N	4:3:3:2:2:1:	6:1:	6:1:1:	N-4:N-3:N-3:N-2:N-2:Cl-1:	Ga-6:H-1:	Ga-6:H-1:H-1:	Ga(NH3)(NHH)2(NH)2(Cl)	N(GaClN4)(H)	N(GaClN4)(H)2	Ga(NH3)(NHH)2(NH)2(Cl)	N(GaClN4)(H)	N(GaClN4)(H)2	90.0063	0.131	2	90.0063	0.017	2	90.0063	0.017	2	90.0063	0.017	2	90.0063	0.017	2	90.0063	0.017	2
530	956	956	0:SPD6_SP3_SP3	Ga	N	N	4:3:3:2:2:1:	6:1:1:	6:1:1:	N-4:N-3:N-3:N-2:N-2:Cl-1:	Ga-6:H-1:H-1:	Ga-6:H-1:H-1:	Ga(NH3)(NHH)2(NH)2(Cl)	N(GaClN4)(H)2	N(GaClN4)(H)2	Ga(NH3)(NHH)2(NH)2(Cl)	N(GaClN4)(H)2	N(GaClN4)(H)2	177.9170	0.000	1	177.9170	0.000	1	177.9170	0.000	1	177.9170	0.000	1	177.9170	0.000	1	177.9170	0.000	1
537	3	519	5:SP2_SP2_SP2	O[5a]	B[5a]	N[5a]	3:2:	3:3:2:	3:2:	B[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](B[5a]C[5a]N[5a])(N[5a]C[5a])	B[5a](C[5a]C[5a]2)(N[5a]C[5a]H)(O[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]B[5a])	O[5a](B[5a]C[5a]N[5a])(N[5a]C[5a]){1|H<1>,3|C<3>}	B[5a](C[5a]C[5a]2)(N[5a]C[5a]H)(O[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(O[5a]B[5a]){1|H<1>,3|C<3>}	108.4940	0.000	1	108.4940	0.000	1	108.4940	0.000	1	108.4940	0.000	1	108.4940	0.000	1	108.4940	0.000	1
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a,6]	C[5a]	3:3:	3:3:2:	3:2:1:	B[5a,6]-3:C[5a]-3:	N[5,5a,6]-3:C[6,6a]-3:O[5a]-2:	N[5,5a]-3:O[5a]-2:O-1:	O[5a](B[5a,6]N[5,5a,6]C[6,6a])(C[5a]N[5,5a]O)	B[5a,6](N[5,5a,6]C[5,6,6]N[5,5a])(C[6,6a]C[6,6a]C[6a])(O[5a]C[5a])	C[5a](N[5,5a]N[5,5a,6]B[5])(O[5a]B[5a,6])(O)	O[5a](B[5a,6]N[5,5a,6]C[6,6a])(C[5a]N[5,5a]O){1|B<3>,1|C<4>,2|C<3>}	B[5a,6](N[5,5a,6]C[5,6,6]N[5,5a])(C[6,6a]C[6,6a]C[6a])(O[5a]C[5a]){1|B<3>,1|O<1>,2|C<4>,4|C<3>}	C[5a](N[5,5a]N[5,5a,6]B[5])(O[5a]B[5a,6])(O){2|C<3>,2|C<4>}	108.4640	0.000	1	108.4640	0.000	1	108.4640	0.000	1	108.4640	0.000	1	108.4640	0.000	1	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	2:2:1:	3:3:2:	C[5a,6a]-3:B[5a]-3:	O[5a]-2:O[5a]-2:Br-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]Br)	B[5a](O[5a]C[5a,6a])2(Br)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]Br){1|H<1>,2|C<3>}	B[5a](O[5a]C[5a,6a])2(Br){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Br<1>,1|C<3>,2|H<1>}	103.8650	0.000	1	103.8650	0.000	1	103.8650	0.000	1	104.2950	0.327	6	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	2:2:1:	3:3:2:	C[5a,6a]-3:B[5a]-3:	O[5a]-2:O[5a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]Cl)	B[5a](O[5a]C[5a,6a])2(Cl)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]Cl){1|H<1>,2|C<3>}	B[5a](O[5a]C[5a,6a])2(Cl){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|O<2>}	104.0920	0.057	2	104.0920	0.003	2	103.9637	0.051	3	104.2950	0.327	6	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	2:2:1:	3:3:2:	C[5a,6a]-3:B[5a]-3:	O[5a]-2:O[5a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]Cl)	B[5a](O[5a]C[5a,6a])2(Cl)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]Cl){1|H<1>,2|C<3>}	B[5a](O[5a]C[5a,6a])2(Cl){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Cl<1>,1|C<3>,2|H<1>}	103.7070	0.000	1	103.7070	0.000	1	103.9637	0.051	3	104.2950	0.327	6	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	2:2:1:	3:3:2:	C[5a,6a]-3:B[5a]-3:	O[5a]-2:O[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]H)	B[5a](O[5a]C[5a,6a])2(H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]H){1|H<1>,2|C<3>}	B[5a](O[5a]C[5a,6a])2(H){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a]){1|C<3>,1|O<2>,2|H<1>}	105.0070	0.055	2	105.0070	0.003	2	105.0070	0.003	2	104.2950	0.327	6	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	2:2:2:	3:3:2:	C[5a,6a]-3:B[5a]-3:	O[5a]-2:O[5a]-2:C-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]C)	B[5a](O[5a]C[5a,6a])2(CMo)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]C){1|H<1>,2|C<3>}	B[5a](O[5a]C[5a,6a])2(CMo){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<2>,1|C<3>,2|H<1>}	105.3700	0.214	2	105.3700	0.046	2	105.3700	0.046	2	104.5386	1.133	10	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	2:2:2:	3:3:2:	C[5a,6a]-3:B[5a]-3:	O[5a]-2:O[5a]-2:N-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]N)	B[5a](O[5a]C[5a,6a])2(NN)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]N){1|H<1>,2|C<3>}	B[5a](O[5a]C[5a,6a])2(NN){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,1|N<2>,2|H<1>}	103.9870	0.141	2	103.9870	0.020	2	103.9870	0.020	2	104.5386	1.133	10	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	2:2:2:	3:3:2:	C[5a,6a]-3:B[5a]-3:	O[5a]-2:O[5a]-2:O-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]O)	B[5a](O[5a]C[5a,6a])2(OC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]O){1|H<1>,2|C<3>}	B[5a](O[5a]C[5a,6a])2(OC){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,1|O<2>,2|H<1>}	104.2600	0.378	2	104.2600	0.143	2	104.4453	1.617	6	104.5386	1.133	10	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	2:2:2:	3:3:2:	C[5a,6a]-3:B[5a]-3:	O[5a]-2:O[5a]-2:O-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]O)	B[5a](O[5a]C[5a,6a])2(OP)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]O){1|H<1>,2|C<3>}	B[5a](O[5a]C[5a,6a])2(OP){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,1|O<2>,2|H<1>}	103.9460	0.122	2	103.9460	0.015	2	104.4453	1.617	6	104.5386	1.133	10	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	2:2:2:	3:3:2:	C[5a,6a]-3:B[5a]-3:	O[5a]-2:O[5a]-2:O-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]O)	B[5a](O[5a]C[5a,6a])2(ORe)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]O){1|H<1>,2|C<3>}	B[5a](O[5a]C[5a,6a])2(ORe){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,1|O<2>,2|H<1>}	105.1300	2.534	2	105.1300	6.423	2	104.4453	1.617	6	104.5386	1.133	10	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:B[5a]-3:	O[5a]-2:O[5a]-2:B-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]B)	B[5a](O[5a]C[5a,6a])2(BC[5]B)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]B){1|H<1>,2|C<3>}	B[5a](O[5a]C[5a,6a])2(BC[5]B){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|B<3>,1|C<3>,2|H<1>}	106.9570	0.422	4	106.9570	0.178	4	106.9570	0.178	4	105.1366	0.575	64	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:B[5a]-3:	O[5a]-2:O[5a]-2:B[5]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]B[5])	B[5a](O[5a]C[5a,6a])2(B[5]N[5]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]B[5]){1|H<1>,2|C<3>,2|N<3>}	B[5a](O[5a]C[5a,6a])2(B[5]N[5]2){2|C<3>,4|C<4>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|B<3>,1|C<3>,2|H<1>}	106.0280	0.000	1	106.0280	0.000	1	106.0280	0.000	1	105.1366	0.575	64	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:B[5a]-3:	O[5a]-2:O[5a]-2:B[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a])	B[5a](O[5a]C[5a,6a])2(B[5a]N[5a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a]){1|H<1>,2|C<3>,2|N<3>}	B[5a](O[5a]C[5a,6a])2(B[5a]N[5a]2){2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|B<3>,1|C<3>,2|H<1>}	105.8275	0.053	2	105.8275	0.003	2	105.5265	0.147	4	105.1366	0.575	64	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:B[5a]-3:	O[5a]-2:O[5a]-2:B[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a])	B[5a](O[5a]C[5a,6a])2(B[5a]O[5a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a]){1|H<1>,2|C<3>,2|O<2>}	B[5a](O[5a]C[5a,6a])2(B[5a]O[5a]2){4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|B<3>,1|C<3>,2|H<1>}	105.2255	0.276	2	105.2255	0.076	2	105.5265	0.147	4	105.1366	0.575	64	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:B[5a]-3:	O[5a]-2:O[5a]-2:C-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]C)	B[5a](O[5a]C[5a,6a])2(CCH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]C){1|H<1>,2|C<3>}	B[5a](O[5a]C[5a,6a])2(CCH){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){2|C<3>,2|H<1>}	105.0798	0.137	6	105.0798	0.019	6	105.2229	0.121	25	105.1366	0.575	64	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:B[5a]-3:	O[5a]-2:O[5a]-2:C-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]C)	B[5a](O[5a]C[5a,6a])2(CC[6]P)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]C){1|H<1>,2|C<3>}	B[5a](O[5a]C[5a,6a])2(CC[6]P){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){2|C<3>,2|H<1>}	106.2035	0.145	2	106.2035	0.021	2	105.2229	0.121	25	105.1366	0.575	64	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:B[5a]-3:	O[5a]-2:O[5a]-2:C-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]C)	B[5a](O[5a]C[5a,6a])2(CC[6]Te)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]C){1|H<1>,2|C<3>}	B[5a](O[5a]C[5a,6a])2(CC[6]Te){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<4>,1|H<1>,2|C<3>}	105.1425	0.119	4	105.0686	0.029	8	105.2229	0.121	25	105.1366	0.575	64	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:B[5a]-3:	O[5a]-2:O[5a]-2:C-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]C)	B[5a](O[5a]C[5a,6a])2(CC[6]Te)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]C){1|H<1>,2|C<3>}	B[5a](O[5a]C[5a,6a])2(CC[6]Te){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){2|C<3>,2|H<1>}	104.9947	0.196	4	105.0686	0.029	8	105.2229	0.121	25	105.1366	0.575	64	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:B[5a]-3:	O[5a]-2:O[5a]-2:C-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]C)	B[5a](O[5a]C[5a,6a])2(CC[6a]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]C){1|H<1>,2|C<3>}	B[5a](O[5a]C[5a,6a])2(CC[6a]C){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){2|C<3>,2|H<1>}	105.2376	0.207	9	105.2376	0.043	9	105.2229	0.121	25	105.1366	0.575	64	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:B[5a]-3:	O[5a]-2:O[5a]-2:C[5]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]C[5])	B[5a](O[5a]C[5a,6a])2(C[5]N[5]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]C[5]){1|H<1>,2|C<3>,2|N<3>}	B[5a](O[5a]C[5a,6a])2(C[5]N[5]2){2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){2|C<3>,2|H<1>}	104.1745	0.561	6	104.1745	0.315	6	104.1745	0.315	6	105.1366	0.575	64	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:B[5a]-3:	O[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]O[5a])	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]O[5a]){5|C<3>}	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2){2|F<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a]){1|H<1>,5|C<3>}	104.1115	0.185	2	104.1115	0.034	2	104.1115	0.034	2	105.1366	0.575	64	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:B[5a]-3:	O[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a])	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]H)(O[5a]B[5a]){1|H<1>,1|O<2>,2|C<3>}	105.2950	0.204	2	105.2950	0.041	2	105.0784	0.120	12	105.1366	0.575	64	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:B[5a]-3:	O[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a])	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2){1|Br<1>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){2|C<3>,2|H<1>}	105.5060	0.218	2	105.0351	0.129	10	105.0784	0.120	12	105.1366	0.575	64	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:B[5a]-3:	O[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a])	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2){2|F<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){2|C<3>,2|H<1>}	104.8305	0.228	2	105.0351	0.129	10	105.0784	0.120	12	105.1366	0.575	64	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:B[5a]-3:	O[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a])	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]){1|H<1>,4|C<3>}	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){2|C<3>,2|H<1>}	104.9463	0.313	6	105.0351	0.129	10	105.0784	0.120	12	105.1366	0.575	64	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:B[5a]-3:	O[5a]-2:O[5a]-2:N-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]N)	B[5a](O[5a]C[5a,6a])2(NC[6a]C)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]N){1|H<1>,2|C<3>}	B[5a](O[5a]C[5a,6a])2(NC[6a]C){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,1|N<3>,2|H<1>}	104.5735	0.250	4	104.5735	0.063	4	104.8295	0.238	6	105.1366	0.575	64	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:B[5a]-3:	O[5a]-2:O[5a]-2:N-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]N)	B[5a](O[5a]C[5a,6a])2(NSiB)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]N){1|H<1>,2|C<3>}	B[5a](O[5a]C[5a,6a])2(NSiB){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,1|N<3>,2|H<1>}	105.3415	0.462	2	105.3415	0.213	2	104.8295	0.238	6	105.1366	0.575	64	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:B[5a]-3:	O[5a]-2:O[5a]-2:N[6]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]N[6])	B[5a](O[5a]C[5a,6a])2(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]N[6]){1|H<1>,4|C<3>}	B[5a](O[5a]C[5a,6a])2(N[6]C[6]2){6|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,1|N<3>,2|H<1>}	103.7045	0.128	2	103.7045	0.016	2	103.7045	0.016	2	105.1366	0.575	64	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:B[5a]-3:	O[5a]-2:O[5a]-2:Si-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]Si)	B[5a](O[5a]C[5a,6a])2(SiSi2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]Si){1|H<1>,2|C<3>}	B[5a](O[5a]C[5a,6a])2(SiSi2){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Si<3>,1|C<3>,2|H<1>}	105.8050	0.373	2	105.8050	0.139	2	105.8050	0.139	2	105.1366	0.575	64	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	2:2:4:	3:3:2:	C[5a,6a]-3:B[5a]-3:	O[5a]-2:O[5a]-2:B-4:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]B)	B[5a](O[5a]C[5a,6a])2(BC[5]BH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]B){1|H<1>,2|C<3>}	B[5a](O[5a]C[5a,6a])2(BC[5]BH){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|B<4>,1|C<3>,2|H<1>}	107.2395	0.363	2	107.2395	0.132	2	107.2395	0.132	2	104.6020	2.986	8	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	2:2:4:	3:3:2:	C[5a,6a]-3:B[5a]-3:	O[5a]-2:O[5a]-2:N-4:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]N)	B[5a](O[5a]C[5a,6a])2(NC3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]N){1|H<1>,2|C<3>}	B[5a](O[5a]C[5a,6a])2(NC3){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,1|N<4>,2|H<1>}	103.5105	0.747	4	103.5105	0.557	4	103.5105	0.557	4	104.6020	2.986	8	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	2:2:4:	3:3:2:	C[5a,6a]-3:B[5a]-3:	O[5a]-2:O[5a]-2:P-4:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]P)	B[5a](O[5a]C[5a,6a])2(PC3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]P){1|H<1>,2|C<3>}	B[5a](O[5a]C[5a,6a])2(PC3){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,1|P<4>,2|H<1>}	104.1475	0.081	2	104.1475	0.007	2	104.1475	0.007	2	104.6020	2.986	8	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	3:2:2:	3:3:2:	C[5a,6a]-3:B[5a]-3:	C[5a]-3:O[5a]-2:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a]O[5a])	B[5a](C[5a]C[5a,6a]C[5a])(O[5a]C[5a,6a])2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[5a]O[5a]){1|H<1>,4|C<3>}	B[5a](C[5a]C[5a,6a]C[5a])(O[5a]C[5a,6a])2{1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){2|C<3>,2|H<1>}	105.0560	0.337	4	105.0560	0.114	4	105.0560	0.114	4	105.0560	0.114	4	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:B[5a]-3:	N[5a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]N[5a])	B[5a](N[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]N[5a]){6|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|F<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a]){1|H<1>,6|C<3>}	105.7790	0.000	1	105.7790	0.000	1	105.7790	0.000	1	105.7790	0.000	1	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:B[5a]-3:	B[5a]-3:N[5a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])	B[5a](B[5a]N[5a]O[5a])(N[5a]C[5a,6a]C)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	B[5a](B[5a]N[5a]O[5a])(N[5a]C[5a,6a]C)(O[5a]C[5a,6a]){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|B<3>,1|C<3>,1|C<4>,2|H<1>}	107.2710	0.000	1	107.2710	0.000	1	107.0980	0.060	2	107.0980	0.060	2	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:B[5a]-3:	B[5a]-3:N[5a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a])	B[5a](B[5a]N[5a]O[5a])(N[5a]C[5a,6a]H)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]N[5a]){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	B[5a](B[5a]N[5a]O[5a])(N[5a]C[5a,6a]H)(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|B<3>,1|C<3>,3|H<1>}	106.9250	0.000	1	106.9250	0.000	1	107.0980	0.060	2	107.0980	0.060	2	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	4:2:2:	3:3:2:	C[5a,6a]-3:B[5a]-3:	B[5a]-4:O[5a]-2:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a])	B[5a](B[5a]O[5a]2C[5])(O[5a]C[5a,6a])2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a]){1|H<1>,2|O<2>,3|C<3>}	B[5a](B[5a]O[5a]2C[5])(O[5a]C[5a,6a])2{2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|B<4>,1|C<3>,2|H<1>}	106.1000	0.278	4	106.1000	0.077	4	106.1000	0.077	4	105.5442	0.170	14	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	4:2:2:	3:3:2:	C[5a,6a]-3:B[5a]-3:	C[5]-4:O[5a]-2:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]C[5])	B[5a](C[5]B[5a]C[5]N[5])(O[5a]C[5a,6a])2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]C[5]){1|B<3>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	B[5a](C[5]B[5a]C[5]N[5])(O[5a]C[5a,6a])2{2|O<2>,3|C<3>,4|C<4>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,1|C<4>,2|H<1>}	105.3773	0.150	4	105.3773	0.023	4	105.3773	0.023	4	105.5442	0.170	14	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	4:2:2:	3:3:2:	C[5a,6a]-3:B[5a]-3:	C[6,6]-4:O[5a]-2:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6,6]O[5a])	B[5a](C[6,6]C[3x6]N[6,6]H)(O[5a]C[5a,6a])2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6,6]O[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	B[5a](C[6,6]C[3x6]N[6,6]H)(O[5a]C[5a,6a])2{3|C<3>,4|C<4>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,1|C<4>,2|H<1>}	105.3332	0.195	4	105.3332	0.038	4	105.3332	0.038	4	105.5442	0.170	14	105.0874	0.851	109	105.1181	0.947	110
537	3	727	5:SP2_SP2_SP2	O[5a]	B[5a]	C[5a,6a]	3:3:	4:2:2:	3:3:2:	C[5a,6a]-3:B[5a]-3:	C[6]-4:O[5a]-2:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]C[6])	B[5a](C[6]C[6a]C[6]P[6])(O[5a]C[5a,6a])2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]C[6]){1|C<4>,1|H<1>,1|P<3>,3|C<3>}	B[5a](C[6]C[6a]C[6]P[6])(O[5a]C[5a,6a])2{1|Fe<10>,1|H<1>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,1|C<4>,2|H<1>}	105.1885	0.121	2	105.1885	0.015	2	105.1885	0.015	2	105.5442	0.170	14	105.0874	0.851	109	105.1181	0.947	110
537	113	727	5:SP2_SP2_SP3	O[5a]	B[4,5a]	C[5a,6a]	3:4:	2:2:3:3:	3:2:3:	C[5a,6a]-3:B[4,5a]-4:	O[5a]-2:O[5a]-2:N[4]-3:N[4]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[4,5a]O[5a]N[4]2)	B[4,5a](O[5a]C[5a,6a])2(N[4]B[4,5a]N)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[4,5a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[4,5a]O[5a]N[4]2){1|B<4>,1|H<1>,2|C<3>,2|N<2>}	B[4,5a](O[5a]C[5a,6a])2(N[4]B[4,5a]N)2{2|C<3>,2|O<2>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[4,5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>}	107.1208	0.451	4	107.1208	0.203	4	107.1208	0.203	4	107.1208	0.203	4	106.2430	0.684	10	106.2430	0.684	10
537	113	727	5:SP2_SP2_SP3	O[5a]	B[4,5a]	C[5a,6a]	3:4:	4:4:2:2:	3:2:3:	C[5a,6a]-3:B[4,5a]-4:	N[4,5]-4:N[4,5]-4:O[5a]-2:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[4,5a]N[4,5]2O[5a])	B[4,5a](N[4,5]B[4,5a]C[5]2)2(O[5a]C[5a,6a])2	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[4,5a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[4,5a]N[4,5]2O[5a]){1|B<4>,1|H<1>,2|C<3>,4|C<4>}	B[4,5a](N[4,5]B[4,5a]C[5]2)2(O[5a]C[5a,6a])2{2|C<3>,2|O<2>,4|C<4>,8|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[4,5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<4>}	105.4892	0.146	4	105.4892	0.021	4	105.4892	0.021	4	105.4892	0.021	4	106.2430	0.684	10	106.2430	0.684	10
537	113	727	5:SP2_SP2_SP3	O[5a]	B[4,5a]	C[5a,6a]	4:3:	4:3:2:2:	3:2:3:	B[4,5a]-4:C[5a,6a]-3:	N[4,5,5]-4:N[4]-3:O[5a]-2:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](B[4,5a]N[4,5,5]O[5a]N[4])(C[5a,6a]C[5a,6a]C[6a])	B[4,5a](N[4,5,5]P[4,5,5]C[5]2)(N[4]P[4,5,5]C[6a])(O[5a]C[5a,6a])2	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[4,5a])(C[6a]C[6a]H)	O[5a](B[4,5a]N[4,5,5]O[5a]N[4])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|P<5>,5|C<3>}	B[4,5a](N[4,5,5]P[4,5,5]C[5]2)(N[4]P[4,5,5]C[6a])(O[5a]C[5a,6a])2{2|H<1>,3|O<2>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[4,5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|N<4>,2|H<1>}	105.9950	0.095	2	105.9950	0.009	2	105.9950	0.009	2	105.9950	0.009	2	106.2430	0.684	10	106.2430	0.684	10
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a,5a]-3:O[5a]-2:	C[5a,5a]-3:O[5a]-2:	O[5a](N[5a]C[5a,5a])2	N[5a](C[5a,5a]C[5a,5a]N[5a])(O[5a]N[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(O[5a]N[5a])	O[5a](N[5a]C[5a,5a])2{2|N<2>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(O[5a]N[5a]){1|N<2>,1|N<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(O[5a]N[5a]){1|N<2>,1|N<3>}	114.7940	0.000	1	114.7940	0.000	1	114.7940	0.000	1	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a,6]-3:O[5a]-2:	C[5a,6]-3:O[5a]-2:	O[5a](N[5a]C[5a,6])2	N[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6,6])(O[5a]N[5a])	O[5a](N[5a]C[5a,6])2{1|C<3>,1|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>}	N[5a](C[5a,6]C[5a,6]C[6,6])(O[5a]N[5a]){1|N<3>,3|C<3>}	110.9830	0.000	1	110.9830	0.000	1	111.3268	0.302	11	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a,6]-3:O[5a]-2:	C[5a,6]-3:O[5a]-2:	O[5a](N[5a]C[5a,6])2	N[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])	O[5a](N[5a]C[5a,6])2{2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a]){2|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a]){4|C<4>}	110.4770	0.066	2	110.4770	0.004	2	111.3268	0.302	11	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a,6]-3:O[5a]-2:	C[5a,6]-3:O[5a]-2:	O[5a](N[5a]C[5a,6])2	N[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])	N[5a](C[5a,6]C[5a,6]N[6])(O[5a]N[5a])	O[5a](N[5a]C[5a,6])2{1|C<3>,1|N<2>}	N[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a]){1|N<2>,2|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(O[5a]N[5a]){2|C<3>}	112.2760	0.000	1	111.9775	0.178	2	111.3268	0.302	11	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a,6]-3:O[5a]-2:	C[5a,6]-3:O[5a]-2:	O[5a](N[5a]C[5a,6])2	N[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])	N[5a](C[5a,6]C[5a,6]N[6])(O[5a]N[5a])	O[5a](N[5a]C[5a,6])2{1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a]){1|N<2>,2|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(O[5a]N[5a]){1|H<1>,2|C<3>}	111.6790	0.000	1	111.9775	0.178	2	111.3268	0.302	11	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a,6]-3:O[5a]-2:	C[5a,6]-3:O[5a]-2:	O[5a](N[5a]C[5a,6])2	N[5a](C[5a,6]C[5a,6]N[6])(O[5a]N[5a])	N[5a](C[5a,6]C[5a,6]N[6])(O[5a]N[5a])	O[5a](N[5a]C[5a,6])2{1|N<2>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(O[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a,6]C[5a,6]N[6])(O[5a]N[5a]){1|C<3>,1|N<3>}	111.6240	0.000	1	111.4505	0.066	6	111.3268	0.302	11	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a,6]-3:O[5a]-2:	C[5a,6]-3:O[5a]-2:	O[5a](N[5a]C[5a,6])2	N[5a](C[5a,6]C[5a,6]N[6])(O[5a]N[5a])	N[5a](C[5a,6]C[5a,6]N[6])(O[5a]N[5a])	O[5a](N[5a]C[5a,6])2{2|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(O[5a]N[5a]){1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(O[5a]N[5a]){1|N<3>,2|C<3>}	111.4350	0.066	2	111.4505	0.066	6	111.3268	0.302	11	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a,6]-3:O[5a]-2:	C[5a,6]-3:O[5a]-2:	O[5a](N[5a]C[5a,6])2	N[5a](C[5a,6]C[5a,6]N[6])(O[5a]N[5a])	N[5a](C[5a,6]C[5a,6]N[6])(O[5a]N[5a])	O[5a](N[5a]C[5a,6])2{2|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(O[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(O[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>}	111.3460	0.000	1	111.4505	0.066	6	111.3268	0.302	11	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a,6]-3:O[5a]-2:	C[5a,6]-3:O[5a]-2:	O[5a](N[5a]C[5a,6])2	N[5a](C[5a,6]C[5a,6]N[6])(O[5a]N[5a])	N[5a](C[5a,6]C[5a,6]N[6])(O[5a]N[5a])	O[5a](N[5a]C[5a,6])2{2|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(O[5a]N[5a]){1|N<3>,2|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(O[5a]N[5a]){1|N<3>,2|C<3>}	111.4315	0.534	2	111.4505	0.066	6	111.3268	0.302	11	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:	O[5a](N[5a]C[5a,6a])2	N[5a](C[5a,6a]C[5a,6a]2)(O[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]2)(O[5a]N[5a])	O[5a](N[5a]C[5a,6a])2{2|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(O[5a]N[5a]){3|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(O[5a]N[5a]){3|C<3>}	112.1180	0.000	1	112.1180	0.000	1	112.5681	0.168	31	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:	O[5a](N[5a]C[5a,6a])2	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	O[5a](N[5a]C[5a,6a])2{2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]N[5a]){3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){3|C<3>}	112.5010	0.000	1	112.5010	0.000	1	112.5681	0.168	31	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:	O[5a](N[5a]C[5a,6a])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	O[5a](N[5a]C[5a,6a])2{2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){1|Br<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){1|Br<1>,2|C<3>}	112.3160	0.000	1	112.5389	0.176	24	112.5681	0.168	31	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:	O[5a](N[5a]C[5a,6a])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	O[5a](N[5a]C[5a,6a])2{2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){1|C<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){3|C<3>}	112.2343	0.151	3	112.5389	0.176	24	112.5681	0.168	31	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:	O[5a](N[5a]C[5a,6a])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	O[5a](N[5a]C[5a,6a])2{2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){1|H<1>,2|C<3>}	112.4023	0.150	3	112.5389	0.176	24	112.5681	0.168	31	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:	O[5a](N[5a]C[5a,6a])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	O[5a](N[5a]C[5a,6a])2{2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){1|N<3>,2|C<3>}	112.5650	0.000	1	112.5389	0.176	24	112.5681	0.168	31	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:	O[5a](N[5a]C[5a,6a])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	O[5a](N[5a]C[5a,6a])2{2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){1|N<3>,2|C<3>}	112.6252	0.275	9	112.5389	0.176	24	112.5681	0.168	31	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:	O[5a](N[5a]C[5a,6a])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	O[5a](N[5a]C[5a,6a])2{2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){1|S<2>,2|C<3>}	112.9510	0.017	2	112.5389	0.176	24	112.5681	0.168	31	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:	O[5a](N[5a]C[5a,6a])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	O[5a](N[5a]C[5a,6a])2{2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){3|C<3>}	113.0250	0.442	3	112.5389	0.176	24	112.5681	0.168	31	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:	O[5a](N[5a]C[5a,6a])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])	O[5a](N[5a]C[5a,6a])2{2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a]){3|C<3>}	111.7695	0.524	2	112.5389	0.176	24	112.5681	0.168	31	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:	O[5a](N[5a]C[5a,6a])2	N[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]N[5a])	O[5a](N[5a]C[5a,6a])2{2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]N[5a]){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]N[5a]){1|C<3>,1|N<2>}	112.8116	0.347	5	112.8116	0.121	5	112.5681	0.168	31	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]2)(O[5a]N[5a])	N[5a](C[5a]C[5a]2)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{2|C<3>}	N[5a](C[5a]C[5a]2)(O[5a]N[5a]){1|C<3>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]2)(O[5a]N[5a]){1|C<3>,1|N<2>,1|N<3>}	110.8705	0.172	2	111.0277	0.083	4	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]2)(O[5a]N[5a])	N[5a](C[5a]C[5a]2)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{2|C<3>}	N[5a](C[5a]C[5a]2)(O[5a]N[5a]){1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]2)(O[5a]N[5a]){1|N<2>,2|C<3>}	111.1850	0.349	2	111.0277	0.083	4	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]2)(O[5a]N[5a])	N[5a](C[5a]C[5a]N)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]2)(O[5a]N[5a]){1|C<3>,2|N<2>}	N[5a](C[5a]C[5a]N)(O[5a]N[5a]){1|C<3>}	111.0510	0.000	1	111.1933	0.131	43	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]2)(O[5a]N[5a])	N[5a](C[5a]C[5a]N)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]2)(O[5a]N[5a]){1|N<3>,2|N<2>}	N[5a](C[5a]C[5a]N)(O[5a]N[5a]){1|C<3>}	111.3788	0.266	11	111.1933	0.131	43	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]2)(O[5a]N[5a])	N[5a](C[5a]C[5a]N)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]2)(O[5a]N[5a]){1|O<2>,2|N<2>}	N[5a](C[5a]C[5a]N)(O[5a]N[5a]){1|C<3>}	111.9600	0.000	1	111.1933	0.131	43	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]2)(O[5a]N[5a])	N[5a](C[5a]C[5a]N)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]2)(O[5a]N[5a]){3|N<2>}	N[5a](C[5a]C[5a]N)(O[5a]N[5a]){1|C<3>}	111.2828	0.381	9	111.1933	0.131	43	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]2)(O[5a]N[5a])	N[5a](C[5a]C[5a]N)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]2)(O[5a]N[5a]){1|C<3>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N)(O[5a]N[5a]){1|C<3>}	110.8128	0.309	6	111.1933	0.131	43	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]2)(O[5a]N[5a])	N[5a](C[5a]C[5a]N)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]2)(O[5a]N[5a]){1|N<2>,1|N<3>,1|O<2>}	N[5a](C[5a]C[5a]N)(O[5a]N[5a]){1|C<3>}	110.9650	0.000	1	111.1933	0.131	43	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]2)(O[5a]N[5a])	N[5a](C[5a]C[5a]N)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]2)(O[5a]N[5a]){1|N<2>,2|N<3>}	N[5a](C[5a]C[5a]N)(O[5a]N[5a]){1|C<3>}	111.0551	0.326	8	111.1933	0.131	43	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]2)(O[5a]N[5a])	N[5a](C[5a]C[5a]N)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]2)(O[5a]N[5a]){1|N<3>,2|N<2>}	N[5a](C[5a]C[5a]N)(O[5a]N[5a]){1|C<3>}	111.2175	0.225	6	111.1933	0.131	43	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]2)(O[5a]N[5a])	N[5a](C[5a]C[5a]O)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{1|C<3>,1|O<2>}	N[5a](C[5a]C[5a]2)(O[5a]N[5a]){1|N<2>,1|N<3>,1|O<2>}	N[5a](C[5a]C[5a]O)(O[5a]N[5a]){1|C<3>}	111.8570	0.023	2	111.8570	0.001	2	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]C)(O[5a]N[5a])	N[5a](C[5a]C[5a]C)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{2|C<3>}	N[5a](C[5a]C[5a]C)(O[5a]N[5a]){1|C<3>}	N[5a](C[5a]C[5a]C)(O[5a]N[5a]){1|C<3>}	110.6905	0.397	2	110.6905	0.157	2	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]C)(O[5a]N[5a])	N[5a](C[5a]C[5a]N)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]C)(O[5a]N[5a]){1|N<2>}	N[5a](C[5a]C[5a]N)(O[5a]N[5a]){1|C<3>}	111.0760	0.399	3	110.8864	0.204	20	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]C)(O[5a]N[5a])	N[5a](C[5a]C[5a]N)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]C)(O[5a]N[5a]){1|N<3>}	N[5a](C[5a]C[5a]N)(O[5a]N[5a]){1|C<3>}	110.6856	0.341	12	110.8864	0.204	20	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]C)(O[5a]N[5a])	N[5a](C[5a]C[5a]N)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{1|C<4>,1|N<2>}	N[5a](C[5a]C[5a]C)(O[5a]N[5a]){1|N<2>}	N[5a](C[5a]C[5a]N)(O[5a]N[5a]){1|C<4>}	111.4813	0.176	3	110.8864	0.204	20	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]C)(O[5a]N[5a])	N[5a](C[5a]C[5a]N)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]C)(O[5a]N[5a]){1|N<3>}	N[5a](C[5a]C[5a]N)(O[5a]N[5a]){1|C<4>}	110.9145	0.747	2	110.8864	0.204	20	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]C)(O[5a]N[5a])	N[5a](C[5a]C[5a]O)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{1|C<2>,1|O<2>}	N[5a](C[5a]C[5a]C)(O[5a]N[5a]){1|O<2>}	N[5a](C[5a]C[5a]O)(O[5a]N[5a]){1|C<2>}	111.8957	0.288	6	111.6609	0.123	15	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]C)(O[5a]N[5a])	N[5a](C[5a]C[5a]O)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{1|C<3>,1|O<2>}	N[5a](C[5a]C[5a]C)(O[5a]N[5a]){1|O<2>}	N[5a](C[5a]C[5a]O)(O[5a]N[5a]){1|C<3>}	111.4250	0.167	5	111.6609	0.123	15	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]C)(O[5a]N[5a])	N[5a](C[5a]C[5a]O)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{1|C<4>,1|O<2>}	N[5a](C[5a]C[5a]C)(O[5a]N[5a]){1|O<2>}	N[5a](C[5a]C[5a]O)(O[5a]N[5a]){1|C<4>}	111.6038	0.435	4	111.6609	0.123	15	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]C[3])(O[5a]N[5a])	N[5a](C[5a]C[5a]N)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{1|C<4>,1|N<2>}	N[5a](C[5a]C[5a]C[3])(O[5a]N[5a]){1|H<1>,1|N<2>,2|C<4>}	N[5a](C[5a]C[5a]N)(O[5a]N[5a]){1|C<4>}	110.9110	0.000	1	110.9110	0.000	1	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]C[5])(O[5a]N[5a])	N[5a](C[5a]C[5a]N)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]C[5])(O[5a]N[5a]){1|N<3>,2|N<2>}	N[5a](C[5a]C[5a]N)(O[5a]N[5a]){1|C<3>}	110.9480	0.000	1	111.4926	1.681	14	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]C[5])(O[5a]N[5a])	N[5a](C[5a]C[5a]N)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]C[5])(O[5a]N[5a]){1|O<2>,2|N<2>}	N[5a](C[5a]C[5a]N)(O[5a]N[5a]){1|C<3>}	111.4500	0.000	1	111.4926	1.681	14	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]C[5])(O[5a]N[5a])	N[5a](C[5a]C[5a]N)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]C[5])(O[5a]N[5a]){3|N<2>}	N[5a](C[5a]C[5a]N)(O[5a]N[5a]){1|C<3>}	112.4938	2.216	4	111.4926	1.681	14	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]C[5])(O[5a]N[5a])	N[5a](C[5a]C[5a]N)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]C[5])(O[5a]N[5a]){1|C<3>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N)(O[5a]N[5a]){1|C<3>}	111.3350	0.413	2	111.4926	1.681	14	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]C[5])(O[5a]N[5a])	N[5a](C[5a]C[5a]N)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]C[5])(O[5a]N[5a]){1|C<3>,2|N<3>}	N[5a](C[5a]C[5a]N)(O[5a]N[5a]){1|C<3>}	111.2355	0.466	2	111.4926	1.681	14	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]C[5])(O[5a]N[5a])	N[5a](C[5a]C[5a]N)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]C[5])(O[5a]N[5a]){1|N<2>,2|N<3>}	N[5a](C[5a]C[5a]N)(O[5a]N[5a]){1|C<3>}	111.1240	0.000	1	111.4926	1.681	14	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]C[5])(O[5a]N[5a])	N[5a](C[5a]C[5a]N)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]C[5])(O[5a]N[5a]){1|N<3>,2|N<2>}	N[5a](C[5a]C[5a]N)(O[5a]N[5a]){1|C<3>}	110.7527	0.481	3	111.4926	1.681	14	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]C[5])(O[5a]N[5a])	N[5a](C[5a]C[5a]O)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{1|C<3>,1|O<2>}	N[5a](C[5a]C[5a]C[5])(O[5a]N[5a]){1|C<3>,1|N<2>,1|O<2>}	N[5a](C[5a]C[5a]O)(O[5a]N[5a]){1|C<3>}	110.9880	0.000	1	111.2314	0.096	8	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]C[5])(O[5a]N[5a])	N[5a](C[5a]C[5a]O)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{1|C<3>,1|O<2>}	N[5a](C[5a]C[5a]C[5])(O[5a]N[5a]){1|C<3>,1|N<3>,1|O<2>}	N[5a](C[5a]C[5a]O)(O[5a]N[5a]){1|C<3>}	111.1210	0.000	1	111.2314	0.096	8	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]C[5])(O[5a]N[5a])	N[5a](C[5a]C[5a]O)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{1|C<3>,1|O<2>}	N[5a](C[5a]C[5a]C[5])(O[5a]N[5a]){1|O<2>,2|N<2>}	N[5a](C[5a]C[5a]O)(O[5a]N[5a]){1|C<3>}	111.2903	0.341	6	111.2314	0.096	8	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6])(O[5a]N[5a])	N[5a](C[5a]C[5a]N)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]C[6])(O[5a]N[5a]){1|O<2>,2|N<2>}	N[5a](C[5a]C[5a]N)(O[5a]N[5a]){1|C<3>}	111.2780	0.442	8	111.3478	0.214	12	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6])(O[5a]N[5a])	N[5a](C[5a]C[5a]N)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]C[6])(O[5a]N[5a]){1|N<2>,1|N<3>,1|O<2>}	N[5a](C[5a]C[5a]N)(O[5a]N[5a]){1|C<3>}	111.5200	0.293	2	111.3478	0.214	12	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6])(O[5a]N[5a])	N[5a](C[5a]C[5a]N)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]C[6])(O[5a]N[5a]){1|O<2>,2|N<3>}	N[5a](C[5a]C[5a]N)(O[5a]N[5a]){1|C<3>}	111.4545	0.885	2	111.3478	0.214	12	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])	N[5a](C[5a]C[5a]C)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(O[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]C)(O[5a]N[5a]){1|C<3>}	110.6830	0.000	1	110.6830	0.000	1	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])	O[5a](N[5a]C[5a])2{2|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]N[5a]){1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]N[5a]){1|N<2>,2|C<3>}	111.0255	0.325	2	111.0255	0.105	2	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]Cl)(O[5a]N[5a])	N[5a](C[5a]C[5a]N)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{1|Cl<1>,1|N<2>}	N[5a](C[5a]C[5a]Cl)(O[5a]N[5a]){1|N<2>}	N[5a](C[5a]C[5a]N)(O[5a]N[5a]){1|Cl<1>}	111.8860	0.000	1	111.8860	0.000	1	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]N)(O[5a]N[5a])	N[5a](C[5a]C[5a]N)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N)(O[5a]N[5a]){1|N<2>}	N[5a](C[5a]C[5a]N)(O[5a]N[5a]){1|N<3>}	111.5012	0.401	5	111.3159	0.453	26	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]N)(O[5a]N[5a])	N[5a](C[5a]C[5a]N)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{2|N<2>}	N[5a](C[5a]C[5a]N)(O[5a]N[5a]){1|N<2>}	N[5a](C[5a]C[5a]N)(O[5a]N[5a]){1|N<2>}	111.6810	0.190	9	111.3159	0.453	26	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]N)(O[5a]N[5a])	N[5a](C[5a]C[5a]N)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{2|N<3>}	N[5a](C[5a]C[5a]N)(O[5a]N[5a]){1|N<3>}	N[5a](C[5a]C[5a]N)(O[5a]N[5a]){1|N<3>}	110.9649	0.829	12	111.3159	0.453	26	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]N)(O[5a]N[5a])	N[5a](C[5a]C[5a]O)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{1|N<2>,1|O<2>}	N[5a](C[5a]C[5a]N)(O[5a]N[5a]){1|O<2>}	N[5a](C[5a]C[5a]O)(O[5a]N[5a]){1|N<2>}	111.8950	0.000	1	111.1195	0.390	6	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]N)(O[5a]N[5a])	N[5a](C[5a]C[5a]O)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{1|N<3>,1|O<2>}	N[5a](C[5a]C[5a]N)(O[5a]N[5a]){1|O<2>}	N[5a](C[5a]C[5a]O)(O[5a]N[5a]){1|N<3>}	110.9644	0.554	5	111.1195	0.390	6	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]N[5a])(O[5a]N[5a])	N[5a](C[5a]C[5a]N)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(O[5a]N[5a]){3|N<2>}	N[5a](C[5a]C[5a]N)(O[5a]N[5a]){1|N<3>}	111.4180	0.000	1	111.4180	0.000	1	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]N[6])(O[5a]N[5a])	N[5a](C[5a]C[5a]N)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[6])(O[5a]N[5a]){1|N<2>,2|C<4>}	N[5a](C[5a]C[5a]N)(O[5a]N[5a]){1|N<3>}	112.1400	0.000	1	111.8025	0.228	2	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]N[6])(O[5a]N[5a])	N[5a](C[5a]C[5a]N)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{2|N<3>}	N[5a](C[5a]C[5a]N[6])(O[5a]N[5a]){1|N<3>,2|C<4>}	N[5a](C[5a]C[5a]N)(O[5a]N[5a]){1|N<3>}	111.4650	0.000	1	111.8025	0.228	2	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	519	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	2:2:	3:2:	3:2:	N[5a]-2:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:	O[5a](N[5a]C[5a])2	N[5a](C[5a]C[5a]O)(O[5a]N[5a])	N[5a](C[5a]C[5a]O)(O[5a]N[5a])	O[5a](N[5a]C[5a])2{2|O<2>}	N[5a](C[5a]C[5a]O)(O[5a]N[5a]){1|O<2>}	N[5a](C[5a]C[5a]O)(O[5a]N[5a]){1|O<2>}	111.8730	0.000	1	111.8730	0.000	1	111.2636	0.375	161	111.4825	0.608	204	111.4825	0.608	204	111.4825	0.608	204
537	519	679	5:SP2_SP2_SP3	O[5a]	N[5a]	B[5a,5a]	4:2:	3:2:	3:2:3:2:	B[5a,5a]-4:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a,5a]-3:O[5a]-2:C[6a]-3:O[5a]-2:	O[5a](B[5a,5a]N[5a,5a]C[6a]O[5a])(N[5a]C[5a])	N[5a](C[5a]N[5a,5a]C[6a])(O[5a]B[5a,5a])	B[5a,5a](N[5a,5a]C[5a,6a]C[5a])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](B[5a,5a]N[5a,5a]C[6a]O[5a])(N[5a]C[5a]){5|C<3>}	N[5a](C[5a]N[5a,5a]C[6a])(O[5a]B[5a,5a]){1|O<2>,4|C<3>}	B[5a,5a](N[5a,5a]C[5a,6a]C[5a])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[5a]N[5a]){2|H<1>,5|C<3>}	109.9750	0.000	1	109.9750	0.000	1	109.9750	0.000	1	109.9750	0.000	1	109.9750	0.000	1	109.9750	0.000	1
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a,6]	3:2:	3:2:	3:2:2:	C[5a,6]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a,6]-3:O[5a]-2:O[6]-2:	O[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a])	N[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6])	C[5a,6](C[5a,6]C[6,6]C[5a])(O[5a]N[5a])(O[6]C[6])	O[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]){1|C<3>,2|C<4>}	N[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6]){1|C<4>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[6,6]C[5a])(O[5a]N[5a])(O[6]C[6]){2|C<3>,4|C<4>}	106.5540	0.000	1	106.5540	0.000	1	106.5540	0.000	1	106.5540	0.000	1	107.5238	0.309	27	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a,6]	3:2:	3:2:	3:3:2:	C[5a,6]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a,6]-3:C[6]-3:O[5a]-2:	O[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])	N[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]H)(O[5a]N[5a])	O[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6]){1|C<3>,1|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]H)(O[5a]N[5a]){2|C<4>,3|H<1>}	107.0120	0.000	1	107.0120	0.000	1	107.0120	0.000	1	106.7195	0.053	4	107.5238	0.309	27	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a,6]	3:2:	3:2:	3:3:2:	C[5a,6]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a,6]-3:N[6]-3:O[5a]-2:	O[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])	N[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])	C[5a,6](C[5a,6]C[5,6]C[5a])(N[6]C[6,6]H)(O[5a]N[5a])	O[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	N[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6]){1|C<4>,1|N<3>}	C[5a,6](C[5a,6]C[5,6]C[5a])(N[6]C[6,6]H)(O[5a]N[5a]){2|C<4>,3|C<3>}	106.5375	0.045	2	106.5375	0.002	2	106.6220	0.022	3	106.7195	0.053	4	107.5238	0.309	27	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a,6]	3:2:	3:2:	3:3:2:	C[5a,6]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a,6]-3:N[6]-3:O[5a]-2:	O[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])	N[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6])	C[5a,6](C[5a,6]C[5,6]C[5a])(N[6]C[6,6a]H)(O[5a]N[5a])	O[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6]){1|C<4>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5,6]C[5a])(N[6]C[6,6a]H)(O[5a]N[5a]){1|N<3>,4|C<3>}	106.7910	0.000	1	106.7910	0.000	1	106.6220	0.022	3	106.7195	0.053	4	107.5238	0.309	27	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a,6]	3:2:	3:2:	3:4:2:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:O[5a]-2:	C[5a,6,6]-3:C[6]-4:O[5a]-2:	O[5a](C[5a,6]C[5a,6,6]C[6])(N[5a]C[5a,6])	N[5a](C[5a,6]C[5a,6,6]C[6,6a])(O[5a]C[5a,6])	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(O[5a]N[5a])	O[5a](C[5a,6]C[5a,6,6]C[6])(N[5a]C[5a,6]){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6,6]C[6,6a])(O[5a]C[5a,6]){2|C<3>,2|C<4>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(O[5a]N[5a]){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	108.0820	0.000	1	108.1280	0.004	2	107.9112	0.135	4	107.7141	0.169	22	107.5238	0.309	27	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a,6]	3:2:	3:2:	3:4:2:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:O[5a]-2:	C[5a,6,6]-3:C[6]-4:O[5a]-2:	O[5a](C[5a,6]C[5a,6,6]C[6])(N[5a]C[5a,6])	N[5a](C[5a,6]C[5a,6,6]C[6,6a])(O[5a]C[5a,6])	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(O[5a]N[5a])	O[5a](C[5a,6]C[5a,6,6]C[6])(N[5a]C[5a,6]){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6,6]C[6,6a])(O[5a]C[5a,6]){2|C<3>,2|C<4>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(O[5a]N[5a]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	108.1740	0.000	1	108.1280	0.004	2	107.9112	0.135	4	107.7141	0.169	22	107.5238	0.309	27	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a,6]	3:2:	3:2:	3:4:2:	C[5a,6]-3:N[5a]-2:	C[5a,6]-3:O[5a]-2:	C[5a,6,6]-3:C[6]-4:O[5a]-2:	O[5a](C[5a,6]C[5a,6,6]C[6])(N[5a]C[5a,6])	N[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6])	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HO)(O[5a]N[5a])	O[5a](C[5a,6]C[5a,6,6]C[6])(N[5a]C[5a,6]){1|H<1>,1|O<2>,3|C<4>}	N[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6]){2|H<1>,3|C<4>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HO)(O[5a]N[5a]){2|H<1>,4|C<4>}	107.6945	0.462	2	107.6945	0.213	2	107.9112	0.135	4	107.7141	0.169	22	107.5238	0.309	27	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a,6]	3:2:	3:2:	3:4:2:	C[5a,6]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a,6]-3:C[6]-4:O[5a]-2:	O[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])	N[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6])	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O[5a]N[5a])	O[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6]){1|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O[5a]N[5a]){1|N<2>,2|C<3>,2|H<1>}	107.6020	0.000	1	107.6020	0.000	1	107.6703	0.173	18	107.7141	0.169	22	107.5238	0.309	27	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a,6]	3:2:	3:2:	3:4:2:	C[5a,6]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a,6]-3:C[6]-4:O[5a]-2:	O[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])	N[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6])	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]N[5a])	O[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6]){1|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]N[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	107.7507	0.194	4	107.8262	0.057	5	107.6703	0.173	18	107.7141	0.169	22	107.5238	0.309	27	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a,6]	3:2:	3:2:	3:4:2:	C[5a,6]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a,6]-3:C[6]-4:O[5a]-2:	O[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])	N[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6])	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]N[5a])	O[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6]){1|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]N[5a]){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	108.1280	0.000	1	107.8262	0.057	5	107.6703	0.173	18	107.7141	0.169	22	107.5238	0.309	27	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a,6]	3:2:	3:2:	3:4:2:	C[5a,6]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a,6]-3:C[6]-4:O[5a]-2:	O[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])	N[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6])	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]OO)(O[5a]N[5a])	O[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]){2|O<2>,3|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6]){1|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]OO)(O[5a]N[5a]){1|H<1>,1|O<1>,2|C<3>}	107.5650	0.151	2	107.5023	0.023	3	107.6703	0.173	18	107.7141	0.169	22	107.5238	0.309	27	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a,6]	3:2:	3:2:	3:4:2:	C[5a,6]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a,6]-3:C[6]-4:O[5a]-2:	O[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])	N[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6])	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]OO)(O[5a]N[5a])	O[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]){2|O<2>,3|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6]){1|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]OO)(O[5a]N[5a]){1|O<1>,1|O<2>,2|C<3>}	107.3770	0.000	1	107.5023	0.023	3	107.6703	0.173	18	107.7141	0.169	22	107.5238	0.309	27	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a,6]	3:2:	3:2:	3:4:2:	C[5a,6]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a,6]-3:C[6]-4:O[5a]-2:	O[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])	N[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]CC)(O[5a]N[5a])	O[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]){1|H<1>,4|C<4>}	N[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6]){2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]CC)(O[5a]N[5a]){2|C<4>,4|H<1>}	107.8650	0.283	3	107.8650	0.080	3	107.6703	0.173	18	107.7141	0.169	22	107.5238	0.309	27	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a,6]	3:2:	3:2:	3:4:2:	C[5a,6]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a,6]-3:C[6]-4:O[5a]-2:	O[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])	N[5a](C[5a]C[5a,6]O)(O[5a]C[5a,6])	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HN)(O[5a]N[5a])	O[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	N[5a](C[5a]C[5a,6]O)(O[5a]C[5a,6]){1|C<3>,1|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HN)(O[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	108.3690	0.000	1	108.1410	0.104	2	107.6703	0.173	18	107.7141	0.169	22	107.5238	0.309	27	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a,6]	3:2:	3:2:	3:4:2:	C[5a,6]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a,6]-3:C[6]-4:O[5a]-2:	O[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])	N[5a](C[5a]C[5a,6]O)(O[5a]C[5a,6])	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HN)(O[5a]N[5a])	O[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<4>,1|O<2>}	N[5a](C[5a]C[5a,6]O)(O[5a]C[5a,6]){1|C<3>,1|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HN)(O[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	107.9130	0.000	1	108.1410	0.104	2	107.6703	0.173	18	107.7141	0.169	22	107.5238	0.309	27	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a,6]	3:2:	3:2:	3:4:2:	C[5a,6]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a,6]-3:C[6]-4:O[5a]-2:	O[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])	N[5a](C[5a]C[5a,6]O)(O[5a]C[5a,6])	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]N[5a])	O[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]){1|O<2>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a,6]O)(O[5a]C[5a,6]){2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]N[5a]){1|N<4>,1|O<2>,4|H<1>}	107.9980	0.000	1	107.9980	0.000	1	107.6703	0.173	18	107.7141	0.169	22	107.5238	0.309	27	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a,6]	3:2:	3:2:	3:4:2:	C[5a,6]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a,6]-3:C[6]-4:O[5a]-2:	O[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])	N[5a](C[5a]C[5a,6]O)(O[5a]C[5a,6])	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6]HH)(O[5a]N[5a])	O[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	N[5a](C[5a]C[5a,6]O)(O[5a]C[5a,6]){2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]N[6]HH)(O[5a]N[5a]){1|C<4>,1|O<2>,4|H<1>}	106.9837	0.244	3	106.9837	0.060	3	107.6703	0.173	18	107.7141	0.169	22	107.5238	0.309	27	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a,6a]	3:2:	3:2:	3:2:2:	C[5a,6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[5,6a])(O[5a]N[5a])	O[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a]){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[5,6a])(O[5a]N[5a]){2|C<3>,2|C<4>}	107.7440	0.000	2	107.7440	0.000	2	107.4343	0.149	4	107.4343	0.149	4	107.4715	0.124	22	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a,6a]	3:2:	3:2:	3:2:2:	C[5a,6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]N[5a])	O[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a]){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	106.9470	0.000	1	106.9470	0.000	1	107.4343	0.149	4	107.4343	0.149	4	107.4715	0.124	22	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a,6a]	3:2:	3:2:	3:2:2:	C[5a,6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(O[5a]N[5a])	O[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]){3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a]){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(O[5a]N[5a]){4|C<3>}	107.3020	0.000	1	107.3020	0.000	1	107.4343	0.149	4	107.4343	0.149	4	107.4715	0.124	22	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a,6a]	3:2:	3:2:	3:3:2:	C[5a,6a]-3:N[5a]-2:	C[5a,6]-3:O[5a]-2:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6])	N[5a](C[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]N)(O[5a]N[5a])	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6]){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a]){1|C<4>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]N)(O[5a]N[5a]){1|C<3>,1|H<1>,2|C<4>}	107.1650	0.000	1	107.1650	0.000	1	107.1650	0.000	1	107.4797	0.126	18	107.4715	0.124	22	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a,6a]	3:2:	3:2:	3:3:2:	C[5a,6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]N[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){2|C<3>,2|C<4>}	N[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]N[5a]){1|C<3>,1|H<1>,2|C<4>}	107.3630	0.000	1	107.3630	0.000	1	107.4982	0.128	17	107.4797	0.126	18	107.4715	0.124	22	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a,6a]	3:2:	3:2:	3:3:2:	C[5a,6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]N[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	107.5685	0.114	4	107.5685	0.013	4	107.4982	0.128	17	107.4797	0.126	18	107.4715	0.124	22	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a,6a]	3:2:	3:2:	3:3:2:	C[5a,6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(O[5a]N[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){1|C<3>,1|N<2>,2|C<4>}	N[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(O[5a]N[5a]){1|C<4>,1|N<3>,1|O<1>}	107.0150	0.000	1	107.0150	0.000	1	107.4982	0.128	17	107.4797	0.126	18	107.4715	0.124	22	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a,6a]	3:2:	3:2:	3:3:2:	C[5a,6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a,6a]C[6])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]N[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]C[6])(O[5a]C[5a,6a]){1|H<1>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]N[5a]){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	107.2257	0.296	6	107.2257	0.088	6	107.4982	0.128	17	107.4797	0.126	18	107.4715	0.124	22	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a,6a]	3:2:	3:2:	3:3:2:	C[5a,6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){4|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a]){4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a]){1|O<1>,1|O<2>,4|C<3>}	108.0190	0.000	1	108.0190	0.000	1	107.4982	0.128	17	107.4797	0.126	18	107.4715	0.124	22	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a,6a]	3:2:	3:2:	3:3:2:	C[5a,6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]N[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a]){4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]N[5a]){1|O<1>,1|O<2>,2|C<3>}	107.9400	0.000	1	107.9400	0.000	1	107.4982	0.128	17	107.4797	0.126	18	107.4715	0.124	22	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a,6a]	3:2:	3:2:	3:3:2:	C[5a,6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]N[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a]){4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]N[5a]){2|C<3>,2|H<1>}	107.9085	0.087	2	107.9085	0.008	2	107.4982	0.128	17	107.4797	0.126	18	107.4715	0.124	22	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a,6a]	3:2:	3:2:	3:3:2:	C[5a,6a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a,6a]O)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(O[5a]N[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]O)(O[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]H)(O[5a]N[5a]){1|C<3>,1|C<4>,2|O<2>}	107.6880	0.000	1	107.6880	0.000	1	107.4982	0.128	17	107.4797	0.126	18	107.4715	0.124	22	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	2:2:1:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:H-1:	O[5a](C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(H)	O[5a](C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(H){1|C<3>}	105.7270	0.000	1	105.9053	0.024	3	105.9290	0.077	5	106.7221	1.273	8	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	2:2:1:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:H-1:	O[5a](C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(H)	O[5a](C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(H){1|C<3>}	105.9945	0.022	2	105.9053	0.024	3	105.9290	0.077	5	106.7221	1.273	8	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	2:2:1:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:H-1:	O[5a](C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(H)	O[5a](C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>}	N[5a](C[5a]N[5a]C)(O[5a]C[5a]){1|H<1>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(H){1|C<3>}	105.9645	0.504	2	105.9645	0.254	2	105.9290	0.077	5	106.7221	1.273	8	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	2:2:1:	C[5a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:O-1:	O[5a](C[5a]N[5a]O)(N[5a]N[5a])	N[5a](N[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]N[5a])(O)	O[5a](C[5a]N[5a]O)(N[5a]N[5a]){1|C<3>}	N[5a](N[5a]C[6a]N[5a])(O[5a]C[5a]){1|O<1>,2|C<3>}	C[5a](N[5a]N[5a])(O[5a]N[5a])(O){1|C<3>}	108.2020	0.256	2	108.2020	0.066	2	108.0440	0.108	3	106.7221	1.273	8	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	2:2:1:	C[5a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:O-1:	O[5a](C[5a]N[5a]O)(N[5a]N[5a])	N[5a](N[5a]N[5a]C[5])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]N[5a])(O)	O[5a](C[5a]N[5a]O)(N[5a]N[5a]){1|C<3>}	N[5a](N[5a]N[5a]C[5])(O[5a]C[5a]){1|O<1>,2|N<2>}	C[5a](N[5a]N[5a])(O[5a]N[5a])(O){1|C<3>}	107.7280	0.000	1	107.7280	0.000	1	108.0440	0.108	3	106.7221	1.273	8	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	2:2:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:N-2:	O[5a](C[5a]N[5a]N)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(NN)	O[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a]){3|N<2>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(NN){1|C<3>}	106.8750	0.054	2	106.8750	0.003	2	106.5293	0.378	6	106.2796	0.752	7	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	2:2:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:N-2:	O[5a](C[5a]N[5a]N)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(NN)	O[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|C<4>}	N[5a](C[5a]N[5a]C)(O[5a]C[5a]){1|N<2>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(NN){1|C<4>}	106.1970	0.000	1	106.1970	0.000	1	106.5293	0.378	6	106.2796	0.752	7	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	2:2:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:N-2:	O[5a](C[5a]N[5a]N)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[5])(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(NN)	O[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|C<3>}	N[5a](C[5a]N[5a]C[5])(O[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(NN){1|C<3>}	105.4730	0.000	1	106.3250	1.452	2	106.5293	0.378	6	106.2796	0.752	7	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	2:2:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:N-2:	O[5a](C[5a]N[5a]N)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[5])(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(NN)	O[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|C<3>}	N[5a](C[5a]N[5a]C[5])(O[5a]C[5a]){1|C<3>,2|N<2>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(NN){1|C<3>}	107.1770	0.000	1	106.3250	1.452	2	106.5293	0.378	6	106.2796	0.752	7	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	2:2:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:N-2:	O[5a](C[5a]N[5a]N)(N[5a]C[5a])	N[5a](C[5a]N[5a]O)(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(NC)	O[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|O<2>}	N[5a](C[5a]N[5a]O)(O[5a]C[5a]){1|N<2>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(NC){1|O<2>}	106.5790	0.000	1	106.5790	0.000	1	106.5293	0.378	6	106.2796	0.752	7	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	2:2:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:O-2:	O[5a](C[5a]N[5a]O)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(OC[6a])	O[5a](C[5a]N[5a]O)(N[5a]C[5a]){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|O<2>,2|C<3>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(OC[6a]){1|C<3>}	104.7810	0.000	1	104.7810	0.000	1	104.7810	0.000	1	106.2796	0.752	7	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	2:2:3:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-3:	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CNN)	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a]){1|N<2>,2|C<3>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CNN){1|C<3>}	106.4570	0.000	1	106.4570	0.000	1	106.2268	0.106	10	106.1936	0.142	19	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	2:2:3:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-3:	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCC)	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){3|C<3>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCC){1|C<3>}	106.1890	0.000	1	106.1890	0.000	1	106.2268	0.106	10	106.1936	0.142	19	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	2:2:3:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-3:	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCO)	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){3|C<3>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCO){1|C<3>}	106.2043	0.299	6	106.2043	0.089	6	106.2268	0.106	10	106.1936	0.142	19	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	2:2:3:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-3:	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CNN)	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>}	N[5a](C[5a]N[5a]C)(O[5a]C[5a]){1|C<3>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CNN){1|C<4>}	106.1980	0.670	2	106.1980	0.449	2	106.2268	0.106	10	106.1936	0.142	19	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	2:2:3:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C[6]-3:	O[5a](C[5a]N[5a]C[6])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(C[6]C[6]2)	O[5a](C[5a]N[5a]C[6])(N[5a]C[5a]){1|C<4>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){3|C<3>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(C[6]C[6]2){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	106.2880	0.000	1	106.2880	0.000	1	106.2880	0.000	1	106.1936	0.142	19	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	2:2:3:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:N-3:	O[5a](C[5a]N[5a]N)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(NHH)	O[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(NHH){1|C<3>}	106.4753	0.220	3	106.4753	0.048	3	106.1404	0.222	8	106.1936	0.142	19	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	2:2:3:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:N-3:	O[5a](C[5a]N[5a]N)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(NC[6]H)	O[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|N<3>,2|C<3>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(NC[6]H){1|C<3>}	105.3300	0.000	1	105.3300	0.000	1	106.1404	0.222	8	106.1936	0.142	19	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	2:2:3:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:N-3:	O[5a](C[5a]N[5a]N)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[5])(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(NHH)	O[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|C<3>}	N[5a](C[5a]N[5a]C[5])(O[5a]C[5a]){1|C<3>,2|N<3>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(NHH){1|C<3>}	106.4090	0.000	1	106.4090	0.000	1	106.1404	0.222	8	106.1936	0.142	19	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	2:2:3:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:N-3:	O[5a](C[5a]N[5a]N)(N[5a]C[5a])	N[5a](C[5a]N[5a]N)(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(NHH)	O[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|N<2>}	N[5a](C[5a]N[5a]N)(O[5a]C[5a]){1|N<3>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(NHH){1|N<2>}	106.2095	0.144	2	105.9860	0.160	3	106.1404	0.222	8	106.1936	0.142	19	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	2:2:3:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:N-3:	O[5a](C[5a]N[5a]N)(N[5a]C[5a])	N[5a](C[5a]N[5a]N)(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(NHH)	O[5a](C[5a]N[5a]N)(N[5a]C[5a]){1|N<3>}	N[5a](C[5a]N[5a]N)(O[5a]C[5a]){1|N<3>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(NHH){1|N<3>}	105.5390	0.000	1	105.9860	0.160	3	106.1404	0.222	8	106.1936	0.142	19	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	2:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3)	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3){1|C<3>}	106.3638	0.306	6	106.3638	0.094	6	106.1336	0.269	59	106.1336	0.269	59	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	2:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHN)	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHN){1|C<3>}	106.0460	0.000	1	106.0460	0.000	1	106.1336	0.269	59	106.1336	0.269	59	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	2:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CN3)	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a]){1|C<4>,2|N<2>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CN3){1|C<3>}	105.3760	0.205	2	105.3760	0.042	2	106.1336	0.269	59	106.1336	0.269	59	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	2:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCHH)	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCHH){1|C<3>}	106.7510	0.769	2	106.7510	0.592	2	106.1336	0.269	59	106.1336	0.269	59	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	2:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CC[5]HH)	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CC[5]HH){1|C<3>}	105.8678	0.414	4	105.8678	0.171	4	106.1336	0.269	59	106.1336	0.269	59	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	2:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CClHH)	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CClHH){1|C<3>}	106.3177	0.483	6	106.3177	0.233	6	106.1336	0.269	59	106.1336	0.269	59	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	2:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CF3)	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CF3){1|C<3>}	104.8567	0.106	3	104.8567	0.011	3	106.1336	0.269	59	106.1336	0.269	59	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	2:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3)	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3){1|C<3>}	106.2462	0.126	6	106.2462	0.016	6	106.1336	0.269	59	106.1336	0.269	59	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	2:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHO)	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHO){1|C<3>}	106.1336	0.290	12	106.1336	0.084	12	106.1336	0.269	59	106.1336	0.269	59	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	2:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHS)	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CHHS){1|C<3>}	106.2560	0.609	7	106.2560	0.371	7	106.1336	0.269	59	106.1336	0.269	59	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	2:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CN[5a]HH)	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CN[5a]HH){1|C<3>}	105.8400	0.000	1	105.8400	0.000	1	106.1336	0.269	59	106.1336	0.269	59	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	2:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CN[6]HH)	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CN[6]HH){1|C<3>}	106.4430	0.000	1	106.4430	0.000	1	106.1336	0.269	59	106.1336	0.269	59	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	2:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCCH)	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>}	N[5a](C[5a]N[5a]C)(O[5a]C[5a]){1|C<4>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CCCH){1|C<4>}	106.4240	0.000	1	106.4240	0.000	1	106.1336	0.269	59	106.1336	0.269	59	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	2:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3)	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	N[5a](C[5a]N[5a]C)(O[5a]C[5a]){1|C<4>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3){1|C<3>}	106.4640	0.000	1	106.3520	0.222	6	106.1336	0.269	59	106.1336	0.269	59	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	2:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]C)(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3)	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>}	N[5a](C[5a]N[5a]C)(O[5a]C[5a]){1|C<4>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CH3){1|C<4>}	106.3296	0.524	5	106.3520	0.222	6	106.1336	0.269	59	106.1336	0.269	59	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	2:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]N[5a]N[6])(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]N[5a])(CFFH)	O[5a](C[5a]N[5a]C)(N[5a]C[5a]){1|N<3>}	N[5a](C[5a]N[5a]N[6])(O[5a]C[5a]){3|C<4>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(CFFH){1|N<3>}	105.7630	0.000	1	105.7630	0.000	1	106.1336	0.269	59	106.1336	0.269	59	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:	C[5,5a]-3:O[5a]-2:	C[5,5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a])	N[5a](C[5,5a]C[5,5a]C[5])(O[5a]C[5a])	C[5a](C[5,5a]C[5,5a]C[5])(O[5a]N[5a])(H)	O[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a]){2|C<4>}	N[5a](C[5,5a]C[5,5a]C[5])(O[5a]C[5a]){1|N<3>,2|C<4>,2|H<1>}	C[5a](C[5,5a]C[5,5a]C[5])(O[5a]N[5a])(H){1|C<4>,1|N<3>,2|H<1>}	108.6860	0.000	1	108.6860	0.000	1	108.6860	0.000	1	110.0789	1.627	84	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:	C[5a,6]-3:O[5a]-2:	C[5a,6]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6])	N[5a](C[5a,6]C[5a,6]C[5,6])(O[5a]C[5a])	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])(H)	O[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]){2|C<4>}	N[5a](C[5a,6]C[5a,6]C[5,6])(O[5a]C[5a]){1|O<2>,2|C<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])(H){1|C<4>,1|O<2>,2|H<1>}	108.1930	0.000	1	108.1930	0.000	1	108.1930	0.000	1	110.0789	1.627	84	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(H)	O[5a](C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(H){1|C<4>}	108.0960	0.000	1	107.9857	0.475	3	108.3004	0.253	20	110.0789	1.627	84	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(H)	O[5a](C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(H){1|C<3>}	108.6130	0.000	1	107.9857	0.475	3	108.3004	0.253	20	110.0789	1.627	84	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(H)	O[5a](C[5a]C[5a]H)(N[5a]C[5a]){2|C<4>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(H){1|C<4>}	107.2480	0.000	1	107.9857	0.475	3	108.3004	0.253	20	110.0789	1.627	84	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6])(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(H)	O[5a](C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>}	N[5a](C[5a]C[5a]C[6])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(H){1|C<3>}	107.5760	0.000	1	107.5760	0.000	1	108.3004	0.253	20	110.0789	1.627	84	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]2)(O[5a]N[5a])(H)	O[5a](C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]2)(O[5a]N[5a])(H){1|O<2>,2|C<3>}	108.5940	0.000	1	108.5950	0.016	3	108.3004	0.253	20	110.0789	1.627	84	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]2)(O[5a]N[5a])(H)	O[5a](C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]2)(O[5a]N[5a])(H){1|N<2>,2|C<3>}	108.7230	0.000	1	108.5950	0.016	3	108.3004	0.253	20	110.0789	1.627	84	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]2)(O[5a]N[5a])(H)	O[5a](C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]2)(O[5a]N[5a])(H){1|O<2>,2|C<3>}	108.4680	0.000	1	108.5950	0.016	3	108.3004	0.253	20	110.0789	1.627	84	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(H)	O[5a](C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(H){1|C<3>}	108.7380	0.000	1	108.4959	0.167	8	108.3004	0.253	20	110.0789	1.627	84	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(H)	O[5a](C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(H){1|C<3>}	108.4613	0.428	7	108.4959	0.167	8	108.3004	0.253	20	110.0789	1.627	84	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(H)	O[5a](C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(H){1|H<1>,2|C<3>}	107.7140	0.000	1	107.7140	0.000	1	108.3004	0.253	20	110.0789	1.627	84	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(H)	O[5a](C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]N)(O[5a]C[5a]){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(H){1|N<2>}	107.8260	0.000	1	107.8260	0.000	1	108.3004	0.253	20	110.0789	1.627	84	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]O)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(H)	O[5a](C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|O<2>}	N[5a](C[5a]C[5a]O)(O[5a]C[5a]){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(H){1|O<2>}	108.3947	0.580	3	108.3947	0.337	3	108.3004	0.253	20	110.0789	1.627	84	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-3:O[5a]-2:O-1:	O[5a](C[5a]N[5a]O)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]C[5a]H)(O[5a]N[5a])(O)	O[5a](C[5a]N[5a]O)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C[5a](N[5a]C[5a]H)(O[5a]N[5a])(O){1|C<3>}	109.3397	0.155	3	109.3397	0.024	3	109.1377	0.202	10	110.0789	1.627	84	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-3:O[5a]-2:O-1:	O[5a](C[5a]N[5a]O)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](N[5a]C[5a]C[6a])(O[5a]N[5a])(O)	O[5a](C[5a]N[5a]O)(N[5a]C[5a]){2|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|O<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(O[5a]N[5a])(O){3|C<3>}	109.6380	0.000	1	109.6380	0.000	1	109.1377	0.202	10	110.0789	1.627	84	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-3:O[5a]-2:O-1:	O[5a](C[5a]N[5a]O)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](N[5a]C[5a]H)(O[5a]N[5a])(O)	O[5a](C[5a]N[5a]O)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	C[5a](N[5a]C[5a]H)(O[5a]N[5a])(O){1|C<3>}	109.1380	0.470	4	109.1380	0.221	4	109.1377	0.202	10	110.0789	1.627	84	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-3:O[5a]-2:O-1:	O[5a](C[5a]N[5a]O)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[5])(O[5a]C[5a])	C[5a](N[5a]C[5a]Zn)(O[5a]N[5a])(O)	O[5a](C[5a]N[5a]O)(N[5a]C[5a]){1|Zn<5>,1|C<3>}	N[5a](C[5a]N[5a]C[5])(O[5a]C[5a]){1|Zn<5>,1|O<1>,2|N<3>}	C[5a](N[5a]C[5a]Zn)(O[5a]N[5a])(O){1|C<3>}	108.3340	0.000	1	108.3340	0.000	1	109.1377	0.202	10	110.0789	1.627	84	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-3:O[5a]-2:O-1:	O[5a](C[5a]N[5a]O)(N[5a]C[5a])	N[5a](C[5a]N[5a]N)(O[5a]C[5a])	C[5a](N[5a]C[5a]H)(O[5a]N[5a])(O)	O[5a](C[5a]N[5a]O)(N[5a]C[5a]){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]N)(O[5a]C[5a]){1|H<1>,1|O<1>}	C[5a](N[5a]C[5a]H)(O[5a]N[5a])(O){1|N<3>}	108.8340	0.000	1	108.8340	0.000	1	109.1377	0.202	10	110.0789	1.627	84	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:	N[5,5a]-3:O[5a]-2:	C[5,5a]-3:O[5a]-2:O-1:	O[5a](C[5a]C[5,5a]O)(N[5a]N[5,5a])	N[5a](N[5,5a]C[5,5a]C[5,6a])(O[5a]C[5a])	C[5a](C[5,5a]N[5,5a]C[5])(O[5a]N[5a])(O)	O[5a](C[5a]C[5,5a]O)(N[5a]N[5,5a]){1|C<3>,1|C<4>}	N[5a](N[5,5a]C[5,5a]C[5,6a])(O[5a]C[5a]){1|C<4>,1|O<1>,2|C<3>}	C[5a](C[5,5a]N[5,5a]C[5])(O[5a]N[5a])(O){1|C<4>,1|O<2>,2|C<3>}	111.7920	0.025	2	111.7920	0.001	2	111.7920	0.001	2	110.0789	1.627	84	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:	N[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:O-1:	O[5a](C[5a]C[5a,6a]O)(N[5a]N[5a,6a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a])	C[5a](C[5a,6a]N[5a,6a]C[6a])(O[5a]N[5a])(O)	O[5a](C[5a]C[5a,6a]O)(N[5a]N[5a,6a]){2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(O[5a]N[5a])(O){1|C<3>,1|N<2>,1|N<3>}	111.6670	0.000	1	111.6670	0.000	1	111.6670	0.000	1	110.0789	1.627	84	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:O-1:	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	N[5a](N[5a]C[5a]2)(O[5a]C[5a])	C[5a](C[5a]N[5a]H)(O[5a]N[5a])(O)	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){1|C<3>,1|H<1>}	N[5a](N[5a]C[5a]2)(O[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(O[5a]N[5a])(O){1|C<3>}	110.8470	0.000	1	110.8470	0.000	1	110.9615	0.089	49	110.0789	1.627	84	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:O-1:	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(O[5a]N[5a])(O)	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){2|C<3>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(O[5a]N[5a])(O){1|N<2>,2|C<3>}	111.6800	0.000	1	111.2765	0.326	2	110.9615	0.089	49	110.0789	1.627	84	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:O-1:	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(O[5a]N[5a])(O)	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){2|C<3>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(O[5a]N[5a])(O){3|C<3>}	110.8730	0.000	1	111.2765	0.326	2	110.9615	0.089	49	110.0789	1.627	84	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:O-1:	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(O[5a]N[5a])(O)	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){2|C<3>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(O[5a]N[5a])(O){1|N<2>,2|C<3>}	111.4310	0.000	1	111.2347	0.152	3	110.9615	0.089	49	110.0789	1.627	84	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:O-1:	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(O[5a]N[5a])(O)	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){2|C<3>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(O[5a]N[5a])(O){3|C<3>}	111.1365	0.497	2	111.2347	0.152	3	110.9615	0.089	49	110.0789	1.627	84	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:O-1:	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]N[5a]C)(O[5a]N[5a])(O)	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){1|C<3>,1|C<4>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,1|O<1>,2|C<3>}	C[5a](C[5a]N[5a]C)(O[5a]N[5a])(O){1|C<3>}	111.0270	0.526	2	110.8601	0.064	21	110.9615	0.089	49	110.0789	1.627	84	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:O-1:	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]N[5a]C)(O[5a]N[5a])(O)	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){2|C<3>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	C[5a](C[5a]N[5a]C)(O[5a]N[5a])(O){1|C<3>}	110.8426	0.230	19	110.8601	0.064	21	110.9615	0.089	49	110.0789	1.627	84	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:O-1:	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]N[5a]C[6])(O[5a]N[5a])(O)	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){2|C<3>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	C[5a](C[5a]N[5a]C[6])(O[5a]N[5a])(O){1|C<3>,1|C<4>,1|N<2>}	110.9941	0.262	8	110.9741	0.064	9	110.9615	0.089	49	110.0789	1.627	84	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:O-1:	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]N[5a]C[6])(O[5a]N[5a])(O)	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){2|C<3>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	C[5a](C[5a]N[5a]C[6])(O[5a]N[5a])(O){1|C<4>,2|C<3>}	110.8140	0.000	1	110.9741	0.064	9	110.9615	0.089	49	110.0789	1.627	84	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:O-1:	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]N[5a]H)(O[5a]N[5a])(O)	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){1|C<3>,1|H<1>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(O[5a]N[5a])(O){1|C<3>}	111.1470	0.176	9	111.1470	0.031	9	110.9615	0.089	49	110.0789	1.627	84	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:O-1:	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]N[5a]Pd)(O[5a]N[5a])(O)	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){1|Pd<4>,1|C<3>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|Pd<4>,1|O<1>,2|C<3>}	C[5a](C[5a]N[5a]Pd)(O[5a]N[5a])(O){1|C<3>}	110.9670	0.000	1	110.9670	0.000	1	110.9615	0.089	49	110.0789	1.627	84	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:O-1:	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]N[5a]Si)(O[5a]N[5a])(O)	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){1|Si<4>,1|C<3>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|Si<4>,1|O<1>,2|C<3>}	C[5a](C[5a]N[5a]Si)(O[5a]N[5a])(O){1|C<3>}	110.7820	0.383	2	110.7820	0.147	2	110.9615	0.089	49	110.0789	1.627	84	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:O-1:	O[5a](C[5a]C[5a]O)(N[5a]N[5a])	N[5a](N[5a]C[5a]O)(O[5a]C[5a])	C[5a](C[5a]N[5a]C)(O[5a]N[5a])(O)	O[5a](C[5a]C[5a]O)(N[5a]N[5a]){1|C<3>,1|O<2>}	N[5a](N[5a]C[5a]O)(O[5a]C[5a]){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(O[5a]N[5a])(O){1|O<2>}	110.3240	0.000	1	110.3240	0.000	1	110.9615	0.089	49	110.0789	1.627	84	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]N[5a]C[5])(N[5a]C[5a])	N[5a](C[5a]N[5a]C)(O[5a]C[5a])	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(O[5a]N[5a])	O[5a](C[5a]N[5a]C[5])(N[5a]C[5a]){1|C<2>,1|C<3>,1|N<2>}	N[5a](C[5a]N[5a]C)(O[5a]C[5a]){1|C<3>}	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(O[5a]N[5a]){1|N<3>,1|O<2>,2|C<2>}	106.5740	0.000	1	106.5740	0.000	1	106.5740	0.000	1	106.4666	0.810	53	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(O[5a]N[5a])	O[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a]){1|C<3>,2|N<2>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(O[5a]N[5a]){1|C<3>,1|O<1>,2|N<2>}	105.8080	0.144	5	105.8080	0.021	5	105.6232	0.183	13	106.4666	0.810	53	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]O[5a])(N[5a]C[5a])(O[5a]N[5a])	O[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]){1|C<3>,1|N<2>,1|O<2>}	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a]){1|N<2>,2|C<3>}	C[5a](C[5a]N[5a]O[5a])(N[5a]C[5a])(O[5a]N[5a]){1|N<2>,2|C<3>}	105.3490	0.172	5	105.3490	0.030	5	105.6232	0.183	13	106.4666	0.810	53	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]O[5a])(N[5a]C[5a])(O[5a]N[5a])	O[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]){1|C<3>,1|N<2>,1|O<2>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){3|C<3>}	C[5a](C[5a]N[5a]O[5a])(N[5a]C[5a])(O[5a]N[5a]){1|N<2>,2|C<3>}	104.8150	0.000	1	104.8150	0.000	1	105.6232	0.183	13	106.4666	0.810	53	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])	N[5a](C[5a]N[5a]C[3])(O[5a]C[5a])	C[5a](C[5a]C[5a,6]N[5a])(N[5a]C[5a])(O[5a]N[5a])	O[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>}	N[5a](C[5a]N[5a]C[3])(O[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	C[5a](C[5a]C[5a,6]N[5a])(N[5a]C[5a])(O[5a]N[5a]){1|C<3>,1|C<4>,2|N<3>}	106.2510	0.093	2	106.2510	0.009	2	105.6232	0.183	13	106.4666	0.810	53	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-2:	O[5a](C[5a]C[5a]N)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NC)	O[5a](C[5a]C[5a]N)(N[5a]C[5a]){2|C<4>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<4>,1|N<2>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NC){1|C<4>}	107.7147	0.244	9	107.7147	0.059	9	107.6023	0.155	12	106.4666	0.810	53	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-2:	O[5a](C[5a]C[5a]N)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NS)	O[5a](C[5a]C[5a]N)(N[5a]C[5a]){2|C<4>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<4>,1|N<2>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NS){1|C<4>}	106.9170	0.225	2	106.9170	0.051	2	107.6023	0.155	12	106.4666	0.810	53	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-2:	O[5a](C[5a]C[5a]N)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NC)	O[5a](C[5a]C[5a]N)(N[5a]C[5a]){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|N<2>,3|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NC){1|C<3>}	107.9620	0.000	1	107.9620	0.000	1	107.6023	0.155	12	106.4666	0.810	53	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:O-2:	O[5a](C[5a]C[5a]O)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(OC)	O[5a](C[5a]C[5a]O)(N[5a]C[5a]){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(OC){1|C<3>}	108.0470	0.000	1	108.0470	0.000	1	108.0470	0.000	1	106.4666	0.810	53	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[6]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]N[5a]C[6])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](C[6]C[6]O[6])(N[5a]C[5a])(O[5a]N[5a])	O[5a](C[5a]N[5a]C[6])(N[5a]C[5a]){1|O<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){3|C<3>}	C[5a](C[6]C[6]O[6])(N[5a]C[5a])(O[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>}	105.5690	0.000	1	105.5690	0.000	1	105.5690	0.000	1	106.4666	0.810	53	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){1|Cl<1>,1|H<1>,3|C<3>}	106.1780	0.000	1	106.4459	0.504	17	106.3283	0.405	25	106.4666	0.810	53	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){1|H<1>,1|N<3>,3|C<3>}	106.3720	0.000	1	106.4459	0.504	17	106.3283	0.405	25	106.4666	0.810	53	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	106.5159	0.773	13	106.4459	0.504	17	106.3283	0.405	25	106.4666	0.810	53	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){2|H<1>,3|C<3>}	106.1620	0.767	2	106.4459	0.504	17	106.3283	0.405	25	106.4666	0.810	53	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]N[5a]C)(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	N[5a](C[5a]N[5a]C)(O[5a]C[5a]){1|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	105.6160	0.000	1	105.6965	0.013	2	106.3283	0.405	25	106.4666	0.810	53	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]N[5a]C)(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	N[5a](C[5a]N[5a]C)(O[5a]C[5a]){1|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){2|H<1>,3|C<3>}	105.7770	0.000	1	105.6965	0.013	2	106.3283	0.405	25	106.4666	0.810	53	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]N[5a]C[3])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	N[5a](C[5a]N[5a]C[3])(O[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	106.0575	0.251	2	106.0127	0.024	4	106.3283	0.405	25	106.4666	0.810	53	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]N[5a]C[3])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	N[5a](C[5a]N[5a]C[3])(O[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	105.9680	0.011	2	106.0127	0.024	4	106.3283	0.405	25	106.4666	0.810	53	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]N[5a]C[5])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	N[5a](C[5a]N[5a]C[5])(O[5a]C[5a]){1|N<2>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){2|H<1>,3|C<3>}	106.5920	0.000	1	106.5920	0.000	1	106.3283	0.405	25	106.4666	0.810	53	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]N[5a]C[6])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a])	O[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	N[5a](C[5a]N[5a]C[6])(O[5a]C[5a]){1|C<4>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]N[5a]){1|Cl<1>,1|H<1>,3|C<3>}	106.5910	0.000	1	106.5910	0.000	1	106.3283	0.405	25	106.4666	0.810	53	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:	C[5a,6]-3:O[5a]-2:	C[5a,6]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])	N[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])(CHN)	O[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]){2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])(CHN){2|C<4>,2|H<1>}	108.2600	0.000	1	108.2600	0.000	1	108.2600	0.000	1	108.5397	1.473	51	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(CCH)	O[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a]){1|F<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(CCH){1|H<1>,2|C<3>}	111.0350	0.000	1	111.0350	0.000	1	110.9045	0.034	2	108.5397	1.473	51	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(CC[6a]O)	O[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(CC[6a]O){1|H<1>,2|C<3>}	110.7740	0.000	1	110.7740	0.000	1	110.9045	0.034	2	108.5397	1.473	51	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(NHH)	O[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a]){1|C<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(NHH){1|N<3>,2|C<3>}	111.3015	0.459	2	111.1442	0.109	4	111.1442	0.109	4	108.5397	1.473	51	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(NHH)	O[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(NHH){1|N<3>,2|C<3>}	110.9870	0.130	2	111.1442	0.109	4	111.1442	0.109	4	108.5397	1.473	51	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CCN)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){2|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CCN){1|C<4>}	108.6100	0.000	1	108.6100	0.000	1	108.4928	0.498	28	108.5397	1.473	51	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CNO)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){2|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CNO){1|C<4>}	108.7280	0.000	1	108.7280	0.000	1	108.4928	0.498	28	108.5397	1.473	51	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(CCN)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<2>,1|C<3>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){2|C<3>}	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(CCN){1|C<2>,2|C<3>}	109.8290	0.000	1	109.8290	0.000	1	108.4928	0.498	28	108.5397	1.473	51	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(CN[6]O)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){2|C<3>}	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(CN[6]O){3|C<3>}	108.7360	0.000	1	108.7360	0.000	1	108.4928	0.498	28	108.5397	1.473	51	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(COO)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(COO){1|C<3>}	108.1310	0.396	2	107.6623	0.362	4	108.4928	0.498	28	108.5397	1.473	51	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(COO)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(COO){1|C<4>}	107.1935	0.223	2	107.6623	0.362	4	108.4928	0.498	28	108.5397	1.473	51	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]P)(O[5a]N[5a])(CNO)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|P<4>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<3>,1|P<4>}	C[5a](C[5a]C[5a]P)(O[5a]N[5a])(CNO){1|C<4>}	108.9180	0.000	1	108.9180	0.000	1	108.4928	0.498	28	108.5397	1.473	51	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CCH)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){4|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CCH){1|C<3>}	109.7480	0.215	2	109.7480	0.046	2	108.4928	0.498	28	108.5397	1.473	51	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CCO)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){4|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CCO){1|C<3>}	109.4450	0.000	1	109.4450	0.000	1	108.4928	0.498	28	108.5397	1.473	51	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(COO)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){4|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(COO){1|C<3>}	108.0880	0.000	1	108.0880	0.000	1	108.4928	0.498	28	108.5397	1.473	51	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCH)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCH){1|C<3>}	108.8940	0.505	2	108.8940	0.255	2	108.4928	0.498	28	108.5397	1.473	51	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CC[6a]C)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CC[6a]C){1|C<3>}	108.5280	0.000	1	108.5280	0.000	1	108.4928	0.498	28	108.5397	1.473	51	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHO)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHO){1|C<3>}	107.9580	0.000	1	107.9580	0.000	1	108.4928	0.498	28	108.5397	1.473	51	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CNO)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CNO){1|C<3>}	108.2196	0.086	5	108.2196	0.007	5	108.4928	0.498	28	108.5397	1.473	51	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(COO)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(COO){1|C<3>}	107.8660	0.195	3	107.8660	0.038	3	108.4928	0.498	28	108.5397	1.473	51	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CSiC)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CSiC){1|C<3>}	109.3020	0.000	1	109.3020	0.000	1	108.4928	0.498	28	108.5397	1.473	51	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CC[6a]O)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CC[6a]O){1|H<1>}	108.6790	0.000	1	108.6790	0.000	1	108.4928	0.498	28	108.5397	1.473	51	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(COO)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(COO){1|H<1>}	108.3480	0.000	1	108.3480	0.000	1	108.4928	0.498	28	108.5397	1.473	51	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6]-3:	O[5a](C[5a]C[5a]C[6])(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(C[6]C[6]2)	O[5a](C[5a]C[5a]C[6])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(C[6]C[6]2){1|C<3>,2|C<4>,3|H<1>}	108.6420	0.000	1	108.6420	0.000	1	108.6420	0.000	1	108.5397	1.473	51	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[5a]N)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NC[6a]H)	O[5a](C[5a]C[5a]N)(N[5a]C[5a]){2|C<4>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<4>,1|N<3>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NC[6a]H){1|C<4>}	106.7435	0.351	2	106.7435	0.124	2	107.6293	0.638	15	108.5397	1.473	51	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[5a]N)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NHH)	O[5a](C[5a]C[5a]N)(N[5a]C[5a]){1|C<2>,1|C<4>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<2>,1|N<3>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NHH){1|C<4>}	108.7410	0.000	1	108.3250	0.346	2	107.6293	0.638	15	108.5397	1.473	51	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[5a]N)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NHH)	O[5a](C[5a]C[5a]N)(N[5a]C[5a]){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NHH){1|C<4>}	107.9090	0.000	1	108.3250	0.346	2	107.6293	0.638	15	108.5397	1.473	51	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[5a]N)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NHS)	O[5a](C[5a]C[5a]N)(N[5a]C[5a]){2|C<4>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<4>,1|N<3>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NHS){1|C<4>}	106.9286	0.434	5	106.9286	0.189	5	107.6293	0.638	15	108.5397	1.473	51	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[5a]N)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]C[5])(O[5a]N[5a])(NCH)	O[5a](C[5a]C[5a]N)(N[5a]C[5a]){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]C[5])(O[5a]N[5a])(NCH){1|N<3>,3|C<3>}	108.0920	0.000	2	108.0920	0.000	2	107.6293	0.638	15	108.5397	1.473	51	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[5a]N)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(NCS)	O[5a](C[5a]C[5a]N)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(NCS){1|C<3>}	108.4380	0.000	1	108.4380	0.000	1	107.6293	0.638	15	108.5397	1.473	51	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[5a]N)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(NHH)	O[5a](C[5a]C[5a]N)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(NHH){1|C<3>}	108.4540	0.170	2	108.4540	0.029	2	107.6293	0.638	15	108.5397	1.473	51	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[5a]N)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NC[6a]H)	O[5a](C[5a]C[5a]N)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NC[6a]H){1|H<1>}	108.1300	0.000	1	108.1300	0.000	1	107.6293	0.638	15	108.5397	1.473	51	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5,5a]-3:O[5a]-2:	C[5,5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a])	N[5a](C[5,5a]C[5,5a]C[5])(O[5a]C[5a])	C[5a](C[5,5a]C[5,5a]C[5])(O[5a]N[5a])(CH3)	O[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a]){1|C<3>,1|C<4>}	N[5a](C[5,5a]C[5,5a]C[5])(O[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5a](C[5,5a]C[5,5a]C[5])(O[5a]N[5a])(CH3){1|C<4>,1|N<3>,1|O<1>}	110.2490	0.000	1	110.2490	0.000	1	110.2490	0.000	1	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a,6]-3:O[5a]-2:	C[5a,6]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])	N[5a](C[5a,6]C[5a,6]C[6,6a])(O[5a]C[5a])	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])(CHHO)	O[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]){1|C<3>,1|C<4>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(O[5a]C[5a]){2|C<3>,2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])(CHHO){1|C<3>,1|O<2>,2|H<1>}	108.9605	0.074	2	108.9605	0.006	2	108.8030	0.077	3	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a,6]-3:O[5a]-2:	C[5a,6]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])	N[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])(CH3)	O[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]){2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a]){2|H<1>,3|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])(CH3){1|C<3>,1|H<1>,2|C<4>}	108.4880	0.000	1	108.4880	0.000	1	108.8030	0.077	3	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(CCCH)	O[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]N[5a])(CCCH){1|C<3>,1|C<4>,1|N<2>}	110.8590	0.000	1	110.8590	0.000	1	110.8590	0.000	1	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5,6]C[5a])(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>}	N[5a](C[5a]C[5,6]C[5a])(O[5a]C[5a]){1|C<4>,2|C<3>,2|O<2>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3){1|C<4>}	109.4930	0.000	1	109.4930	0.000	1	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CH3)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(O[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CH3){1|C<3>}	109.1000	0.000	1	109.1000	0.000	1	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHN)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(O[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHN){1|C<3>}	108.8550	0.000	1	108.8550	0.000	1	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHO)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHO){1|C<3>}	108.2510	0.183	7	108.2510	0.034	7	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CCCH)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]2)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|S<2>}	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CCCH){1|C<3>}	109.1620	0.000	1	109.1620	0.000	1	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CC[5]CH)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){2|C<4>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){2|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CC[5]CH){1|C<4>}	108.2050	0.000	1	108.2050	0.000	1	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3){1|C<4>}	108.1740	0.742	6	108.1640	0.399	8	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){2|C<4>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){2|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3){1|C<4>}	108.1340	0.209	2	108.1640	0.399	8	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CHHO)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CHHO){1|C<3>}	109.2070	0.000	1	109.2070	0.000	1	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]C[6])(O[5a]N[5a])(CC[5,5]HH)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){2|C<4>}	C[5a](C[5a]C[5a]C[6])(O[5a]N[5a])(CC[5,5]HH){1|C<3>,1|C<4>,2|O<2>}	109.1750	0.000	1	109.1750	0.000	1	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]C[6])(O[5a]N[5a])(CH3)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){2|C<4>}	C[5a](C[5a]C[5a]C[6])(O[5a]N[5a])(CH3){1|C<3>,1|C<4>,2|O<2>}	109.0340	0.303	2	109.0340	0.092	2	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(CH3)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(CH3){1|C<4>,2|C<3>}	108.1350	0.000	1	108.1350	0.000	1	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCHH)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCHH){1|C<3>}	109.2294	0.357	5	108.7719	0.361	10	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCHH)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCHH){1|C<4>}	108.3144	0.402	5	108.7719	0.361	10	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CF3)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CF3){1|C<4>}	106.3555	1.167	2	106.3555	1.363	2	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CH3)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CH3){1|C<3>}	108.9390	0.728	2	108.5986	0.248	5	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CH3)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CH3){1|C<4>}	108.3717	0.196	3	108.5986	0.248	5	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHO)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHO){1|C<3>}	108.5480	0.000	1	107.8585	0.404	4	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHO)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHO){1|C<4>}	107.6287	0.538	3	107.8585	0.404	4	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CN[5]HH)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CN[5]HH){1|C<3>}	108.5080	0.000	1	108.5080	0.000	1	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CCHH)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<4>,1|N<3>}	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CCHH){1|C<4>}	109.3745	0.155	2	109.3745	0.024	2	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CC[5,5]HH)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<4>,1|N<3>}	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CC[5,5]HH){1|C<4>}	109.1080	0.000	1	109.1080	0.000	1	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CC[5]CH)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<4>,1|N<3>}	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CC[5]CH){1|C<4>}	109.8680	0.000	1	109.8680	0.000	1	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CC[5]HH)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<4>,1|N<3>}	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CC[5]HH){1|C<4>}	109.3697	0.628	4	109.3697	0.395	4	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CH3)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|N<2>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<4>,1|N<2>}	C[5a](C[5a]C[5a]N)(O[5a]N[5a])(CH3){1|C<4>}	108.1415	0.480	2	108.1415	0.231	2	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6])(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6])(O[5a]C[5a]){1|Cl<1>,1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3){1|C<4>}	109.6105	0.054	2	109.6105	0.003	2	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CC3)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CC3){1|C<3>}	109.2490	0.000	1	109.2490	0.000	1	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3){1|C<3>}	109.2517	0.230	9	109.2517	0.053	9	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(CH3)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(CH3){3|C<3>}	108.4620	0.000	1	108.4620	0.000	1	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCCH)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCCH){1|C<3>}	108.3650	0.000	1	108.3650	0.000	1	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCHH)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CCHH){1|C<3>}	108.4828	0.287	4	108.4828	0.083	4	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHN)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHN){1|C<3>}	108.3707	0.211	3	108.3707	0.045	3	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHO)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CHHO){1|C<3>}	108.5516	0.226	5	108.5516	0.051	5	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CN[5a]HH)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CN[5a]HH){1|C<3>}	108.3060	0.000	1	108.3060	0.000	1	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CCHH)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(O[5a]C[5a]){2|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CCHH){1|H<1>}	109.9180	0.000	1	109.9180	0.000	1	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(CH3){1|H<1>}	109.0969	0.217	10	109.0969	0.047	10	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N)(O[5a]C[5a])	C[5a](C[5a]C[5a]Br)(O[5a]N[5a])(CH3)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|Br<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(O[5a]C[5a]){1|Br<1>,1|C<4>}	C[5a](C[5a]C[5a]Br)(O[5a]N[5a])(CH3){1|N<3>}	108.4490	0.000	1	108.4490	0.000	1	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N)(O[5a]C[5a])	C[5a](C[5a]C[5a]Cl)(O[5a]N[5a])(CH3)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|Cl<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(O[5a]C[5a]){1|Cl<1>,1|C<4>}	C[5a](C[5a]C[5a]Cl)(O[5a]N[5a])(CH3){1|N<3>}	109.0120	0.000	1	109.0120	0.000	1	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CC3)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(O[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CC3){1|N<3>}	109.5890	0.000	1	109.5890	0.000	1	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CH3)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]N)(O[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CH3){1|N<2>}	108.5145	0.471	6	108.5625	0.129	30	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CH3)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(O[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CH3){1|N<3>}	108.5745	0.336	24	108.5625	0.129	30	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N)(O[5a]C[5a])	C[5a](C[5a]C[5a]I)(O[5a]N[5a])(CH3)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|I<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(O[5a]C[5a]){1|C<4>,1|I<1>}	C[5a](C[5a]C[5a]I)(O[5a]N[5a])(CH3){1|N<3>}	108.5060	0.000	2	108.5060	0.000	2	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5])(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CH3)	O[5a](C[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N[5])(O[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(CH3){1|N<3>}	109.1400	0.000	1	109.1400	0.000	1	108.6790	0.398	131	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:S-4:	O[5a](C[5a]C[5a]S)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(SFOO)	O[5a](C[5a]C[5a]S)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|H<1>,1|S<4>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(SFOO){1|C<3>}	106.6755	0.235	2	106.6755	0.055	2	106.6260	0.035	3	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:S-4:	O[5a](C[5a]C[5a]S)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(SFOO)	O[5a](C[5a]C[5a]S)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|S<4>,2|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(SFOO){1|C<3>}	106.5270	0.000	1	106.5270	0.000	1	106.6260	0.035	3	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:Si-4:	O[5a](C[5a]C[5a]Si)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(SiC3)	O[5a](C[5a]C[5a]Si)(N[5a]C[5a]){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|Si<4>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(O[5a]N[5a])(SiC3){3|C<3>}	109.5030	0.000	1	109.5030	0.000	1	109.5030	0.000	1	108.6704	0.522	140	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:O[5a]-2:	O[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(O[5a]N[5a])	O[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]){1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(O[5a]N[5a]){2|H<1>,4|C<3>}	110.0960	0.000	1	110.0960	0.000	1	110.0960	0.000	1	108.9299	0.577	70	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a]){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a]){3|H<1>,4|C<3>}	110.4730	0.000	1	110.4730	0.000	1	110.5898	0.203	5	108.9299	0.577	70	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a]){1|H<1>,2|O<2>,4|C<3>}	110.3470	0.000	1	110.6190	0.266	4	110.5898	0.203	5	108.9299	0.577	70	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:	C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a]){3|H<1>,4|C<3>}	110.7097	0.591	3	110.6190	0.266	4	110.5898	0.203	5	108.9299	0.577	70	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:O[5a]-2:	O[5a](C[5a]C[5a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(O[5a]N[5a])	O[5a](C[5a]C[5a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(O[5a]N[5a]){1|H<1>,3|C<3>}	108.6675	0.306	4	108.6675	0.093	4	108.7570	0.061	7	108.9299	0.577	70	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:O[5a]-2:	O[5a](C[5a]C[5a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(O[5a]N[5a])	O[5a](C[5a]C[5a]2)(N[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(O[5a]N[5a]){1|H<1>,3|C<3>}	108.8010	0.000	1	108.8010	0.000	1	108.7570	0.061	7	108.9299	0.577	70	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:O[5a]-2:	O[5a](C[5a]C[5a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(O[5a]N[5a])	O[5a](C[5a]C[5a]2)(N[5a]C[5a]){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){4|C<3>}	C[5a](C[5a]C[5a]2)(C[5a]C[5a]C)(O[5a]N[5a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	108.9140	0.018	2	108.9140	0.000	2	108.7570	0.061	7	108.9299	0.577	70	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]2)(O[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a]){2|H<1>,3|C<3>}	109.2610	0.000	1	109.0863	0.026	3	108.8149	0.351	56	108.9299	0.577	70	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]2)(O[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a]){2|H<1>,3|C<3>}	108.9990	0.078	2	109.0863	0.026	3	108.8149	0.351	56	108.9299	0.577	70	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){2|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	110.4480	0.000	1	109.8793	0.387	3	108.8149	0.351	56	108.9299	0.577	70	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]){4|C<3>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){2|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]N[5a]){2|H<1>,3|C<3>}	109.5950	0.537	2	109.8793	0.387	3	108.8149	0.351	56	108.9299	0.577	70	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){2|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	108.8817	0.117	3	108.8817	0.014	3	108.8149	0.351	56	108.9299	0.577	70	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	108.1930	0.000	1	108.6971	0.409	10	108.8149	0.351	56	108.9299	0.577	70	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a]){1|C<3>,1|N<2>,3|C<4>}	108.0500	0.000	1	108.6971	0.409	10	108.8149	0.351	56	108.9299	0.577	70	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	108.9720	0.000	1	108.6971	0.409	10	108.8149	0.351	56	108.9299	0.577	70	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	108.1680	0.000	1	108.6971	0.409	10	108.8149	0.351	56	108.9299	0.577	70	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a]){1|C<4>,1|N<2>,3|C<3>}	107.7460	0.000	1	108.6971	0.409	10	108.8149	0.351	56	108.9299	0.577	70	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	108.5750	0.000	1	108.6971	0.409	10	108.8149	0.351	56	108.9299	0.577	70	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a]){2|H<1>,3|C<3>}	109.3167	0.259	4	108.6971	0.409	10	108.8149	0.351	56	108.9299	0.577	70	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|S<4>,2|C<3>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<3>,1|S<4>}	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(O[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	109.9200	0.000	1	109.9200	0.000	1	108.8149	0.351	56	108.9299	0.577	70	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]){1|Br<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|Br<1>,3|C<3>}	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(O[5a]N[5a]){2|H<1>,3|C<3>}	109.1720	0.000	1	109.1720	0.000	1	108.8149	0.351	56	108.9299	0.577	70	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]N[5a]){2|H<1>,3|C<3>}	108.8850	0.330	2	108.9413	0.064	3	108.8149	0.351	56	108.9299	0.577	70	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){4|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]N[5a]){2|H<1>,3|C<3>}	109.0540	0.000	1	108.9413	0.064	3	108.8149	0.351	56	108.9299	0.577	70	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a]){1|H<1>,1|N<3>,5|C<3>}	109.3540	0.000	1	109.2632	0.088	6	108.8149	0.351	56	108.9299	0.577	70	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a]){2|H<1>,5|C<3>}	109.2450	0.328	5	109.2632	0.088	6	108.8149	0.351	56	108.9299	0.577	70	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]){1|Cl<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|Cl<1>,3|C<3>}	C[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(O[5a]N[5a]){1|C<4>,1|N<3>,3|C<3>}	108.7400	0.000	1	108.7400	0.000	1	108.8149	0.351	56	108.9299	0.577	70	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a]){1|H<1>,1|N<3>,3|C<3>}	108.1710	0.619	2	108.3496	0.125	17	108.8149	0.351	56	108.9299	0.577	70	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	108.5775	0.407	2	108.3496	0.125	17	108.8149	0.351	56	108.9299	0.577	70	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a]){2|H<1>,3|C<3>}	108.3420	0.328	13	108.3496	0.125	17	108.8149	0.351	56	108.9299	0.577	70	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]){1|S<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(O[5a]N[5a]){2|H<1>,3|C<3>}	109.4920	0.000	1	109.4920	0.000	1	108.8149	0.351	56	108.9299	0.577	70	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]Cl)(O[5a]C[5a])	C[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]){1|Cl<1>,1|I<1>,2|C<3>}	N[5a](C[5a]C[5a]Cl)(O[5a]C[5a]){1|C<3>,1|I<1>}	C[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(O[5a]N[5a]){1|Cl<1>,2|C<3>,2|H<1>}	108.8480	0.000	1	108.8480	0.000	1	108.8149	0.351	56	108.9299	0.577	70	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]N[5a]){2|C<3>,3|H<1>}	109.2470	0.000	1	109.2470	0.000	1	108.8149	0.351	56	108.9299	0.577	70	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]N[5a]){3|H<1>,4|C<3>}	108.9150	0.000	1	108.9150	0.000	1	108.8149	0.351	56	108.9299	0.577	70	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a]){2|C<3>,3|H<1>}	108.2200	0.000	1	108.2200	0.000	1	108.8149	0.351	56	108.9299	0.577	70	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]N)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]N)(O[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a]){1|N<2>,2|C<3>,2|H<1>}	108.3140	0.071	2	108.3140	0.005	2	108.8149	0.351	56	108.9299	0.577	70	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a])	O[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	109.5940	0.000	1	109.5940	0.000	1	108.8149	0.351	56	108.9299	0.577	70	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	N[5a]-3:C[5a]-3:O[5a]-2:	O[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]N[5a])	O[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]N[5a]){1|H<1>,3|C<3>}	107.1170	0.000	1	107.1170	0.000	1	107.1170	0.000	1	108.9299	0.577	70	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:4:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5]-4:O[5a]-2:	O[5a](C[5a]C[5a]C[5])(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]N)(C[5]C[5]2H)(O[5a]N[5a])	O[5a](C[5a]C[5a]C[5])(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<4>,1|N<3>}	C[5a](C[5a]C[5a]N)(C[5]C[5]2H)(O[5a]N[5a]){1|C<3>,1|H<1>,1|N<3>,1|S<1>,2|C<4>}	110.1330	0.000	1	109.7810	0.248	2	109.7810	0.248	2	109.0693	0.456	7	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:4:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[5]-4:O[5a]-2:	O[5a](C[5a]C[5a]C[5])(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]N)(C[5]C[5]2H)(O[5a]N[5a])	O[5a](C[5a]C[5a]C[5])(N[5a]C[5a]){1|H<1>,1|N<3>,3|C<4>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<4>,1|N<3>}	C[5a](C[5a]C[5a]N)(C[5]C[5]2H)(O[5a]N[5a]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	109.4290	0.000	1	109.7810	0.248	2	109.7810	0.248	2	109.0693	0.456	7	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:4:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6]-4:O[5a]-2:	O[5a](C[5a]C[5a]C[6])(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]N)(C[6]C[6]2H)(O[5a]N[5a])	O[5a](C[5a]C[5a]C[6])(N[5a]C[5a]){1|H<1>,1|N<3>,3|C<4>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<4>,1|N<3>}	C[5a](C[5a]C[5a]N)(C[6]C[6]2H)(O[5a]N[5a]){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	109.6810	0.000	1	109.6810	0.000	1	108.7846	0.268	5	109.0693	0.456	7	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:4:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6]-4:O[5a]-2:	O[5a](C[5a]C[5a]C[6])(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[6]C[6]2O)(O[5a]N[5a])	O[5a](C[5a]C[5a]C[6])(N[5a]C[5a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2O)(O[5a]N[5a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	108.4845	0.086	2	108.5605	0.022	4	108.7846	0.268	5	109.0693	0.456	7	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	3:4:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5a]-3:C[6]-4:O[5a]-2:	O[5a](C[5a]C[5a]C[6])(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[6]C[6]2O)(O[5a]N[5a])	O[5a](C[5a]C[5a]C[6])(N[5a]C[5a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[5a](C[5a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2O)(O[5a]N[5a]){1|C<3>,2|C<4>,4|H<1>}	108.6365	0.189	2	108.5605	0.022	4	108.7846	0.268	5	109.0693	0.456	7	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	4:2:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5,5]-4:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[5,5]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](C[5,5]N[5,5]C[5]O[5])(N[5a]C[5a])(O[5a]N[5a])	O[5a](C[5a]C[5,5]N[5a])(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>}	C[5a](C[5,5]N[5,5]C[5]O[5])(N[5a]C[5a])(O[5a]N[5a]){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	106.1340	0.000	1	106.1340	0.000	1	106.1340	0.000	1	106.1683	0.079	6	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	4:2:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[6]-4:N[5a]-2:O[5a]-2:	O[5a](C[5a]N[5a]C[6])(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a])	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]N[5a])	O[5a](C[5a]N[5a]C[6])(N[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>}	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]N[5a]){1|C<3>,2|C<4>,4|H<1>}	106.4390	0.000	1	106.2225	0.094	2	106.1752	0.098	5	106.1683	0.079	6	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	4:2:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[6]-4:N[5a]-2:O[5a]-2:	O[5a](C[5a]N[5a]C[6])(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a])	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]N[5a])	O[5a](C[5a]N[5a]C[6])(N[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	N[5a](C[5a]C[5a]N[5a])(O[5a]C[5a]){1|C<4>,1|N<2>,1|S<2>}	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]N[5a]){1|C<3>,2|C<4>,4|H<1>}	106.0060	0.000	1	106.2225	0.094	2	106.1752	0.098	5	106.1683	0.079	6	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	4:2:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[6]-4:N[5a]-2:O[5a]-2:	O[5a](C[5a]N[5a]C[6])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]N[5a])	O[5a](C[5a]N[5a]C[6])(N[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>}	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	105.9235	0.018	2	106.1437	0.146	3	106.1752	0.098	5	106.1683	0.079	6	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	4:2:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[6]-4:N[5a]-2:O[5a]-2:	O[5a](C[5a]N[5a]C[6])(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]N[5a])	O[5a](C[5a]N[5a]C[6])(N[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	N[5a](C[5a]C[6a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>}	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]N[5a]){1|C<3>,2|C<4>,4|H<1>}	106.5840	0.000	1	106.1437	0.146	3	106.1752	0.098	5	106.1683	0.079	6	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	4:3:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5]-4:C[5a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[5])(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5]C[5,5]2H)(C[5a]C[5a]N)(O[5a]N[5a])	O[5a](C[5a]C[5a]C[5])(N[5a]C[5a]){1|H<1>,1|N<3>,3|C<4>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<4>,1|N<3>}	C[5a](C[5]C[5,5]2H)(C[5a]C[5a]N)(O[5a]N[5a]){1|C<4>,1|N<3>,5|C<3>}	109.8170	0.000	1	109.8170	0.000	1	109.8770	0.007	2	109.9242	0.034	5	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	4:3:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[5]-4:C[5a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[5])(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]N)(O[5a]N[5a])	O[5a](C[5a]C[5a]C[5])(N[5a]C[5a]){1|H<1>,1|N<3>,3|C<4>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<4>,1|N<3>}	C[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]N)(O[5a]N[5a]){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	109.9370	0.000	1	109.9370	0.000	1	109.8770	0.007	2	109.9242	0.034	5	108.2343	2.646	509	108.1698	2.475	558
537	519	727	5:SP2_SP2_SP2	O[5a]	N[5a]	C[5a]	3:2:	3:2:	4:3:2:	C[5a]-3:N[5a]-2:	C[5a]-3:O[5a]-2:	C[6]-4:C[5a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6])(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[6]C[5,6]C[6,6]H)(C[5a]C[5a]N)(O[5a]N[5a])	O[5a](C[5a]C[5a]C[6])(N[5a]C[5a]){1|H<1>,1|N<3>,3|C<4>}	N[5a](C[5a]C[5a]C)(O[5a]C[5a]){1|C<4>,1|N<3>}	C[5a](C[6]C[5,6]C[6,6]H)(C[5a]C[5a]N)(O[5a]N[5a]){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	109.9557	0.245	3	109.9557	0.060	3	109.9557	0.060	3	109.9242	0.034	5	108.2343	2.646	509	108.1698	2.475	558
537	519	813	5:SP2_SP2_SP2	O[5a]	N[5a]	N[5a]	3:2:	3:2:	3:2:1:	N[5a]-3:N[5a]-2:	C[5a,6]-3:O[5a]-2:	C[5a,6]-3:O[5a]-2:O-1:	O[5a](N[5a]C[5a,6]O)(N[5a]C[5a,6])	N[5a](C[5a,6]C[5a,6]N[5a,6])(O[5a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])(O)	O[5a](N[5a]C[5a,6]O)(N[5a]C[5a,6]){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[5a,6])(O[5a]N[5a]){1|N<2>,1|O<1>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(O[5a]N[5a])(O){1|C<3>,2|N<3>}	108.6380	0.000	1	108.6380	0.000	1	108.6380	0.000	1	108.6380	0.000	1	108.6380	0.000	1	108.6380	0.000	1
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5,5a]	C[5a,6a]	3:4:	2:2:2:2:	3:2:3:	C[5a,6a]-3:B[5,5a]-4:	O[5a]-2:O[5a]-2:O[5]-2:O[5]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2)	B[5,5a](O[5a]C[5a,6a])2(O[5]C[5,6])(O[5]P[5])	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	B[5,5a](O[5a]C[5a,6a])2(O[5]C[5,6])(O[5]P[5]){2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>}	106.9195	0.589	2	106.9195	0.347	2	106.1695	0.362	8	106.0382	0.359	10	106.5985	2.140	39	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5,5a]	C[5a,6a]	3:4:	2:2:2:2:	3:2:3:	C[5a,6a]-3:B[5,5a]-4:	O[5a]-2:O[5a]-2:O[5]-2:O[5]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2)	B[5,5a](O[5a]C[5a,6a])2(O[5]C[5,6])2	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2){1|H<1>,2|C<3>,2|C<4>}	B[5,5a](O[5a]C[5a,6a])2(O[5]C[5,6])2{1|Rh<8>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>}	106.0375	0.349	2	106.0375	0.122	2	106.1695	0.362	8	106.0382	0.359	10	106.5985	2.140	39	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5,5a]	C[5a,6a]	3:4:	2:2:2:2:	3:2:3:	C[5a,6a]-3:B[5,5a]-4:	O[5a]-2:O[5a]-2:O[5]-2:O[5]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2)	B[5,5a](O[5a]C[5a,6a])2(O[5]C[5])(O[5]P[5])	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2){1|H<1>,1|P<4>,3|C<3>}	B[5,5a](O[5a]C[5a,6a])2(O[5]C[5])(O[5]P[5]){1|N<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>}	105.8605	0.418	4	105.8605	0.175	4	106.1695	0.362	8	106.0382	0.359	10	106.5985	2.140	39	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5,5a]	C[5a,6a]	3:4:	2:2:2:2:	3:2:3:	C[5a,6a]-3:B[5,5a]-4:	O[5a]-2:O[5a]-2:O[5]-2:S[5]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]S[5])	B[5,5a](O[5a]C[5a,6a])2(O[5]P[5])(S[5]C[5])	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]S[5]){1|H<1>,1|P<4>,3|C<3>}	B[5,5a](O[5a]C[5a,6a])2(O[5]P[5])(S[5]C[5]){1|S<1>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	105.5130	0.074	2	105.5130	0.005	2	105.5130	0.005	2	106.0382	0.359	10	106.5985	2.140	39	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5,5a]	C[5a,6a]	3:4:	2:2:3:2:	3:2:3:	C[5a,6a]-3:B[5,5a]-4:	O[5a]-2:O[5a]-2:N[5]-3:O[5]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]N[5]O[5])	B[5,5a](O[5a]C[5a,6a])2(N[5]N[5]C)(O[5]P[5])	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]N[5]O[5]){1|H<1>,1|N<2>,1|P<4>,3|C<3>}	B[5,5a](O[5a]C[5a,6a])2(N[5]N[5]C)(O[5]P[5]){2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	105.4180	0.252	4	105.4180	0.064	4	105.4180	0.064	4	105.4180	0.064	4	106.5985	2.140	39	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5,5a]	C[5a,6a]	3:4:	3:2:2:2:	3:2:3:	C[5a,6a]-3:B[5,5a]-4:	O[5]-3:O[5a]-2:O[5a]-2:O[5]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2)	B[5,5a](O[5]C[5,6a]Ag)(O[5a]C[5a,6a])2(O[5]C[5,6a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2){1|Ag<4>,1|C<4>,4|C<3>}	B[5,5a](O[5]C[5,6a]Ag)(O[5a]C[5a,6a])2(O[5]C[5,6a]){4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]C){1|C<3>,1|O<2>,1|O<3>,2|H<1>}	104.6560	0.000	1	104.6560	0.000	1	106.2237	1.145	6	106.2237	1.145	6	106.5985	2.140	39	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5,5a]	C[5a,6a]	3:4:	3:2:2:2:	3:2:3:	C[5a,6a]-3:B[5,5a]-4:	O[5]-3:O[5a]-2:O[5a]-2:O[5]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2)	B[5,5a](O[5]C[5,6a]Ag)(O[5a]C[5a,6a])2(O[5]C[5,6a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2){1|Ag<4>,1|H<1>,4|C<3>}	B[5,5a](O[5]C[5,6a]Ag)(O[5a]C[5a,6a])2(O[5]C[5,6a]){4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|O<3>,2|C<4>}	105.2880	0.000	1	105.2880	0.000	1	106.2237	1.145	6	106.2237	1.145	6	106.5985	2.140	39	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5,5a]	C[5a,6a]	3:4:	3:2:2:2:	3:2:3:	C[5a,6a]-3:B[5,5a]-4:	O[5]-3:O[5a]-2:O[5a]-2:O[5]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2)	B[5,5a](O[5]C[5,6a]Li)(O[5a]C[5a,6a])2(O[5]C[5,6a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2){1|Li<4>,1|H<1>,4|C<3>}	B[5,5a](O[5]C[5,6a]Li)(O[5a]C[5a,6a])2(O[5]C[5,6a]){4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|O<3>,2|H<1>}	107.2985	0.060	2	107.2985	0.004	2	106.2237	1.145	6	106.2237	1.145	6	106.5985	2.140	39	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5,5a]	C[5a,6a]	3:4:	3:2:2:2:	3:2:3:	C[5a,6a]-3:B[5,5a]-4:	O[5]-3:O[5a]-2:O[5a]-2:O[5]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2)	B[5,5a](O[5]C[5,6a]Ni)(O[5a]C[5a,6a])2(O[5]C[5,6a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]O[5]2){1|Ni<4>,1|H<1>,4|C<3>}	B[5,5a](O[5]C[5,6a]Ni)(O[5a]C[5a,6a])2(O[5]C[5,6a]){4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|O<3>,2|H<1>}	106.4005	0.127	2	106.4005	0.016	2	106.2237	1.145	6	106.2237	1.145	6	106.5985	2.140	39	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5,5a]	C[5a,6a]	3:4:	3:3:2:2:	3:2:3:	C[5a,6a]-3:B[5,5a]-4:	N[5]-3:N[5]-3:O[5a]-2:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]N[5]2)	B[5,5a](N[5]C[6a]C[5])2(O[5a]C[5a,6a])2	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5,5a]O[5a]N[5]2){1|C<4>,1|H<1>,5|C<3>}	B[5,5a](N[5]C[6a]C[5])2(O[5a]C[5a,6a])2{1|H<1>,2|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>}	106.7883	0.402	4	106.7883	0.162	4	106.7883	0.162	4	106.7883	0.162	4	106.5985	2.140	39	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5,5a]	C[5a,6a]	3:4:	3:3:3:2:	3:2:3:	C[5a,6a]-3:B[5,5a]-4:	N[5a,6]-3:C[5,6a]-3:C[5,6a]-3:O[5a]-2:	C[5a,6,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5,5a]C[5,6a]2N[5a,6])	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])2(O[5a]C[5a,6a])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5,5a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5,5a]C[5,6a]2N[5a,6]){1|H<1>,7|C<3>}	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])2(O[5a]C[5a,6a]){1|H<1>,2|F<1>,7|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5,5a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	110.5950	0.000	1	110.3170	0.072	3	110.3170	0.072	3	110.3170	0.072	3	106.5985	2.140	39	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5,5a]	C[5a,6a]	3:4:	3:3:3:2:	3:2:3:	C[5a,6a]-3:B[5,5a]-4:	N[5a,6]-3:C[5,6a]-3:C[5,6a]-3:O[5a]-2:	C[5a,6,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5,5a]C[5,6a]2N[5a,6])	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])2(O[5a]C[5a,6a])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5,5a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5,5a]C[5,6a]2N[5a,6]){1|H<1>,7|C<3>}	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])2(O[5a]C[5a,6a]){3|H<1>,7|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5,5a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	110.1780	0.167	2	110.3170	0.072	3	110.3170	0.072	3	110.3170	0.072	3	106.5985	2.140	39	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5,5a]	C[5a,6a]	4:3:	3:2:2:2:	3:2:3:	B[5,5a]-4:C[5a,6a]-3:	N[5,6]-3:O[5a]-2:O[5a]-2:O[5]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](B[5,5a]N[5,6]O[5a]O[5])(C[5a,6a]C[5a,6a]C[6a])	B[5,5a](N[5,6]N[5,6]C[6])(O[5a]C[5a,6a])2(O[5]P[5])	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H)	O[5a](B[5,5a]N[5,6]O[5a]O[5])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|P<4>,2|C<3>}	B[5,5a](N[5,6]N[5,6]C[6])(O[5a]C[5a,6a])2(O[5]P[5]){1|B<4>,1|H<1>,1|P<4>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	106.4035	0.559	2	106.4035	0.313	2	106.4035	0.313	2	106.4035	0.313	2	106.5985	2.140	39	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5,5a]	C[5a,6a]	4:3:	3:3:2:2:	3:2:3:	B[5,5a]-4:C[5a,6a]-3:	C[5,6a]-3:N[5]-3:O[5a]-2:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](B[5,5a]C[5,6a]O[5a]N[5])(C[5a,6a]C[5a,6a]C[6a])	B[5,5a](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(O[5a]C[5a,6a])2	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H)	O[5a](B[5,5a]C[5,6a]O[5a]N[5])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	B[5,5a](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]N[5])(O[5a]C[5a,6a])2{1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	106.2635	0.164	4	106.2635	0.027	4	106.2635	0.027	4	107.1836	4.253	5	106.5985	2.140	39	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5,5a]	C[5a,6a]	4:3:	3:3:2:2:	3:2:3:	B[5,5a]-4:C[5a,6a]-3:	N[5a,6]-3:C[5,6a]-3:O[5a]-2:O[5]-2:	C[5a,6,6a]-3:O[5a]-2:C[6a]-3:	O[5a](B[5,5a]C[5,6a]N[5a,6]O[5])(C[5a,6a]C[5a,6,6a]C[6a])	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(O[5a]C[5a,6a])(O[5]B[5])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5,5a])(C[6a]C[6a]H)	O[5a](B[5,5a]C[5,6a]N[5a,6]O[5])(C[5a,6a]C[5a,6,6a]C[6a]){1|B<3>,1|H<1>,5|C<3>}	B[5,5a](N[5a,6]C[5a,6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(O[5a]C[5a,6a])(O[5]B[5]){1|O<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5,5a])(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	110.8640	0.000	1	110.8640	0.000	1	110.8640	0.000	1	107.1836	4.253	5	106.5985	2.140	39	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5,5a]	C[5a,6a]	4:3:	3:4:2:2:	3:2:3:	B[5,5a]-4:C[5a,6a]-3:	C[5,6a]-3:N[4,5]-4:O[5a]-2:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](B[5,5a]C[5,6a]N[4,5]O[5a])(C[5a,6a]C[5a,6a]C[6a])	B[5,5a](C[5,6a]C[5,6a]C[6a])(N[4,5]C[4]2C[5])(O[5a]C[5a,6a])2	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H)	O[5a](B[5,5a]C[5,6a]N[4,5]O[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,3|C<4>,4|C<3>}	B[5,5a](C[5,6a]C[5,6a]C[6a])(N[4,5]C[4]2C[5])(O[5a]C[5a,6a])2{1|C<4>,4|C<3>,7|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H){1|N<4>,2|C<3>,2|H<1>}	106.2163	0.425	4	106.2163	0.180	4	106.2163	0.180	4	106.2163	0.180	4	106.5985	2.140	39	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5,5a]	C[5a,6a]	4:3:	4:3:2:2:	3:2:3:	B[5,5a]-4:C[5a,6a]-3:	N[5,6]-4:C[5]-3:O[5a]-2:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](B[5,5a]N[5,6]O[5a]C[5])(C[5a,6a]C[5a,6a]C[6a])	B[5,5a](N[5,6]C[5,5]C[6]2)(C[5]C[5,5]N[6])(O[5a]C[5a,6a])2	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H)	O[5a](B[5,5a]N[5,6]O[5a]C[5])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	B[5,5a](N[5,6]C[5,5]C[6]2)(C[5]C[5,5]N[6])(O[5a]C[5a,6a])2{1|N<4>,3|C<3>,4|C<4>,4|H<1>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5,5a])(C[6a]C[6a]H){1|N<4>,2|C<3>,2|H<1>}	106.2530	0.000	1	106.2530	0.000	1	106.2530	0.000	1	106.2530	0.000	1	106.5985	2.140	39	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a,5a]	C[5a,6a]	3:4:	2:2:2:2:	3:2:2:	C[5a,6a]-3:B[5a,5a]-4:	O[5a]-2:O[5a]-2:O[5a]-2:O[5a]-2:	C[5a,6a]-3:O[5a]-2:N[6a]-2:	O[5a](C[5a,6a]C[5a,6a]N[6a])(B[5a,5a]O[5a]3)	B[5a,5a](O[5a]C[5a,6a])4	C[5a,6a](C[5a,6a]N[6a]O[5a])(O[5a]B[5a,5a])(N[6a]C[6a])	O[5a](C[5a,6a]C[5a,6a]N[6a])(B[5a,5a]O[5a]3){1|N<2>,3|C<3>}	B[5a,5a](O[5a]C[5a,6a])4{4|N<2>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(O[5a]B[5a,5a])(N[6a]C[6a]){1|C<2>,1|C<3>,2|O<2>}	107.1605	0.142	4	107.0266	0.039	8	107.0266	0.039	8	107.0266	0.039	8	107.0069	0.413	112	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a,5a]	C[5a,6a]	3:4:	2:2:2:2:	3:2:2:	C[5a,6a]-3:B[5a,5a]-4:	O[5a]-2:O[5a]-2:O[5a]-2:O[5a]-2:	C[5a,6a]-3:O[5a]-2:N[6a]-2:	O[5a](C[5a,6a]C[5a,6a]N[6a])(B[5a,5a]O[5a]3)	B[5a,5a](O[5a]C[5a,6a])4	C[5a,6a](C[5a,6a]N[6a]O[5a])(O[5a]B[5a,5a])(N[6a]C[6a])	O[5a](C[5a,6a]C[5a,6a]N[6a])(B[5a,5a]O[5a]3){1|N<2>,3|C<3>}	B[5a,5a](O[5a]C[5a,6a])4{4|N<2>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(O[5a]B[5a,5a])(N[6a]C[6a]){1|C<3>,1|H<1>,2|O<2>}	106.8928	0.154	4	107.0266	0.039	8	107.0266	0.039	8	107.0266	0.039	8	107.0069	0.413	112	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a,5a]	C[5a,6a]	3:4:	2:2:2:2:	3:2:3:	C[5a,6a]-3:B[5a,5a]-4:	O[5a]-2:O[5a]-2:O[5a]-2:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3)	B[5a,5a](O[5a]C[5a,6a])4	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3){1|C<4>,4|C<3>}	B[5a,5a](O[5a]C[5a,6a])4{4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]C){1|C<3>,2|H<1>,2|O<2>}	107.0232	0.897	4	107.0232	0.805	4	106.7582	0.409	67	106.7582	0.409	67	107.0069	0.413	112	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a,5a]	C[5a,6a]	3:4:	2:2:2:2:	3:2:3:	C[5a,6a]-3:B[5a,5a]-4:	O[5a]-2:O[5a]-2:O[5a]-2:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3)	B[5a,5a](O[5a]C[5a,6a])4	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]Cl)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3){1|Cl<1>,4|C<3>}	B[5a,5a](O[5a]C[5a,6a])4{4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]Cl){2|Cl<1>,1|C<3>,2|O<2>}	106.0662	0.732	4	106.0662	0.536	4	106.7582	0.409	67	106.7582	0.409	67	107.0069	0.413	112	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a,5a]	C[5a,6a]	3:4:	2:2:2:2:	3:2:3:	C[5a,6a]-3:B[5a,5a]-4:	O[5a]-2:O[5a]-2:O[5a]-2:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3)	B[5a,5a](O[5a]C[5a,6a])4	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3){1|H<1>,4|C<3>}	B[5a,5a](O[5a]C[5a,6a])4{4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	106.9140	0.575	6	106.7871	0.357	59	106.7582	0.409	67	106.7582	0.409	67	107.0069	0.413	112	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a,5a]	C[5a,6a]	3:4:	2:2:2:2:	3:2:3:	C[5a,6a]-3:B[5a,5a]-4:	O[5a]-2:O[5a]-2:O[5a]-2:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3)	B[5a,5a](O[5a]C[5a,6a])4	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3){1|H<1>,4|C<3>}	B[5a,5a](O[5a]C[5a,6a])4{4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>}	106.7728	0.604	53	106.7871	0.357	59	106.7582	0.409	67	106.7582	0.409	67	107.0069	0.413	112	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a,5a]	C[5a,6a]	3:4:	2:2:2:2:	3:3:2:	C[5a,6a]-3:B[5a,5a]-4:	O[5a]-2:O[5a]-2:O[5a]-2:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3)	B[5a,5a](O[5a]C[5a,6a])4	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]C[6a])(O[5a]B[5a,5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3){5|C<3>}	B[5a,5a](O[5a]C[5a,6a])4{4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]C[6a])(O[5a]B[5a,5a]){1|H<1>,2|O<2>,4|C<3>}	107.4521	0.429	18	107.4521	0.184	18	107.4354	0.190	36	107.4354	0.190	36	107.0069	0.413	112	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a,5a]	C[5a,6a]	3:4:	2:2:2:2:	3:3:2:	C[5a,6a]-3:B[5a,5a]-4:	O[5a]-2:O[5a]-2:O[5a]-2:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3)	B[5a,5a](O[5a]C[5a,6a])4	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(O[5a]B[5a,5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,5a]O[5a]3){1|H<1>,4|C<3>}	B[5a,5a](O[5a]C[5a,6a])4{4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(O[5a]B[5a,5a]){2|O<2>,3|C<3>}	107.4188	0.456	18	107.4188	0.208	18	107.4354	0.190	36	107.4354	0.190	36	107.0069	0.413	112	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a,5a]	C[5a,6a]	4:3:	3:2:3:2:	3:2:3:	B[5a,5a]-4:C[5a,6a]-3:	N[5a,5a]-3:O[5a]-2:C[6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](B[5a,5a]N[5a,5a]C[6a]O[5a])(C[5a,6a]C[5a,6a]C[6a])	B[5a,5a](N[5a,5a]C[5a,6a]C[5a])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[5a]N[5a])	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(O[5a]B[5a,5a])(C[6a]C[6a]H)	O[5a](B[5a,5a]N[5a,5a]C[6a]O[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,5|C<3>}	B[5a,5a](N[5a,5a]C[5a,6a]C[5a])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[5a]N[5a]){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(O[5a]B[5a,5a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	108.0900	0.000	1	108.0900	0.000	1	108.0900	0.000	1	108.0900	0.000	1	107.0069	0.413	112	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a,6]	C[5a,6a]	3:4:	2:2:2:2:	3:2:3:	C[5a,6a]-3:B[5a,6]-4:	O[5a]-2:O[5a]-2:O[6]-2:O[6]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]2)	B[5a,6](O[5a]C[5a,6a])2(O[6]C[6])2	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]2){5|C<3>}	B[5a,6](O[5a]C[5a,6a])2(O[6]C[6])2{5|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]2){2|H<1>,2|O<2>,3|C<3>}	106.5637	0.431	6	106.5637	0.186	6	106.3045	0.248	24	106.3045	0.248	24	106.8347	1.768	87	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a,6]	C[5a,6a]	3:4:	2:2:2:2:	3:2:3:	C[5a,6a]-3:B[5a,6]-4:	O[5a]-2:O[5a]-2:O[6]-2:O[6]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]2)	B[5a,6](O[5a]C[5a,6a])2(O[6]C[6])2	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]2){1|H<1>,4|C<3>}	B[5a,6](O[5a]C[5a,6a])2(O[6]C[6])2{5|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>}	106.1050	0.497	10	106.2687	0.258	16	106.3045	0.248	24	106.3045	0.248	24	106.8347	1.768	87	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a,6]	C[5a,6a]	3:4:	2:2:2:2:	3:2:3:	C[5a,6a]-3:B[5a,6]-4:	O[5a]-2:O[5a]-2:O[6]-2:O[6]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]2)	B[5a,6](O[5a]C[5a,6a])2(O[6]C[6])2	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]2){1|H<1>,4|C<3>}	B[5a,6](O[5a]C[5a,6a])2(O[6]C[6])2{5|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|O<2>}	106.5415	0.432	6	106.2687	0.258	16	106.3045	0.248	24	106.3045	0.248	24	106.8347	1.768	87	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a,6]	C[5a,6a]	3:4:	2:2:2:2:	3:2:3:	C[5a,6a]-3:B[5a,6]-4:	O[5a]-2:O[5a]-2:O[6]-2:O[6]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]2)	B[5a,6](O[5a]C[5a,6a])2(O[6]N[6])(O[6]P[6])	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]2){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	B[5a,6](O[5a]C[5a,6a])2(O[6]N[6])(O[6]P[6]){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>}	105.8130	0.034	2	105.8130	0.001	2	106.3045	0.248	24	106.3045	0.248	24	106.8347	1.768	87	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a,6]	C[5a,6a]	3:4:	2:2:2:2:	3:3:2:	C[5a,6a]-3:B[5a,6]-4:	O[5a]-2:O[5a]-2:O[6]-2:O[6]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]2)	B[5a,6](O[5a]C[5a,6a])2(O[6]C[6])2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(O[5a]B[5a,6])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]2){1|H<1>,4|C<3>}	B[5a,6](O[5a]C[5a,6a])2(O[6]C[6])2{5|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(O[5a]B[5a,6]){1|H<1>,2|C<3>,2|O<2>}	106.3275	0.197	2	106.3275	0.039	2	106.3275	0.039	2	106.3275	0.039	2	106.8347	1.768	87	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a,6]	C[5a,6a]	3:4:	2:2:4:2:	3:2:3:	C[5a,6a]-3:B[5a,6]-4:	O[5a]-2:O[5a]-2:P[6]-4:O[6]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]P[6])	B[5a,6](O[5a]C[5a,6a])2(P[6]O[6]CC)(O[6]P[6])	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]O[6]P[6]){1|H<1>,1|O<2>,1|P<4>,2|C<3>,2|C<4>}	B[5a,6](O[5a]C[5a,6a])2(P[6]O[6]CC)(O[6]P[6]){1|B<4>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|P<4>,2|H<1>}	105.7910	0.214	2	105.7910	0.046	2	105.7910	0.046	2	105.7910	0.046	2	106.8347	1.768	87	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a,6]	C[5a,6a]	3:4:	3:2:2:1:	3:2:3:	C[5a,6a]-3:B[5a,6]-4:	N[5a,6]-3:O[5a]-2:O[6]-2:F-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]O[6]F)	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(O[6]C[6,6a])(F)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]O[6]F){1|H<1>,4|C<3>}	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(O[6]C[6,6a])(F){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|Cl<1>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	107.8230	0.783	2	107.8230	0.614	2	107.8230	0.614	2	107.8230	0.614	2	106.8347	1.768	87	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a,6]	C[5a,6a]	3:4:	3:2:2:2:	3:2:3:	C[5a,6a]-3:B[5a,6]-4:	N[6]-3:O[5a]-2:O[5a]-2:O[6]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]O[6])	B[5a,6](N[6]C[6a]C[6])(O[5a]C[5a,6a])2(O[6]C[6,6a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]O[5a]N[6]O[6]){1|H<1>,5|C<3>}	B[5a,6](N[6]C[6a]C[6])(O[5a]C[5a,6a])2(O[6]C[6,6a]){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	105.7770	0.013	2	105.7770	0.000	2	105.7770	0.000	2	105.7770	0.000	2	106.8347	1.768	87	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a,6]	C[5a,6a]	3:4:	3:2:3:1:	3:2:3:	C[5a,6a]-3:B[5a,6]-4:	N[5a,6]-3:O[5a]-2:N[6]-3:F-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]N[6]F)	B[5a,6](N[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(N[6]C[5a,6]S)(F)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(O[5a]B[5a,6])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]N[6]F){1|H<1>,1|N<2>,1|S<4>,3|C<3>}	B[5a,6](N[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(N[6]C[5a,6]S)(F){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a,6])(O[5a]B[5a,6])(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	108.3010	0.000	1	108.3010	0.000	1	108.3010	0.000	1	108.3010	0.000	1	106.8347	1.768	87	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a,6]	C[5a,6a]	3:4:	3:3:2:1:	3:2:3:	C[5a,6a]-3:B[5a,6]-4:	N[5a,6]-3:N[6]-3:O[5a]-2:F-1:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]N[6]F)	B[5a,6](N[5a,6]C[5a,6a]C[6])(N[6]C[6a]C[6])(O[5a]C[5a,6a])(F)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]N[6]F){1|H<1>,5|C<3>}	B[5a,6](N[5a,6]C[5a,6a]C[6])(N[6]C[6a]C[6])(O[5a]C[5a,6a])(F){2|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	106.9300	0.000	1	106.9300	0.000	1	106.9300	0.000	1	106.9300	0.000	1	106.8347	1.768	87	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a,6]	C[5a,6a]	3:4:	3:3:2:2:	3:2:3:	C[5a,6a]-3:B[5a,6]-4:	N[5,6]-3:N[5,6]-3:O[5a]-2:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5,6]2O[5a])	B[5a,6](N[5,6]C[5,6]C[5])2(O[5a]C[5a,6a])2	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5,6]2O[5a]){1|H<1>,2|C<4>,4|C<3>}	B[5a,6](N[5,6]C[5,6]C[5])2(O[5a]C[5a,6a])2{2|O<2>,3|C<3>,6|C<4>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>}	107.2705	0.353	2	107.2705	0.125	2	107.2705	0.125	2	106.9808	0.237	16	106.8347	1.768	87	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a,6]	C[5a,6a]	3:4:	3:3:2:2:	3:2:3:	C[5a,6a]-3:B[5a,6]-4:	N[5a,6]-3:N[5a,6]-3:O[5a]-2:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]2O[5a])	B[5a,6](N[5a,6]C[5a,6]C[5a])2(O[5a]C[5a,6a])2	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]2O[5a]){1|H<1>,6|C<3>}	B[5a,6](N[5a,6]C[5a,6]C[5a])2(O[5a]C[5a,6a])2{2|C<4>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>}	107.4400	0.000	1	106.7824	0.103	12	106.7824	0.103	12	106.9808	0.237	16	106.8347	1.768	87	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a,6]	C[5a,6a]	3:4:	3:3:2:2:	3:2:3:	C[5a,6a]-3:B[5a,6]-4:	N[5a,6]-3:N[5a,6]-3:O[5a]-2:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]2O[5a])	B[5a,6](N[5a,6]C[5a,6]C[5a])2(O[5a]C[5a,6a])2	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]2O[5a]){1|H<1>,6|C<3>}	B[5a,6](N[5a,6]C[5a,6]C[5a])2(O[5a]C[5a,6a])2{2|C<4>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<3>}	106.9350	0.000	1	106.7824	0.103	12	106.7824	0.103	12	106.9808	0.237	16	106.8347	1.768	87	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a,6]	C[5a,6a]	3:4:	3:3:2:2:	3:2:3:	C[5a,6a]-3:B[5a,6]-4:	N[5a,6]-3:N[5a,6]-3:O[5a]-2:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]2O[5a])	B[5a,6](N[5a,6]C[5a,6]C[5a])2(O[5a]C[5a,6a])2	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]2O[5a]){1|H<1>,6|C<3>}	B[5a,6](N[5a,6]C[5a,6]C[5a])2(O[5a]C[5a,6a])2{2|H<1>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<3>}	106.4780	0.277	4	106.7824	0.103	12	106.7824	0.103	12	106.9808	0.237	16	106.8347	1.768	87	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a,6]	C[5a,6a]	3:4:	3:3:2:2:	3:2:3:	C[5a,6a]-3:B[5a,6]-4:	N[5a,6]-3:N[5a,6]-3:O[5a]-2:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]2O[5a])	B[5a,6](N[5a,6]C[5a,6]C[5a])2(O[5a]C[5a,6a])2	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]2O[5a]){1|H<1>,6|C<3>}	B[5a,6](N[5a,6]C[5a,6]C[5a])2(O[5a]C[5a,6a])2{9|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|H<1>,2|C<3>,2|N<3>}	106.8503	0.096	6	106.7824	0.103	12	106.7824	0.103	12	106.9808	0.237	16	106.8347	1.768	87	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a,6]	C[5a,6a]	3:4:	3:3:2:2:	3:2:3:	C[5a,6a]-3:B[5a,6]-4:	N[5a,6]-3:N[6]-3:O[5a]-2:O-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]N[6]O)	B[5a,6](N[5a,6]C[5a,6a]C[6])(N[6]C[6a]C[6])(O[5a]C[5a,6a])(OB[5a,6])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]N[6]O){1|H<1>,5|C<3>}	B[5a,6](N[5a,6]C[5a,6a]C[6])(N[6]C[6a]C[6])(O[5a]C[5a,6a])(OB[5a,6]){2|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	107.8810	0.180	2	107.8810	0.032	2	107.8810	0.032	2	106.9808	0.237	16	106.8347	1.768	87	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a,6]	C[5a,6a]	3:4:	3:3:2:2:	3:3:2:	C[5a,6a]-3:B[5a,6]-4:	N[5a,6]-3:N[5a,6]-3:O[5a]-2:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]2O[5a])	B[5a,6](N[5a,6]C[5a,6]C[5a])2(O[5a]C[5a,6a])2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(O[5a]B[5a,6])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]2O[5a]){1|H<1>,6|C<3>}	B[5a,6](N[5a,6]C[5a,6]C[5a])2(O[5a]C[5a,6a])2{2|C<4>,7|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(O[5a]B[5a,6]){1|H<1>,2|C<3>,2|N<3>}	106.8217	0.354	6	106.8217	0.125	6	106.3110	0.426	12	106.3110	0.426	12	106.8347	1.768	87	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a,6]	C[5a,6a]	3:4:	3:3:2:2:	3:3:2:	C[5a,6a]-3:B[5a,6]-4:	N[5a,6]-3:N[5a,6]-3:O[5a]-2:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]2O[5a])	B[5a,6](N[5a,6]C[5a,6]C[5a])2(O[5a]C[5a,6a])2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C[6])(O[5a]B[5a,6])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a,6]N[5a,6]2O[5a]){7|C<3>}	B[5a,6](N[5a,6]C[5a,6]C[5a])2(O[5a]C[5a,6a])2{9|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]C[6])(O[5a]B[5a,6]){2|H<1>,2|N<3>,3|C<3>}	105.8003	0.431	6	105.8003	0.186	6	106.3110	0.426	12	106.3110	0.426	12	106.8347	1.768	87	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a,6]	C[5a,6a]	3:4:	3:3:3:2:	3:2:3:	C[5a,6a]-3:B[5a,6]-4:	N[5a,6]-3:C[5a,6]-3:C[5a,6]-3:O[5a]-2:	C[5a,6,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a,6]C[5a,6]2N[5a,6])	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5a,6])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a,6]C[5a,6]2N[5a,6]){1|H<1>,1|S<2>,6|C<3>}	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O[5a]C[5a,6a]){1|B<4>,1|S<2>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5a,6])(C[6a]C[6a]H){1|H<1>,5|C<3>}	110.2920	0.000	1	110.2920	0.000	1	110.2920	0.000	1	110.4896	0.101	7	106.8347	1.768	87	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a,6]	C[5a,6a]	3:4:	3:3:3:2:	3:2:3:	C[5a,6a]-3:B[5a,6]-4:	N[5a,6]-3:C[6,6a]-3:C[6,6a]-3:O[5a]-2:	C[5a,6,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a,6]C[6,6a]2N[5a,6])	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])2(O[5a]C[5a,6a])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5a,6])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a,6]C[6,6a]2N[5a,6]){1|H<1>,7|C<3>}	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])2(O[5a]C[5a,6a]){1|B<4>,3|H<1>,7|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5a,6])(C[6a]C[6a]H){1|H<1>,5|C<3>}	110.6740	0.116	4	110.5225	0.112	6	110.5225	0.112	6	110.4896	0.101	7	106.8347	1.768	87	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a,6]	C[5a,6a]	3:4:	3:3:3:2:	3:2:3:	C[5a,6a]-3:B[5a,6]-4:	N[5a,6]-3:C[6,6a]-3:C[6,6a]-3:O[5a]-2:	C[5a,6,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a,6]C[6,6a]2N[5a,6])	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])2(O[5a]C[5a,6a])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5a,6])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a,6]C[6,6a]2N[5a,6]){1|H<1>,7|C<3>}	B[5a,6](N[5a,6]C[5a,6,6a]C[6])(C[6,6a]C[6,6a]C[6a])2(O[5a]C[5a,6a]){1|Cl<1>,1|B<4>,2|H<1>,7|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(O[5a]B[5a,6])(C[6a]C[6a]H){1|H<1>,5|C<3>}	110.2195	0.496	2	110.5225	0.112	6	110.5225	0.112	6	110.4896	0.101	7	106.8347	1.768	87	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a,6]	C[5a,6a]	4:3:	3:2:2:2:	3:2:3:	B[5a,6]-4:C[5a,6a]-3:	C[6,6a]-3:O[5a]-2:O[5a]-2:O[6]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](B[5a,6]C[6,6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(O[6]C[6])	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	O[5a](B[5a,6]C[6,6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(O[6]C[6]){1|P<4>,3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	106.5465	0.549	2	106.5465	0.302	2	106.1313	0.173	6	105.9192	0.229	14	106.8347	1.768	87	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a,6]	C[5a,6a]	4:3:	3:2:2:2:	3:2:3:	B[5a,6]-4:C[5a,6a]-3:	C[6,6a]-3:O[5a]-2:O[5a]-2:O[6]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](B[5a,6]C[6,6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(O[6]N[6])	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	O[5a](B[5a,6]C[6,6a]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(O[6]N[6]){1|C<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	105.9237	0.124	4	105.9237	0.015	4	106.1313	0.173	6	105.9192	0.229	14	106.8347	1.768	87	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a,6]	C[5a,6a]	4:3:	3:2:2:2:	3:2:3:	B[5a,6]-4:C[5a,6a]-3:	N[5,6]-3:O[5a]-2:O[5a]-2:O[6]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](B[5a,6]N[5,6]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])	B[5a,6](N[5,6]N[5,6]P[5])(O[5a]C[5a,6a])2(O[6]P[6])	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	O[5a](B[5a,6]N[5,6]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,2|P<4>}	B[5a,6](N[5,6]N[5,6]P[5])(O[5a]C[5a,6a])2(O[6]P[6]){1|B<4>,1|O<2>,2|C<3>,5|C<4>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	105.1305	0.313	2	105.1305	0.098	2	105.1305	0.098	2	105.9192	0.229	14	106.8347	1.768	87	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a,6]	C[5a,6a]	4:3:	3:2:2:2:	3:2:3:	B[5a,6]-4:C[5a,6a]-3:	N[6,6]-3:O[5a]-2:O[5a]-2:O[6]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](B[5a,6]N[6,6]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a])	B[5a,6](N[6,6]C[6,6]C[6])(O[5a]C[5a,6a])2(O[6]C[6])	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	O[5a](B[5a,6]N[6,6]O[5a]O[6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	B[5a,6](N[6,6]C[6,6]C[6])(O[5a]C[5a,6a])2(O[6]C[6]){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	105.9700	0.311	6	105.9700	0.097	6	105.9700	0.097	6	105.9192	0.229	14	106.8347	1.768	87	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a,6]	C[5a,6a]	4:3:	3:2:2:3:	3:2:3:	B[5a,6]-4:C[5a,6a]-3:	C[6,6a]-3:O[5a]-2:O[5a]-2:N[6]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](B[5a,6]C[6,6a]O[5a]N[6])(C[5a,6a]C[5a,6a]C[6a])	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(N[6]C[6]H)	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H)	O[5a](B[5a,6]C[6,6a]O[5a]N[6])(C[5a,6a]C[5a,6a]C[6a]){2|H<1>,5|C<3>}	B[5a,6](C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])2(N[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	107.7585	0.233	2	107.7585	0.054	2	107.7585	0.054	2	107.7585	0.054	2	106.8347	1.768	87	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a,6]	C[5a,6a]	4:3:	3:2:3:2:	3:2:3:	B[5a,6]-4:C[5a,6a]-3:	N[5a,6]-3:O[5a]-2:C[6a]-3:O[6]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](B[5a,6]N[5a,6]C[6a]O[6])(C[5a,6a]C[5a,6a]C[6a])	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[6]C[6,6a])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H)	O[5a](B[5a,6]N[5a,6]C[6a]O[6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,6|C<3>}	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[6]C[6,6a]){3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	109.1850	0.000	1	108.7015	0.468	2	108.7015	0.468	2	108.7015	0.468	2	106.8347	1.768	87	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a,6]	C[5a,6a]	4:3:	3:2:3:2:	3:2:3:	B[5a,6]-4:C[5a,6a]-3:	N[5a,6]-3:O[5a]-2:C[6a]-3:O[6]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](B[5a,6]N[5a,6]C[6a]O[6])(C[5a,6a]C[5a,6a]C[6a])	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[6]C[6,6a])	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H)	O[5a](B[5a,6]N[5a,6]C[6a]O[6])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,6|C<3>}	B[5a,6](N[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(O[6]C[6,6a]){3|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(O[5a]B[5a,6])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	108.2180	0.000	1	108.7015	0.468	2	108.7015	0.468	2	108.7015	0.468	2	106.8347	1.768	87	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a,6]	3:4:	2:2:1:1:	3:3:2:	C[5a,6]-3:B[5a]-4:	O[5a]-2:O[5a]-2:F-1:F-1:	C[5a,6]-3:C[6]-3:O[5a]-2:	O[5a](C[5a,6]C[5a,6]C[6])(B[5a]O[5a]FF)	B[5a](O[5a]C[5a,6])2(F)2	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[6]C[6a]O[6])(O[5a]B[5a])	O[5a](C[5a,6]C[5a,6]C[6])(B[5a]O[5a]FF){1|O<2>,2|C<3>}	B[5a](O[5a]C[5a,6])2(F)2{2|C<3>}	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[6]C[6a]O[6])(O[5a]B[5a]){2|F<1>,4|C<3>}	106.4440	0.000	1	106.4440	0.000	1	106.4440	0.000	1	106.9865	0.589	2	106.8432	0.445	4	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a,6]	3:4:	2:2:1:1:	3:3:2:	C[5a,6]-3:B[5a]-4:	O[5a]-2:O[5a]-2:F-1:F-1:	C[6,6a]-3:C[5a,6]-3:O[5a]-2:	O[5a](C[5a,6]C[5a,6]C[6,6a])(B[5a]O[5a]FF)	B[5a](O[5a]C[5a,6])2(F)2	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]O[5a]C[6])(O[5a]B[5a])	O[5a](C[5a,6]C[5a,6]C[6,6a])(B[5a]O[5a]FF){3|C<3>}	B[5a](O[5a]C[5a,6])2(F)2{2|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]O[5a]C[6])(O[5a]B[5a]){1|H<1>,1|O<2>,2|F<1>,3|C<3>}	107.5290	0.000	1	107.5290	0.000	1	107.5290	0.000	1	106.9865	0.589	2	106.8432	0.445	4	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a,6]	4:3:	3:2:2:3:	3:2:3:	B[5a]-4:C[5a,6]-3:	N[6]-3:O[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6]-3:O[5a]-2:C[6]-3:	O[5a](B[5a]C[6a]O[5a]N[6])(C[5a,6]C[5a,6]C[6])	B[5a](N[6]C[5a,6]C[6])(O[5a]C[5a,6])2(C[6a]C[6a]2)	C[5a,6](C[5a,6]O[5a]N[6])(O[5a]B[5a])(C[6]C[6]H)	O[5a](B[5a]C[6a]O[5a]N[6])(C[5a,6]C[5a,6]C[6]){1|H<1>,1|N<3>,5|C<3>}	B[5a](N[6]C[5a,6]C[6])(O[5a]C[5a,6])2(C[6a]C[6a]2){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[5a,6](C[5a,6]O[5a]N[6])(O[5a]B[5a])(C[6]C[6]H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	107.2760	0.000	1	107.2760	0.000	1	107.2760	0.000	1	107.2760	0.000	1	106.8432	0.445	4	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a,6]	4:3:	3:2:2:3:	3:3:2:	B[5a]-4:C[5a,6]-3:	N[6]-3:O[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6]-3:N[6]-3:O[5a]-2:	O[5a](B[5a]C[6a]O[5a]N[6])(C[5a,6]C[5a,6]N[6])	B[5a](N[6]C[5a,6]C[6])(O[5a]C[5a,6])2(C[6a]C[6a]2)	C[5a,6](C[5a,6]O[5a]C[6])(N[6]B[5a]C[6])(O[5a]B[5a])	O[5a](B[5a]C[6a]O[5a]N[6])(C[5a,6]C[5a,6]N[6]){1|B<4>,6|C<3>}	B[5a](N[6]C[5a,6]C[6])(O[5a]C[5a,6])2(C[6a]C[6a]2){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[5a,6](C[5a,6]O[5a]C[6])(N[6]B[5a]C[6])(O[5a]B[5a]){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	106.1240	0.000	1	106.1240	0.000	1	106.1240	0.000	1	106.1240	0.000	1	106.8432	0.445	4	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a,6a]	3:4:	2:2:2:2:	3:3:2:	C[5a,6a]-3:B[5a]-4:	O[5a]-2:O[5a]-2:O-2:O-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]OO)	B[5a](O[5a]C[5a,6a])2(OP)2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]OO){1|H<1>,2|C<3>}	B[5a](O[5a]C[5a,6a])2(OP)2{2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,2|H<1>,2|O<2>}	105.9510	0.061	2	105.9510	0.004	2	105.9510	0.004	2	105.9510	0.004	2	107.1918	4.116	111	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a,6a]	3:4:	2:2:3:2:	3:3:2:	C[5a,6a]-3:B[5a]-4:	O[5a]-2:O[5a]-2:C[6]-3:O-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]C[6]O)	B[5a](O[5a]C[5a,6a])2(C[6]B[6]N[6])(OC[6a])	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]C[6]O){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	B[5a](O[5a]C[5a,6a])2(C[6]B[6]N[6])(OC[6a]){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|O<2>,2|C<3>,2|H<1>}	106.0080	0.011	2	106.0080	0.000	2	106.0080	0.000	2	106.9629	0.286	14	107.1918	4.116	111	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a,6a]	3:4:	2:2:3:2:	3:3:2:	C[5a,6a]-3:B[5a]-4:	O[5a]-2:O[5a]-2:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]O)	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(OC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]O){1|H<1>,4|C<3>}	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(OC){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|O<2>,2|C<3>,2|H<1>}	107.1093	0.375	10	107.1093	0.141	10	107.1220	0.145	12	106.9629	0.286	14	107.1918	4.116	111	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a,6a]	3:4:	2:2:3:2:	3:3:2:	C[5a,6a]-3:B[5a]-4:	O[5a]-2:O[5a]-2:C[6a]-3:O-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]O)	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(OH)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]O){1|H<1>,4|C<3>}	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(OH){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|O<2>,2|C<3>,2|H<1>}	107.1855	0.562	2	107.1855	0.316	2	107.1220	0.145	12	106.9629	0.286	14	107.1918	4.116	111	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a,6a]	3:4:	2:2:3:3:	3:3:2:	C[5a,6a]-3:B[5a]-4:	O[5a]-2:O[5a]-2:B[5a]-3:C[5]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a]C[5])	B[5a](O[5a]C[5a,6a])2(B[5a]O[5a]2)(C[5]N[5]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a]C[5]){1|H<1>,2|C<3>,2|N<3>,2|O<2>}	B[5a](O[5a]C[5a,6a])2(B[5a]O[5a]2)(C[5]N[5]2){2|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|B<3>,2|C<3>,2|H<1>}	106.2193	0.285	4	106.2193	0.081	4	106.2193	0.081	4	105.8195	0.417	36	107.1918	4.116	111	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a,6a]	3:4:	2:2:3:3:	3:3:2:	C[5a,6a]-3:B[5a]-4:	O[5a]-2:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a])	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)2	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[3x6a]C[6a])(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a]){7|C<3>}	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)2{4|F<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[3x6a]C[6a])(O[5a]B[5a]){1|H<1>,6|C<3>}	106.2345	0.653	4	106.1420	0.284	6	105.7032	0.537	14	105.8195	0.417	36	107.1918	4.116	111	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a,6a]	3:4:	2:2:3:3:	3:3:2:	C[5a,6a]-3:B[5a]-4:	O[5a]-2:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a])	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)2	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[3x6a]C[6a])(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a]){7|C<3>}	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)2{4|F<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[3x6a]C[6a])(O[5a]B[5a]){1|P<4>,6|C<3>}	105.9570	0.197	2	106.1420	0.284	6	105.7032	0.537	14	105.8195	0.417	36	107.1918	4.116	111	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a,6a]	3:4:	2:2:3:3:	3:3:2:	C[5a,6a]-3:B[5a]-4:	O[5a]-2:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a])	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)2	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a]){7|C<3>}	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)2{4|F<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a]){1|H<1>,6|C<3>}	105.3097	0.742	7	105.3741	0.505	8	105.7032	0.537	14	105.8195	0.417	36	107.1918	4.116	111	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a,6a]	3:4:	2:2:3:3:	3:3:2:	C[5a,6a]-3:B[5a]-4:	O[5a]-2:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a])	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)2	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2O[5a]){7|C<3>}	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)2{4|F<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a]){1|P<4>,6|C<3>}	105.8250	0.000	1	105.3741	0.505	8	105.7032	0.537	14	105.8195	0.417	36	107.1918	4.116	111	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a,6a]	3:4:	2:2:3:3:	3:3:2:	C[5a,6a]-3:B[5a]-4:	O[5a]-2:O[5a]-2:C[6a]-3:N[5]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]N[5])	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(N[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]N[5]){1|H<1>,6|C<3>}	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(N[5]C[5]2){1|N<3>,4|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|N<3>,2|C<3>,2|H<1>}	105.8316	0.619	12	105.8316	0.383	12	105.8316	0.383	12	105.8195	0.417	36	107.1918	4.116	111	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a,6a]	3:4:	2:2:3:3:	3:3:2:	C[5a,6a]-3:B[5a]-4:	O[5a]-2:O[5a]-2:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]N[6])	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]N[6]){1|H<1>,6|C<3>}	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(N[6]C[6]2){4|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]H)(O[5a]B[5a]){1|H<1>,1|N<3>,3|C<3>}	106.6530	0.018	2	106.6530	0.000	2	105.8000	0.469	6	105.8195	0.417	36	107.1918	4.116	111	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a,6a]	3:4:	2:2:3:3:	3:3:2:	C[5a,6a]-3:B[5a]-4:	O[5a]-2:O[5a]-2:C[6a]-3:N[6]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]N[6])	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]C[6a]O[5a]N[6]){1|H<1>,6|C<3>}	B[5a](O[5a]C[5a,6a])2(C[6a]C[6a]2)(N[6]C[6]2){4|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|N<3>,2|C<3>,2|H<1>}	105.3735	0.231	4	105.3735	0.053	4	105.8000	0.469	6	105.8195	0.417	36	107.1918	4.116	111	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a,6a]	3:4:	2:2:3:4:	3:3:2:	C[5a,6a]-3:B[5a]-4:	O[5a]-2:O[5a]-2:N[6]-3:C-4:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]N[6]C)	B[5a](O[5a]C[5a,6a])2(N[6]C[6]2)(CH3)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]N[6]C){1|H<1>,4|C<3>}	B[5a](O[5a]C[5a,6a])2(N[6]C[6]2)(CH3){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	105.5778	0.537	4	105.5778	0.288	4	105.5778	0.288	4	105.5778	0.288	4	107.1918	4.116	111	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a,6a]	3:4:	2:2:4:1:	3:3:2:	C[5a,6a]-3:B[5a]-4:	O[5a]-2:O[5a]-2:N-4:Cl-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]ClN)	B[5a](O[5a]C[5a,6a])2(NC3)(Cl)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]ClN){1|H<1>,2|C<3>}	B[5a](O[5a]C[5a,6a])2(NC3)(Cl){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Cl<1>,1|C<3>,1|N<4>,2|H<1>}	106.0180	0.110	2	106.0180	0.012	2	106.0180	0.012	2	105.5523	0.517	12	107.1918	4.116	111	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a,6a]	3:4:	2:2:4:1:	3:3:2:	C[5a,6a]-3:B[5a]-4:	O[5a]-2:O[5a]-2:P-4:Cl-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]ClP)	B[5a](O[5a]C[5a,6a])2(PC3)(Cl)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]ClP){1|H<1>,2|C<3>}	B[5a](O[5a]C[5a,6a])2(PC3)(Cl){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Cl<1>,1|C<3>,1|P<4>,2|H<1>}	105.2174	0.248	8	105.2174	0.061	8	105.4591	0.573	10	105.5523	0.517	12	107.1918	4.116	111	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a,6a]	3:4:	2:2:4:1:	3:3:2:	C[5a,6a]-3:B[5a]-4:	O[5a]-2:O[5a]-2:P-4:Cl-1:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]ClP)	B[5a](O[5a]C[5a,6a])2(PC[6]3)(Cl)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]ClP){1|H<1>,2|C<3>}	B[5a](O[5a]C[5a,6a])2(PC[6]3)(Cl){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|Cl<1>,1|C<3>,1|P<4>,2|H<1>}	106.4260	1.546	2	106.4260	2.389	2	105.4591	0.573	10	105.5523	0.517	12	107.1918	4.116	111	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a,6a]	3:4:	2:2:4:3:	3:3:2:	C[5a,6a]-3:B[5a]-4:	O[5a]-2:O[5a]-2:C-4:N[6]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]N[6]C)	B[5a](O[5a]C[5a,6a])2(CC[6a]SiH)(N[6]C[6]2)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]O[5a]N[6]C){1|H<1>,4|C<3>}	B[5a](O[5a]C[5a,6a])2(CC[6a]SiH)(N[6]C[6]2){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	105.3978	0.330	6	105.3978	0.109	6	105.3978	0.109	6	105.3978	0.109	6	107.1918	4.116	111	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a,6a]	3:4:	3:2:3:2:	3:3:2:	C[5a,6a]-3:B[5a]-4:	N[5a,6]-3:O[5a]-2:C[6a]-3:O-2:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]O)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(OB[5a])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]O){1|H<1>,5|C<3>}	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)(OB[5a]){1|H<1>,2|F<1>,5|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a]){1|H<1>,1|O<2>,4|C<3>}	111.1720	0.057	2	111.1720	0.003	2	111.1720	0.003	2	111.1720	0.003	2	107.1918	4.116	111	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a,6a]	3:4:	3:2:3:3:	3:3:2:	C[5a,6a]-3:B[5a]-4:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]Br)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2){1|Br<1>,7|C<3>}	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{5|H<1>,7|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]Br)(O[5a]B[5a]){1|H<1>,5|C<3>}	110.3250	0.000	1	110.3250	0.000	1	109.7354	1.416	29	109.7484	1.372	30	107.1918	4.116	111	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a,6a]	3:4:	3:2:3:3:	3:3:2:	C[5a,6a]-3:B[5a]-4:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2){1|H<1>,7|C<3>}	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{1|C<4>,4|H<1>,7|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a]){1|H<1>,5|C<3>}	109.4540	0.000	1	109.7110	1.563	26	109.7354	1.416	29	109.7484	1.372	30	107.1918	4.116	111	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a,6a]	3:4:	3:2:3:3:	3:3:2:	C[5a,6a]-3:B[5a]-4:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2){1|H<1>,7|C<3>}	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{1|F<1>,1|N<2>,3|H<1>,7|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a]){1|H<1>,5|C<3>}	110.0332	0.345	4	109.7110	1.563	26	109.7354	1.416	29	109.7484	1.372	30	107.1918	4.116	111	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a,6a]	3:4:	3:2:3:3:	3:3:2:	C[5a,6a]-3:B[5a]-4:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2){1|H<1>,7|C<3>}	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{1|F<1>,1|N<2>,4|H<1>,6|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a]){1|H<1>,5|C<3>}	108.7057	1.454	9	109.7110	1.563	26	109.7354	1.416	29	109.7484	1.372	30	107.1918	4.116	111	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a,6a]	3:4:	3:2:3:3:	3:3:2:	C[5a,6a]-3:B[5a]-4:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2){1|H<1>,7|C<3>}	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{1|F<1>,2|H<1>,9|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a]){1|H<1>,5|C<3>}	111.4960	0.086	2	109.7110	1.563	26	109.7354	1.416	29	109.7484	1.372	30	107.1918	4.116	111	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a,6a]	3:4:	3:2:3:3:	3:3:2:	C[5a,6a]-3:B[5a]-4:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2){1|H<1>,7|C<3>}	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{1|H<1>,4|F<1>,7|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a]){1|H<1>,5|C<3>}	110.7960	0.000	1	109.7110	1.563	26	109.7354	1.416	29	109.7484	1.372	30	107.1918	4.116	111	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a,6a]	3:4:	3:2:3:3:	3:3:2:	C[5a,6a]-3:B[5a]-4:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2){1|H<1>,7|C<3>}	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{2|F<1>,2|N<2>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a]){1|H<1>,5|C<3>}	110.4920	0.000	1	109.7110	1.563	26	109.7354	1.416	29	109.7484	1.372	30	107.1918	4.116	111	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a,6a]	3:4:	3:2:3:3:	3:3:2:	C[5a,6a]-3:B[5a]-4:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2){1|H<1>,7|C<3>}	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{3|H<1>,9|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a]){1|H<1>,5|C<3>}	110.1690	0.000	1	109.7110	1.563	26	109.7354	1.416	29	109.7484	1.372	30	107.1918	4.116	111	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a,6a]	3:4:	3:2:3:3:	3:3:2:	C[5a,6a]-3:B[5a]-4:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2){1|H<1>,7|C<3>}	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{5|H<1>,7|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a]){1|H<1>,5|C<3>}	110.0143	0.732	7	109.7110	1.563	26	109.7354	1.416	29	109.7484	1.372	30	107.1918	4.116	111	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a,6a]	3:4:	3:2:3:3:	3:3:2:	C[5a,6a]-3:B[5a]-4:	N[5a,6]-3:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2)	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]I)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[6a]2){1|I<1>,7|C<3>}	B[5a](N[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{5|H<1>,7|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]I)(O[5a]B[5a]){1|H<1>,5|C<3>}	109.7575	0.438	2	109.7575	0.192	2	109.7354	1.416	29	109.7484	1.372	30	107.1918	4.116	111	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a,6a]	3:4:	3:2:3:3:	3:3:2:	C[5a,6a]-3:B[5a]-4:	N[5a]-3:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2N[5a])	B[5a](N[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2N[5a]){8|C<3>}	B[5a](N[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)2{4|F<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a]){1|H<1>,7|C<3>}	110.1240	0.000	1	110.1240	0.000	1	110.1240	0.000	1	109.7484	1.372	30	107.1918	4.116	111	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a,6a]	3:4:	3:3:3:2:	3:3:2:	C[5a,6a]-3:B[5a]-4:	N[5a,6]-3:C[5a]-3:C[5a]-3:O[5a]-2:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[5a]2)	B[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a]S[5a])2(O[5a]C[5a,6a])	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(B[5a]N[5a,6]C[5a]2){1|H<1>,2|S<2>,5|C<3>}	B[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a]S[5a])2(O[5a]C[5a,6a]){3|H<1>,7|C<3>}	C[5a,6a](C[5a,6,6a]C[6,6a]N[5a,6])(C[6a]C[6a]H)(O[5a]B[5a]){1|H<1>,5|C<3>}	110.5835	0.265	2	110.5835	0.070	2	110.5835	0.070	2	110.5835	0.070	2	107.1918	4.116	111	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a,6a]	3:4:	4:2:3:3:	3:3:2:	C[5a,6a]-3:B[5a]-4:	N[5a]-4:O[5a]-2:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2N[5a])	B[5a](N[5a]C[5a,6a]C[6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)2	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(B[5a]C[6a]2N[5a]){1|H<1>,8|C<3>}	B[5a](N[5a]C[5a,6a]C[6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)2{4|F<1>,8|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]B[5a]){2|H<1>,7|C<3>}	108.7750	0.000	1	108.7750	0.000	1	108.7750	0.000	1	108.7750	0.000	1	107.1918	4.116	111	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a,6a]	3:4:	4:3:2:2:	3:3:2:	C[5a,6a]-3:B[5a]-4:	B[5a]-4:N[6]-3:O[5a]-2:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a]N[6])	B[5a](B[5a]O[5a]2N[6])(N[6]C[5,6]C[6])(O[5a]C[5a,6a])2	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(B[5a]B[5a]O[5a]N[6]){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	B[5a](B[5a]O[5a]2N[6])(N[6]C[5,6]C[6])(O[5a]C[5a,6a])2{1|N<3>,2|H<1>,3|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]B[5a]){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	106.6705	0.050	2	106.6705	0.003	2	106.6705	0.003	2	106.6705	0.003	2	107.1918	4.116	111	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a]	3:4:	3:2:1:1:	3:2:2:	C[5a]-3:B[5a]-4:	N[5a]-3:O[5a]-2:F-1:F-1:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[6a]N[5a])(B[5a]N[5a]FF)	B[5a](N[5a]N[5a]C)(O[5a]C[5a])(F)2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]B[5a])	O[5a](C[5a]C[6a]N[5a])(B[5a]N[5a]FF){3|C<3>}	B[5a](N[5a]N[5a]C)(O[5a]C[5a])(F)2{1|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]B[5a]){2|F<1>,2|H<1>,3|C<3>}	108.8467	0.316	9	108.8467	0.100	9	108.8467	0.100	9	108.8467	0.100	9	110.5184	3.763	23	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a]	4:3:	3:2:1:1:	3:2:3:	B[5a]-4:C[5a]-3:	N[5a]-3:O[5a]-2:F-1:F-1:	C[5a]-3:O[5a]-2:C-3:	O[5a](B[5a]N[5a]FF)(C[5a]C[5a]C)	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2	C[5a](C[5a]N[5a]C)(O[5a]B[5a])(CCH)	O[5a](B[5a]N[5a]FF)(C[5a]C[5a]C){1|C<3>,1|C<4>}	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2{2|C<3>}	C[5a](C[5a]N[5a]C)(O[5a]B[5a])(CCH){1|C<4>,2|F<1>}	111.1680	0.572	6	111.1680	0.327	6	111.0417	0.448	9	111.0417	0.448	9	110.5184	3.763	23	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a]	4:3:	3:2:1:1:	3:2:3:	B[5a]-4:C[5a]-3:	N[5a]-3:O[5a]-2:F-1:F-1:	C[5a]-3:O[5a]-2:C-3:	O[5a](B[5a]N[5a]FF)(C[5a]C[5a]C)	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2	C[5a](C[5a]N[5a]H)(O[5a]B[5a])(CC[6a]H)	O[5a](B[5a]N[5a]FF)(C[5a]C[5a]C){1|C<4>,1|H<1>}	B[5a](N[5a]C[5a]C)(O[5a]C[5a])(F)2{1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]H)(O[5a]B[5a])(CC[6a]H){1|C<4>,2|F<1>}	110.2640	0.069	2	110.2640	0.005	2	111.0417	0.448	9	111.0417	0.448	9	110.5184	3.763	23	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a]	4:3:	3:2:1:1:	3:2:3:	B[5a]-4:C[5a]-3:	N[5a]-3:O[5a]-2:F-1:F-1:	C[5a]-3:O[5a]-2:C-3:	O[5a](B[5a]N[5a]FF)(C[5a]C[5a]C)	B[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])(F)2	C[5a](C[5a]N[5a]C)(O[5a]B[5a])(CCH)	O[5a](B[5a]N[5a]FF)(C[5a]C[5a]C){2|C<3>}	B[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])(F)2{4|C<3>}	C[5a](C[5a]N[5a]C)(O[5a]B[5a])(CCH){1|C<3>,2|F<1>}	111.8390	0.000	1	111.8390	0.000	1	111.0417	0.448	9	111.0417	0.448	9	110.5184	3.763	23	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a]	4:3:	3:3:3:2:	3:2:1:	B[5a]-4:C[5a]-3:	N[5,5a]-3:C[6a]-3:C[6a]-3:O[5a]-2:	N[5,5a]-3:O[5a]-2:O-1:	O[5a](B[5a]N[5,5a]C[6a]2)(C[5a]N[5,5a]O)	B[5a](N[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)2(O[5a]C[5a])	C[5a](N[5,5a]N[5,5a]C[5])(O[5a]B[5a])(O)	O[5a](B[5a]N[5,5a]C[6a]2)(C[5a]N[5,5a]O){6|C<3>}	B[5a](N[5,5a]N[5,5a]C[5])(C[6a]C[6a]2)2(O[5a]C[5a]){1|C<4>,1|O<1>,4|F<1>,6|C<3>}	C[5a](N[5,5a]N[5,5a]C[5])(O[5a]B[5a])(O){1|C<4>,4|C<3>}	114.9060	0.000	1	114.9060	0.000	1	114.9060	0.000	1	114.9060	0.000	1	110.5184	3.763	23	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a]	4:3:	3:4:4:2:	3:2:2:	B[5a]-4:C[5a]-3:	N[5,5a]-3:C[6]-4:C[6]-4:O[5a]-2:	C[5,5a]-3:O[5a]-2:O-2:	O[5a](B[5a]N[5,5a]C[6]2)(C[5a]C[5,5a]O)	B[5a](N[5,5a]C[5,5a]N[5])(C[6]C[6]2H)2(O[5a]C[5a])	C[5a](C[5,5a]C[5,5a]N[5,5a])(O[5a]B[5a])(OB)	O[5a](B[5a]N[5,5a]C[6]2)(C[5a]C[5,5a]O){1|C<3>,1|N<2>,2|H<1>,4|C<4>}	B[5a](N[5,5a]C[5,5a]N[5])(C[6]C[6]2H)2(O[5a]C[5a]){1|C<3>,1|N<3>,1|O<2>,4|C<4>,8|H<1>}	C[5a](C[5,5a]C[5,5a]N[5,5a])(O[5a]B[5a])(OB){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	114.3865	0.040	2	114.3865	0.002	2	114.3865	0.002	2	114.3865	0.002	2	110.5184	3.763	23	107.1923	2.933	376
537	679	727	5:SP2_SP2_SP3	O[5a]	B[5a]	C[5a]	4:3:	4:3:3:2:	3:2:2:	B[5a]-4:C[5a]-3:	N[5a]-4:C[6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](B[5a]C[6a]2N[5a])(C[5a]C[6a]N[5a])	B[5a](N[5a]N[5a]HH)(C[6a]C[6a]2)2(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]B[5a])	O[5a](B[5a]C[6a]2N[5a])(C[5a]C[6a]N[5a]){2|H<1>,6|C<3>}	B[5a](N[5a]N[5a]HH)(C[6a]C[6a]2)2(O[5a]C[5a]){4|F<1>,5|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]B[5a]){4|C<3>,4|H<1>}	109.6245	0.120	2	109.6245	0.014	2	109.6245	0.014	2	109.6245	0.014	2	110.5184	3.763	23	107.1923	2.933	376
537	681	727	5:SP2_SP2_SP2	O[5a]	Se[5,5a]	C[5a]	3:3:	3:2:2:	3:2:1:	Se[5,5a]-3:C[5a]-3:	C[5,5a,6]-3:O[5a]-2:O[5]-2:	C[5a,6]-3:O[5a]-2:H-1:	O[5a](Se[5,5a]C[5,5a,6]O[5])(C[5a]C[5a,6]H)	Se[5,5a](C[5,5a,6]C[5a,6]C[5,6])(O[5a]C[5a])(O[5]C[5])	C[5a](C[5a,6]C[5,5a,6]C[6])(O[5a]Se[5,5a])(H)	O[5a](Se[5,5a]C[5,5a,6]O[5])(C[5a]C[5a,6]H){1|C<4>,2|C<3>}	Se[5,5a](C[5,5a,6]C[5a,6]C[5,6])(O[5a]C[5a])(O[5]C[5]){2|C<4>,2|H<1>}	C[5a](C[5a,6]C[5,5a,6]C[6])(O[5a]Se[5,5a])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	109.4405	0.713	2	109.4405	0.509	2	109.4405	0.509	2	109.4405	0.509	2	109.4405	0.509	2	109.4405	0.509	2
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5,5a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5,5a]-3:C[5a,6a]-3:	C[5,5a]-3:C[5,6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5,5a](C[5,5a]C[5a,6a]B[5])(C[5,6a]C[5,6a]C[6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H)	O[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|B<3>,1|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]B[5])(C[5,6a]C[5,6a]C[6a])(O[5a]C[5a,6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H){1|B<3>,2|C<3>,2|H<1>}	103.2950	0.000	1	103.2950	0.000	1	103.2950	0.000	1	103.8493	0.114	6	103.9831	0.142	8	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5,5a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5,5a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)	C[5,5a](C[5,5a]C[5,5a]O[5a])(C[5,5a]C[5a,6a]P[5])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2){1|H<1>,1|O<2>,1|P<4>,3|C<3>}	C[5,5a](C[5,5a]C[5,5a]O[5a])(C[5,5a]C[5a,6a]P[5])(O[5a]C[5a,6a]){1|O<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	103.7470	0.109	2	103.9602	0.050	5	103.9602	0.050	5	103.8493	0.114	6	103.9831	0.142	8	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5,5a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5,5a]-3:	C[5,5a]-3:C[5,5a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)	C[5,5a](C[5,5a]C[5,5a]O[5a])(C[5,5a]C[5a,6a]P[5])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2){1|H<1>,1|O<2>,1|P<4>,3|C<3>}	C[5,5a](C[5,5a]C[5,5a]O[5a])(C[5,5a]C[5a,6a]P[5])(O[5a]C[5a,6a]){1|S<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|H<1>}	104.1023	0.133	3	103.9602	0.050	5	103.9602	0.050	5	103.8493	0.114	6	103.9831	0.142	8	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5,5a]	C[5a,6a]	3:3:	4:3:2:	3:2:3:	C[5,5a]-3:C[5a,6a]-3:	C[4,5,5]-4:C[5,5a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5,5a]C[4,5,5]C[5,5a])(C[5a,6a]C[5a,6a]C[6a])	C[5,5a](C[4,5,5]C[4,5,5]2O[5])(C[5,5a]C[5a,6a]Ge[5])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H)	O[5a](C[5,5a]C[4,5,5]C[5,5a])(C[5a,6a]C[5a,6a]C[6a]){1|Ge<4>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,5a](C[4,5,5]C[4,5,5]2O[5])(C[5,5a]C[5a,6a]Ge[5])(O[5a]C[5a,6a]){1|Ge<4>,1|C<4>,7|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H){1|Ge<4>,1|C<3>,1|C<4>,2|H<1>}	104.3940	0.000	1	104.3940	0.000	1	104.3845	0.000	2	104.3845	0.000	2	103.9831	0.142	8	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5,5a]	C[5a,6a]	3:3:	4:3:2:	3:2:3:	C[5,5a]-3:C[5a,6a]-3:	C[4,5,5]-4:C[5,5a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5,5a]C[4,5,5]C[5,5a])(C[5a,6a]C[5a,6a]C[6a])	C[5,5a](C[4,5,5]C[4,5,5]2O[5])(C[5,5a]C[5a,6a]Si[5])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H)	O[5a](C[5,5a]C[4,5,5]C[5,5a])(C[5a,6a]C[5a,6a]C[6a]){1|Si<4>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,5a](C[4,5,5]C[4,5,5]2O[5])(C[5,5a]C[5a,6a]Si[5])(O[5a]C[5a,6a]){1|Si<4>,1|C<4>,7|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	104.3750	0.000	1	104.3750	0.000	1	104.3845	0.000	2	104.3845	0.000	2	103.9831	0.142	8	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5,5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:Br-1:	O[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Br)	C[5,5a](C[5,5a]C[5,5a]O[5a])(C[5,5a]C[5a]P[5])(O[5a]C[5a])	C[5a](C[5a]C[5,5a]H)(O[5a]C[5,5a])(Br)	O[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Br){1|C<3>,1|H<1>,1|O<2>,1|P<4>}	C[5,5a](C[5,5a]C[5,5a]O[5a])(C[5,5a]C[5a]P[5])(O[5a]C[5a]){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5a]C[5,5a]H)(O[5a]C[5,5a])(Br){1|C<3>,1|P<4>}	103.7315	0.217	2	103.7315	0.047	2	103.7315	0.047	2	103.7315	0.047	2	104.4460	0.600	7	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5,5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5,5a]-3:C[5a]-3:	C[5,5a]-3:C[5,5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:Si-4:	O[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Si)	C[5,5a](C[5,5a]C[5,5a]O[5a])(C[5,5a]C[5a]P[5])(O[5a]C[5a])	C[5a](C[5a]C[5,5a]H)(O[5a]C[5,5a])(SiC3)	O[5a](C[5,5a]C[5,5a]2)(C[5a]C[5a]Si){1|C<3>,1|H<1>,1|O<2>,1|P<4>}	C[5,5a](C[5,5a]C[5,5a]O[5a])(C[5,5a]C[5a]P[5])(O[5a]C[5a]){1|Si<4>,1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5a]C[5,5a]H)(O[5a]C[5,5a])(SiC3){1|C<3>,1|P<4>}	105.4320	0.052	2	105.4320	0.003	2	105.4320	0.003	2	105.4320	0.003	2	104.4460	0.600	7	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5,5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5,5a]-3:C[5a]-3:	C[5,5]-4:C[5,5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5,5a]C[5,5a]C[5,5])(C[5a]C[5a]H)	C[5,5a](C[5,5]C[5,5,6]N[5]H)(C[5,5a]C[5,6]C[5a])(O[5a]C[5a])	C[5a](C[5a]C[5,5a]H)(O[5a]C[5,5a])(H)	O[5a](C[5,5a]C[5,5a]C[5,5])(C[5a]C[5a]H){1|N<3>,2|C<4>,2|H<1>}	C[5,5a](C[5,5]C[5,5,6]N[5]H)(C[5,5a]C[5,6]C[5a])(O[5a]C[5a]){1|C<3>,3|H<1>,4|C<4>}	C[5a](C[5a]C[5,5a]H)(O[5a]C[5,5a])(H){2|C<4>}	104.0870	0.546	2	104.0870	0.298	2	104.0870	0.298	2	104.0870	0.298	2	104.4460	0.600	7	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5,5a]	C[5a]	3:3:	4:3:2:	3:2:4:	C[5,5a]-3:C[5a]-3:	C[5,5]-4:C[5,5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5,5a]C[5,5a]C[5,5])(C[5a]C[5a]C)	C[5,5a](C[5,5]C[5,5,6]N[5]H)(C[5,5a]C[5,6]C[5a])(O[5a]C[5a])	C[5a](C[5a]C[5,5a]H)(O[5a]C[5,5a])(CCHH)	O[5a](C[5,5a]C[5,5a]C[5,5])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|H<1>}	C[5,5a](C[5,5]C[5,5,6]N[5]H)(C[5,5a]C[5,6]C[5a])(O[5a]C[5a]){1|C<3>,2|H<1>,5|C<4>}	C[5a](C[5a]C[5,5a]H)(O[5a]C[5,5a])(CCHH){2|C<4>}	104.6210	0.000	1	104.6210	0.000	1	104.6210	0.000	1	104.6210	0.000	1	104.4460	0.600	7	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,5a]	C[5a,5a]	3:3:	3:3:2:	3:2:3:	C[5a,5a]-3:C[5a,5a]-3:	C[5a,5a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,5a]-3:O[5a]-2:C[5a]-3:	O[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]C[5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,5a])	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(O[5a]C[5a,5a])(C[5a]C[5a]H)	O[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,5a]C[5a,5a]C[5a]){1|H<1>,2|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a,5a]S[5a])(O[5a]C[5a,5a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	103.5940	0.000	1	103.5940	0.000	1	103.5940	0.000	1	103.5940	0.000	1	103.5940	0.000	1	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,5a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	O[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	103.6970	0.000	1	103.6970	0.000	1	103.8093	0.294	4	103.8605	0.424	8	103.8605	0.424	8	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,5a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	O[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	103.0890	0.000	1	103.8467	0.433	3	103.8093	0.294	4	103.8605	0.424	8	103.8605	0.424	8	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,5a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	O[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	104.2255	0.069	2	103.8467	0.433	3	103.8093	0.294	4	103.8605	0.424	8	103.8605	0.424	8	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,5a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,5a]-3:N[5a,6]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a])	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	O[5a](C[5a,5a]C[5a,5a]N[5a,6])(C[5a,6a]C[5a,6a]C[6a]){1|B<4>,1|H<1>,4|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a,6]C[5a,6]B[6])(O[5a]C[5a,6a]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	103.2070	0.256	2	103.2070	0.066	2	103.2070	0.066	2	103.8605	0.424	8	103.8605	0.424	8	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,5a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:	N[5a,5a]-3:C[5,5a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,5a]N[5a,5a]C[5,5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5,5a]C[5,5a]C[5])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	O[5a](C[5a,5a]N[5a,5a]C[5,5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5,5a]C[5,5a]C[5])(O[5a]C[5a,6a]){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	104.6930	0.000	1	104.6165	0.012	2	104.6165	0.012	2	103.8605	0.424	8	103.8605	0.424	8	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,5a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,5a]-3:C[5a,6a]-3:	N[5a,5a]-3:C[5,5a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,5a]N[5a,5a]C[5,5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5,5a]C[5,5a]C[5])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	O[5a](C[5a,5a]N[5a,5a]C[5,5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(C[5,5a]C[5,5a]C[5])(O[5a]C[5a,6a]){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	104.5400	0.000	1	104.6165	0.012	2	104.6165	0.012	2	103.8605	0.424	8	103.8605	0.424	8	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:O-1:	O[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]O)	C[5a,5a](C[5a,5a]C[5a]S[5a])(N[5a]S[5a])(O[5a]C[5a])	C[5a](C[5a]C[5a,5a]C)(O[5a]C[5a,5a])(O)	O[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]O){1|C<3>,2|S<2>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(N[5a]S[5a])(O[5a]C[5a]){1|C<3>,1|O<1>}	C[5a](C[5a]C[5a,5a]C)(O[5a]C[5a,5a])(O){1|N<2>,1|S<2>}	106.6830	0.000	1	106.6830	0.000	1	106.6830	0.000	1	106.6830	0.000	1	104.6127	0.324	20	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,5a]H)(O[5a]C[5a,5a])(H)	O[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,5a]H)(O[5a]C[5a,5a])(H){1|C<3>,1|S<2>}	104.6520	0.161	2	104.6520	0.026	2	104.6520	0.026	2	104.6520	0.026	2	104.6127	0.324	20	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a,5a](C[5a,5a]N[5a,6]C[5a])(C[5a]C[5a,6]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,5a]H)(O[5a]C[5a,5a])(C[6a]C[6a]2)	O[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[5a,5a](C[5a,5a]N[5a,6]C[5a])(C[5a]C[5a,6]H)(O[5a]C[5a]){1|B<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,5a]H)(O[5a]C[5a,5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	104.5493	0.179	16	104.5493	0.032	16	104.5493	0.032	16	104.5493	0.032	16	104.6127	0.324	20	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C)	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(O[5a]C[5a])	C[5a](C[5a]C[5a,5a]H)(O[5a]C[5a,5a])(CCHH)	O[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,5a]H)(O[5a]C[5a,5a])(CCHH){1|C<3>,1|N<3>}	103.4780	0.000	1	103.4780	0.000	1	103.4780	0.000	1	103.4780	0.000	1	104.6127	0.324	20	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a,6]	3:3:	3:3:2:	3:2:4:	C[5a,6]-3:C[5a,6]-3:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:O[5a]-2:C[6]-4:	O[5a](C[5a,6]C[5a,6]C[6])2	C[5a,6](C[5a,6]C[5a,6]C[6])(C[6]C[6,6a]O)(O[5a]C[5a,6])	C[5a,6](C[5a,6]C[5a,6]C[6])(O[5a]C[5a,6])(C[6]C[6]HH)	O[5a](C[5a,6]C[5a,6]C[6])2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[6]C[6,6a]O)(O[5a]C[5a,6]){1|C<4>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[6])(O[5a]C[5a,6])(C[6]C[6]HH){1|O<1>,2|C<3>,3|C<4>}	105.9040	0.000	1	105.9040	0.000	1	105.9040	0.000	1	105.9040	0.000	1	105.9040	0.000	1	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6,6a]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|H<1>,1|O<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6,6a]O){1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,4|C<3>}	105.2680	0.000	1	105.2680	0.000	1	105.1769	0.110	7	105.1769	0.110	7	105.0805	0.110	28	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]Cl)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]Cl){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	104.8030	0.000	1	104.8030	0.000	1	105.1769	0.110	7	105.1769	0.110	7	105.0805	0.110	28	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]H)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.5830	0.007	2	105.5830	0.000	2	105.1769	0.110	7	105.1769	0.110	7	105.0805	0.110	28	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]N[6]C)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]N[6]C){1|O<1>,1|P<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	104.7600	0.000	1	104.7600	0.000	1	105.1769	0.110	7	105.1769	0.110	7	105.0805	0.110	28	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(C[6]C[6]O){1|Br<1>,1|S<4>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	105.1310	0.000	1	105.1205	0.000	2	105.1769	0.110	7	105.1769	0.110	7	105.0805	0.110	28	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(C[6]C[6]O)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(C[6]C[6]O){1|Cl<1>,1|S<4>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	105.1100	0.000	1	105.1205	0.000	2	105.1769	0.110	7	105.1769	0.110	7	105.0805	0.110	28	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a,6a]	3:3:	3:2:4:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6]C[5,6,6]C[5a,6a])(O[5a]C[5a,6a])(C[6]C[5,6]CH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){2|C<3>,2|H<1>,3|C<4>}	C[5a,6](C[5a,6]C[5,6,6]C[5a,6a])(O[5a]C[5a,6a])(C[6]C[5,6]CH){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	104.3440	0.000	1	104.3440	0.000	1	105.1433	0.155	12	105.1433	0.155	12	105.0805	0.110	28	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a,6a]	3:3:	3:2:4:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	105.8680	0.000	1	105.2340	0.155	5	105.1433	0.155	12	105.1433	0.155	12	105.0805	0.110	28	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a,6a]	3:3:	3:2:4:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	104.9030	0.000	2	105.2340	0.155	5	105.1433	0.155	12	105.1433	0.155	12	105.0805	0.110	28	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a,6a]	3:3:	3:2:4:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	105.2480	0.000	2	105.2340	0.155	5	105.1433	0.155	12	105.1433	0.155	12	105.0805	0.110	28	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a,6a]	3:3:	3:2:4:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]O){1|C<3>,1|H<1>,3|C<4>}	104.8740	0.000	1	104.8740	0.000	1	105.1433	0.155	12	105.1433	0.155	12	105.0805	0.110	28	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a,6a]	3:3:	3:2:4:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	105.2750	0.291	4	105.2750	0.085	4	105.1433	0.155	12	105.1433	0.155	12	105.0805	0.110	28	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a,6a]	3:3:	3:2:4:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:O[5a]-2:C[6]-4:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HO)	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	105.2320	0.000	1	105.2320	0.000	1	105.1433	0.155	12	105.1433	0.155	12	105.0805	0.110	28	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[5a,6a]-3:	C[5a,6]-3:C[6,6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6](C[5a,6]C[5a,6a]N[6])(C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a,6])(O[5a]C[5a,6])(C[6a]C[6a]H)	O[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]N[6])(C[6,6a]C[6,6a]C[6a])(O[5a]C[5a,6a]){1|Cd<4>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a,6])(O[5a]C[5a,6])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	105.1280	0.000	1	105.1280	0.000	1	105.1280	0.000	1	105.1435	0.000	2	105.0805	0.110	28	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6]C[5a,6a]N[6])(C[6]C[6a]C[6])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]N[6])(C[6]C[6a]C[6])(O[5a]C[5a,6a]){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	105.1590	0.000	1	105.1590	0.000	1	105.1590	0.000	1	105.1435	0.000	2	105.0805	0.110	28	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a,6a]	3:3:	3:4:2:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[6,6]-4:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6])	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6,6]){1|N<4>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6]H)(O[5a]C[5a,6a]){2|C<3>,3|H<1>,5|C<4>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	104.8040	0.062	6	104.8040	0.004	6	104.8040	0.004	6	104.8584	0.024	7	105.0805	0.110	28	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a,6a]	3:3:	3:4:2:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6]C[5a,6a]N[6])(C[6]C[5,6]C[6a]H)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]N[6])(C[6]C[5,6]C[6a]H)(O[5a]C[5a,6a]){1|O<2>,1|S<4>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	105.1850	0.000	1	105.1850	0.000	1	105.1850	0.000	1	104.8584	0.024	7	105.0805	0.110	28	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:O[5a]-2:N[6]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C[6a])	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(N[6]C[6])	C[5a](C[5a]N[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2)	O[5a](C[5a,6]N[5a,6]N[6])(C[5a]C[5a]C[6a]){1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(N[6]C[6]){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a]N[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	106.8490	0.000	1	106.8490	0.000	1	106.8490	0.000	1	106.8490	0.000	1	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	2:2:3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:O[5a]-2:C[6]-3:	N[5a]-2:O[5a]-2:N-3:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]N)	C[5a,6](C[5a,6]N[5a]N[6])(O[5a]C[5a])(C[6]C[6]C)	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(NCC)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]N){1|C<3>,1|C<4>,1|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(O[5a]C[5a])(C[6]C[6]C){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(NCC){1|C<3>,1|N<3>}	103.4670	0.000	1	103.4670	0.000	1	103.4670	0.000	1	103.4670	0.000	1	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	2:2:4:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:O[5a]-2:C[6]-3:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C)	C[5a,6](C[5a,6]N[5a]C[6])(O[5a]C[5a])(C[6]C[6]H)	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(CC[6a]CN)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]N[5a]C){1|C<2>,1|C<3>,1|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(O[5a]C[5a])(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(CC[6a]CN){2|C<3>}	103.7870	0.000	1	103.7870	0.000	1	103.7870	0.000	1	103.7870	0.000	1	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]C)	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|C<3>,1|H<1>,2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]C){1|N<3>,6|H<1>}	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H){1|C<3>,1|C<4>}	106.8020	0.000	1	106.8020	0.000	1	105.7090	0.619	5	105.7090	0.619	5	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H)	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H){1|C<3>,1|N<3>,3|H<1>}	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H){2|C<3>}	105.2620	0.556	3	105.2620	0.309	3	105.7090	0.619	5	105.7090	0.619	5	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]O[6])(O[5a]C[5a])(C[6]C[6]O)	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[5a,6](C[5a,6]C[5a]O[6])(O[5a]C[5a])(C[6]C[6]O){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(H){1|C<3>,1|O<2>}	105.9570	0.000	1	105.9570	0.000	1	105.7090	0.619	5	105.7090	0.619	5	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]C)	C[5a](C[5a]C[5a,6]Br)(O[5a]C[5a,6])(C[6a]C[6a]2)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a]){1|Br<1>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]C){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	C[5a](C[5a]C[5a,6]Br)(O[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	107.5010	0.000	1	107.5010	0.000	1	105.8584	0.884	5	106.1069	0.769	7	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]N[6]H)	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a]){1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]N[6]H){1|Zn<6>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.4477	0.232	4	105.4477	0.054	4	105.8584	0.884	5	106.1069	0.769	7	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:O[5a]-2:C[6]-3:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]C)	C[5a](C[5a]N[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2)	O[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a]){1|C<2>,1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]C){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a]N[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.7420	0.000	1	106.7420	0.000	1	106.7280	0.000	2	106.1069	0.769	7	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a,6]-3:C[5a]-3:	N[5a,6]-3:O[5a]-2:C[6]-3:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a])	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H)	C[5a](C[5a]N[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2)	O[5a](C[5a,6]N[5a,6]C[6])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a]N[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.7140	0.000	1	106.7140	0.000	1	106.7280	0.000	2	106.1069	0.769	7	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H)	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(CH3)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H){1|N<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(CH3){2|C<3>}	105.5630	0.443	2	105.5630	0.196	2	105.5630	0.196	2	105.5630	0.196	2	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a,6]-3:C[5a]-3:	C[6,6a]-3:C[5a,6]-3:O[5a]-2:	N[5a]-2:O[5a]-2:H-1:	O[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(O[5a]C[5a])	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(O[5a]C[5a]){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(H){1|C<3>,1|C<4>}	101.9450	0.000	1	101.9450	0.000	1	101.9450	0.000	1	101.9450	0.000	1	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:O[5a]-2:H-1:	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6]O)(O[5a]C[5a])	C[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H){1|C<3>,1|O<1>,2|C<4>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6]O)(O[5a]C[5a]){1|C<3>,2|H<1>,4|C<4>}	C[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	105.9780	0.000	1	105.9780	0.000	1	105.4102	0.431	12	105.3362	0.539	25	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:O[5a]-2:H-1:	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a])	C[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H){1|C<3>,1|O<1>,2|C<4>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|H<1>,2|C<3>,3|C<4>}	C[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6])(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	105.0973	0.254	4	105.3585	0.439	11	105.4102	0.431	12	105.3362	0.539	25	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:O[5a]-2:H-1:	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a])	C[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H){1|C<3>,1|O<1>,2|C<4>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|H<1>,2|C<3>,3|C<4>}	C[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6])(H){1|C<3>,2|C<4>,2|H<1>}	105.1252	0.206	4	105.3585	0.439	11	105.4102	0.431	12	105.3362	0.539	25	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:O[5a]-2:H-1:	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a])	C[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H){1|C<4>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	106.2430	0.000	1	105.3585	0.439	11	105.4102	0.431	12	105.3362	0.539	25	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:O[5a]-2:H-1:	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a])	C[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H){1|C<4>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6])(H){1|C<3>,1|O<1>,2|C<4>}	106.9540	0.000	1	105.3585	0.439	11	105.4102	0.431	12	105.3362	0.539	25	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6,6]-3:C[6]-3:O[5a]-2:	C[5a,6]-3:O[5a]-2:H-1:	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a])	C[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H){1|C<4>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6])(H){1|C<4>,1|H<1>,2|C<3>}	104.8570	0.000	1	105.3585	0.439	11	105.4102	0.431	12	105.3362	0.539	25	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]O)(O[5a]C[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,1|O<1>,2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]O)(O[5a]C[5a]){1|C<4>,1|N<3>,5|H<1>}	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H){1|C<3>,1|C<4>}	105.1305	0.049	2	105.1305	0.002	2	104.6867	0.753	6	105.3362	0.539	25	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,3|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]H)(O[5a]C[5a]){3|H<1>,4|C<4>}	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(H){1|C<3>,1|C<4>}	102.9890	0.000	1	102.9890	0.000	1	104.6867	0.753	6	105.3362	0.539	25	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]O)(O[5a]C[5a])	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|C<3>,1|O<1>,2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]O)(O[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(H){1|C<3>,1|C<4>}	104.6550	0.000	1	104.6550	0.000	1	104.6867	0.753	6	105.3362	0.539	25	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]O)(O[5a]C[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,1|O<1>,2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]O)(O[5a]C[5a]){3|C<4>,4|H<1>}	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H){1|C<3>,1|C<4>}	104.8500	0.000	1	104.8500	0.000	1	104.6867	0.753	6	105.3362	0.539	25	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H){2|C<3>}	105.3650	0.000	1	105.3650	0.000	1	104.6867	0.753	6	105.3362	0.539	25	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[6,6a]-3:C[5a,6]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(O[5a]C[5a])	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H){1|C<4>,3|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(O[5a]C[5a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(H){2|C<3>}	105.6294	0.216	5	105.6902	0.059	6	105.7663	0.090	7	105.3362	0.539	25	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[6,6a]-3:C[5a,6]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(O[5a]C[5a])	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H){1|C<4>,3|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(O[5a]C[5a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(H){2|C<3>}	105.9940	0.000	1	105.6902	0.059	6	105.7663	0.090	7	105.3362	0.539	25	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[6,6a]-3:C[5a,6]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(O[5a]C[5a])	C[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H){4|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6])(H){4|C<3>}	106.2230	0.000	1	106.2230	0.000	1	105.7663	0.090	7	105.3362	0.539	25	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[5a]-3:	C[5a,6,6]-3:C[6,6a]-3:O[5a]-2:	C[5a,6]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6]C[5a,6,6]C[6,6a])(C[5a]C[5a,6]C[6a])	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O[5a]C[5a])	C[5a](C[5a,6]C[5a,6,6]C[5,6])(O[5a]C[5a,6])(C[6a]C[6a]2)	O[5a](C[5a,6]C[5a,6,6]C[6,6a])(C[5a]C[5a,6]C[6a]){2|C<4>,4|C<3>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O[5a]C[5a]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6]C[5a,6,6]C[5,6])(O[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	106.3950	0.000	1	106.3950	0.000	1	106.3950	0.000	1	106.2518	0.289	10	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]O)(O[5a]C[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]O)(O[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	105.7027	0.285	4	105.7027	0.081	4	105.9648	0.404	5	106.2518	0.289	10	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a])	C[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]2)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a]){1|O<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|O<1>,4|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	107.0130	0.000	1	107.0130	0.000	1	105.9648	0.404	5	106.2518	0.289	10	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[5a]-3:	C[6,6a]-3:C[5a,6]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C[6a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(O[5a]C[5a])	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(C[6a]C[6a]2)	O[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.6480	0.000	1	106.6480	0.000	1	106.5747	0.046	4	106.2518	0.289	10	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:C[5a]-3:	C[6,6a]-3:C[5a,6]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C[6a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(O[5a]C[5a])	C[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]2)	O[5a](C[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C[6a]){6|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(O[5a]C[5a]){1|H<1>,1|O<1>,5|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	106.5503	0.256	3	106.5503	0.066	3	106.5747	0.046	4	106.2518	0.289	10	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]O)(O[5a]C[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CH3)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|H<1>,1|O<1>,2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]O)(O[5a]C[5a]){1|C<3>,3|C<4>,3|H<1>}	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CH3){1|C<3>,1|C<4>}	106.4130	0.000	1	106.4130	0.000	1	106.4649	0.226	7	106.4649	0.226	7	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CH3)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CH3){2|C<3>}	106.6933	0.612	3	106.6933	0.375	3	106.4649	0.226	7	106.4649	0.226	7	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CHHO)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CHHO){2|C<3>}	106.2537	0.396	3	106.2537	0.157	3	106.4649	0.226	7	106.4649	0.226	7	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[6,6]HH)(O[5a]C[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[6,6]HH)(O[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H){2|C<4>}	105.8700	0.000	1	105.8700	0.000	1	105.4879	0.151	29	105.4879	0.151	29	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]O[6]HH)(O[5a]C[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|C<4>,1|O<2>,3|H<1>}	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]O[6]HH)(O[5a]C[5a]){2|C<4>,3|H<1>}	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H){2|C<4>}	105.3870	0.000	1	105.3870	0.000	1	105.4879	0.151	29	105.4879	0.151	29	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[3,6,6]HH)(O[5a]C[5a])	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){2|H<1>,3|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[3,6,6]HH)(O[5a]C[5a]){2|H<1>,2|O<2>,3|C<4>}	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(H){2|C<4>}	105.0440	0.000	1	105.0440	0.000	1	105.4879	0.151	29	105.4879	0.151	29	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]CH)(O[5a]C[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]CH)(O[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H){2|C<4>}	105.0980	0.000	1	105.0980	0.000	1	105.4879	0.151	29	105.4879	0.151	29	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HH)(O[5a]C[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HH)(O[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H){2|C<4>}	105.9860	0.065	3	105.9860	0.004	3	105.4879	0.151	29	105.4879	0.151	29	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HO)(O[5a]C[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|O<2>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]HO)(O[5a]C[5a]){1|C<4>,1|N<3>,5|H<1>}	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H){2|C<4>}	105.4677	0.133	4	105.4677	0.018	4	105.4879	0.151	29	105.4879	0.151	29	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a])	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){2|H<1>,3|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a]){3|H<1>,4|C<4>}	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(H){2|C<4>}	104.9780	0.000	1	104.9780	0.000	1	105.4879	0.151	29	105.4879	0.151	29	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H){2|C<4>}	105.6827	0.498	3	105.4657	0.173	11	105.4879	0.151	29	105.4879	0.151	29	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a]){1|O<2>,3|C<4>,3|H<1>}	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H){2|C<4>}	105.0900	0.000	1	105.4657	0.173	11	105.4879	0.151	29	105.4879	0.151	29	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a]){3|C<4>,4|H<1>}	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H){2|C<4>}	105.4264	0.396	7	105.4657	0.173	11	105.4879	0.151	29	105.4879	0.151	29	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HO)(O[5a]C[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|O<2>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HO)(O[5a]C[5a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H){2|C<4>}	104.8980	0.000	1	104.8980	0.000	1	105.4879	0.151	29	105.4879	0.151	29	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6]C)(O[5a]C[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6]C)(O[5a]C[5a]){1|N<3>,2|C<3>,6|H<1>}	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H){2|C<4>}	105.0740	0.000	1	105.0740	0.000	1	105.4879	0.151	29	105.4879	0.151	29	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6]H)(O[5a]C[5a]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H){2|C<4>}	105.5400	0.000	1	105.5400	0.000	1	105.4879	0.151	29	105.4879	0.151	29	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[6,6]C[5a])(C[6]C[5,6]HH)(O[5a]C[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[6,6]C[5a])(C[6]C[5,6]HH)(O[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H){2|C<4>}	106.0780	0.000	1	106.0780	0.000	1	105.4879	0.151	29	105.4879	0.151	29	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[6,6]C[5a])(C[6]C[6,6]HH)(O[5a]C[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[6,6]C[5a])(C[6]C[6,6]HH)(O[5a]C[5a]){1|N<3>,2|C<4>,4|H<1>}	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H){2|C<4>}	105.7260	0.000	1	105.7260	0.000	1	105.4879	0.151	29	105.4879	0.151	29	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a,6](C[5a,6]C[6,6]C[5a])(C[6]C[6]HH)(O[5a]C[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[6,6]C[5a])(C[6]C[6]HH)(O[5a]C[5a]){2|C<4>,5|H<1>}	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H){2|C<4>}	105.5030	0.000	1	105.5030	0.000	1	105.4879	0.151	29	105.4879	0.151	29	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	3:2:3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a])	C[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6])(CC[6a]O)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a]){1|O<1>,2|C<3>,3|C<4>}	C[5a](C[5a]C[5a,6]C[6a])(O[5a]C[5a,6])(CC[6a]O){1|C<4>,3|C<3>}	107.0080	0.000	1	107.0080	0.000	1	107.0080	0.000	1	106.4843	0.132	6	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	3:2:3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a]){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	106.4170	0.000	1	106.3796	0.083	5	106.3796	0.083	5	106.4843	0.132	6	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	3:2:3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	106.7720	0.000	1	106.3796	0.083	5	106.3796	0.083	5	106.4843	0.132	6	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	3:2:3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	106.3625	0.136	2	106.3796	0.083	5	106.3796	0.083	5	106.4843	0.132	6	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	3:2:3:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	105.9840	0.000	1	106.3796	0.083	5	106.3796	0.083	5	106.4843	0.132	6	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	3:2:4:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a])	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(CH3)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a]){3|C<3>,3|C<4>}	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(CH3){1|C<3>,1|C<4>}	106.3820	0.000	1	106.3820	0.000	1	106.5640	0.026	3	106.5665	0.017	4	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	3:2:4:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CCHH)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CCHH){1|C<3>,1|C<4>}	106.6810	0.000	1	106.6810	0.000	1	106.5640	0.026	3	106.5665	0.017	4	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	3:2:4:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CC[6a]HS)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<3>,1|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a]){1|H<1>,1|O<1>,4|C<4>}	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CC[6a]HS){1|C<3>,1|C<4>}	106.6290	0.000	1	106.6290	0.000	1	106.5640	0.026	3	106.5665	0.017	4	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	3:4:2:	3:2:4:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	C[5a]-3:O[5a]-2:Si-4:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]Si)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a])	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(SiC3)	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]Si){1|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(O[5a]C[5a]){1|Si<4>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(SiC3){2|C<4>}	106.5740	0.000	1	106.5740	0.000	1	106.5740	0.000	1	106.5665	0.017	4	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[5a,6]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]H)	C[5a,6](C[5,6]C[5,6,6]O[5]H)(C[5a,6]C[5a]C[6])(O[5a]C[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H)	O[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]H){1|O<2>,2|C<4>,2|H<1>}	C[5a,6](C[5,6]C[5,6,6]O[5]H)(C[5a,6]C[5a]C[6])(O[5a]C[5a]){4|C<4>,4|H<1>}	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(H){2|C<4>}	105.2730	0.252	3	105.2730	0.064	3	105.2730	0.064	3	105.2730	0.064	3	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6]	C[5a]	3:3:	4:3:2:	3:2:4:	C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[5a,6]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]C)	C[5a,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5a,6]C[5,6]C[5a])(O[5a]C[5a])	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CH3)	O[5a](C[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]C){1|H<1>,2|C<3>,2|C<4>}	C[5a,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5a,6]C[5,6]C[5a])(O[5a]C[5a]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6]H)(O[5a]C[5a,6])(CH3){2|C<4>}	106.0130	0.000	1	106.0130	0.000	1	106.0130	0.000	1	106.0130	0.000	1	105.6873	0.722	103	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5,5a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5,5a]-3:C[5,5a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H)	C[5,5a](C[5,5a]C[5a,6a]Ge[5])(C[5,5a]C[5,5a]O[5a])(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]2){1|Ge<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H){1|Ge<4>,2|C<3>,2|H<1>}	C[5,5a](C[5,5a]C[5a,6a]Ge[5])(C[5,5a]C[5,5a]O[5a])(O[5a]C[5a,6a]){6|C<3>}	103.9640	0.000	1	103.9640	0.000	1	103.9640	0.000	1	103.9640	0.000	1	103.9993	0.048	4	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5,5a]	3:3:	3:2:3:	3:4:2:	C[5a,6a]-3:C[5,5a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5,5a]-3:C[5]-4:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5])	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H)	C[5,5a](C[5,5a]C[5a,6a]N[5])(C[5]C[5,5]C[6a]H)(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5a]C[5]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,5a](C[5,5a]C[5a,6a]N[5])(C[5]C[5,5]C[6a]H)(O[5a]C[5a,6a]){1|S<4>,6|C<3>}	103.8100	0.000	1	103.8100	0.000	1	103.8100	0.000	1	103.8100	0.000	1	103.9993	0.048	4	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5,5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5,5a]-3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5,5a]-3:C[5,6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5,5a]C[5,6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a])	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,5a]C[5,5a]C[5,6a]){1|C<4>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5,5a]C[6a])(O[5a]C[5,5a]){1|C<4>,1|H<1>,5|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(O[5a]C[5a,6a]){1|H<1>,6|C<3>}	104.1115	0.285	2	104.1115	0.081	2	104.1115	0.081	2	104.1115	0.081	2	103.9993	0.048	4	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,5a]	3:3:	3:2:3:	3:2:2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,5a]-3:O[5a]-2:O[5a]-2:	O[5a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,5a](C[5a,5a]C[5a,6a]2)(O[5a]C[5a,6a])2	O[5a](C[5a,5a]C[5a,5a]O[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[5a,5a](C[5a,5a]C[5a,6a]2)(O[5a]C[5a,6a])2{4|C<3>}	101.9325	0.029	2	101.9325	0.001	2	101.9325	0.001	2	102.9410	3.052	3	103.3396	1.842	5	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,5a]	3:3:	3:2:3:	3:2:2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	N[5a,5a]-3:O[5a]-2:N[5a]-2:	O[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(O[5a]C[5a,6a])(N[5a]C[5a])	O[5a](C[5a,5a]N[5a,5a]N[5a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(O[5a]C[5a,6a])(N[5a]C[5a]){3|C<3>}	104.9580	0.000	1	104.9580	0.000	1	104.9580	0.000	1	102.9410	3.052	3	103.3396	1.842	5	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,5a]	3:3:	3:2:3:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:O[5a]-2:	O[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])	O[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a]){2|H<1>,4|C<3>}	103.7470	0.000	1	103.7470	0.000	1	103.9375	0.073	2	103.9375	0.073	2	103.3396	1.842	5	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,5a]	3:3:	3:2:3:	3:3:2:	C[5a,5a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:O[5a]-2:	O[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H)	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])	O[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(O[5a]C[5a,5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]S[5a])(C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	104.1280	0.000	1	104.1280	0.000	1	103.9375	0.073	2	103.9375	0.073	2	103.3396	1.842	5	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6]-3:O[5a]-2:C[6]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(O[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6,6a]O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|H<1>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(O[5a]C[5a,6])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6,6a]O){1|O<1>,4|C<3>}	105.4910	0.000	1	105.4910	0.000	1	105.4910	0.000	1	105.4910	0.000	1	105.1746	0.092	10	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6]	3:3:	3:2:3:	3:2:4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6]-3:O[5a]-2:C[6]-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]CC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|H<1>,2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]CC){3|C<3>,3|H<1>}	104.9370	0.000	1	104.9370	0.000	1	105.3407	0.134	3	105.3407	0.134	3	105.1746	0.092	10	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6]	3:3:	3:2:3:	3:2:4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6]-3:O[5a]-2:C[6]-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|C<4>,3|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH){1|O<1>,2|C<3>,3|C<4>}	105.6510	0.000	1	105.6510	0.000	1	105.3407	0.134	3	105.3407	0.134	3	105.1746	0.092	10	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6]	3:3:	3:2:3:	3:2:4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6]-3:O[5a]-2:C[6]-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]N[6]CH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]N[6]CH){1|C<4>,2|H<1>,3|C<3>}	105.4340	0.000	1	105.4340	0.000	1	105.3407	0.134	3	105.3407	0.134	3	105.1746	0.092	10	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6]	3:3:	3:2:3:	3:4:2:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(O[5a]C[5a,6])(C[6a]C[6a]H)	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(C[6]C[6a]O[6]H)(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]C[6]){1|O<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(O[5a]C[5a,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6,6a])(C[6]C[6a]O[6]H)(O[5a]C[5a,6a]){6|C<3>}	104.7620	0.000	1	104.7620	0.000	1	104.7620	0.000	1	104.7620	0.000	1	105.1746	0.092	10	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6]-3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6]-3:O[5a]-2:C[6]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6,6a]O)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6]){1|O<1>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6]){1|H<1>,6|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6,6a]O){1|O<1>,4|C<3>}	105.1270	0.055	2	105.1270	0.003	2	105.1270	0.003	2	105.1270	0.003	2	105.1746	0.092	10	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a,6]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6]-3:O[5a]-2:C[6]-4:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6])	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6]){2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6]){1|H<1>,2|C<4>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	105.3510	0.000	1	105.3510	0.000	1	105.3510	0.000	1	105.0723	0.084	3	105.1746	0.092	10	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a,6]-3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6]-3:O[5a]-2:C[6]-4:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6])	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[5a,6]C[6]){2|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6]C[6a])(O[5a]C[5a,6]){2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	104.9330	0.229	2	104.9330	0.052	2	104.9330	0.052	2	105.0723	0.084	3	105.1746	0.092	10	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[6a]C[5a,6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[6a]C[5a,6a])(O[5a]C[5a,6a]){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	105.5130	0.314	2	105.5130	0.099	2	105.5130	0.099	2	105.2407	0.348	4	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:N[6a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	104.3990	0.000	1	104.3990	0.000	1	104.9685	0.649	2	105.2407	0.348	4	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:N[6a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(N[6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	105.5380	0.000	1	105.5380	0.000	1	104.9685	0.649	2	105.2407	0.348	4	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:N[6a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(N[6a]C[6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(N[6a]C[6a]){1|N<2>,1|N<3>,3|C<3>}	105.6100	0.000	1	105.6100	0.000	1	105.6100	0.000	1	105.6100	0.000	1	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	106.0730	0.000	1	106.0730	0.000	1	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,4|C<3>}	105.6235	0.144	2	105.6235	0.021	2	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	105.5450	0.000	1	105.5450	0.000	1	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.0970	0.000	1	105.0970	0.000	1	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	106.0160	0.004	2	106.0160	0.000	2	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	105.5920	0.000	1	105.5920	0.000	1	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	106.5535	0.788	2	106.5535	0.622	2	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.5780	0.158	2	105.5780	0.025	2	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	105.3687	0.223	10	105.3687	0.050	10	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	105.6330	0.233	7	105.6330	0.054	7	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.1060	0.006	2	105.5903	0.439	6	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.8325	0.706	4	105.5903	0.439	6	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]B)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{1|B<3>,1|P<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]B){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	105.7340	0.000	1	105.7340	0.000	1	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]Bi)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]Bi)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{2|Bi<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]Bi){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]Bi){2|H<1>,3|C<3>}	105.4220	0.000	1	105.2045	0.095	2	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]Bi)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]Bi)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{2|Bi<5>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]Bi){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]Bi){2|H<1>,3|C<3>}	104.9870	0.000	1	105.2045	0.095	2	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]Br)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{1|Br<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]Br){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	105.1450	0.000	1	105.1450	0.000	1	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{2|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	105.5471	0.870	8	105.5914	0.487	13	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	105.6622	0.354	5	105.5914	0.487	13	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.9030	0.000	1	105.9030	0.000	1	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{1|C<4>,1|N<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	105.4130	0.444	2	105.4130	0.197	2	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	105.0203	0.208	3	105.0203	0.043	3	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	105.2900	0.000	1	105.4102	0.070	11	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.4540	0.107	4	105.4102	0.070	11	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.0255	0.226	2	105.4102	0.070	11	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.4610	0.000	1	105.4102	0.070	11	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.7705	0.173	2	105.4102	0.070	11	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.3530	0.000	1	105.4102	0.070	11	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	105.5763	0.180	4	105.3630	0.167	7	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N){1|H<1>,4|C<3>}	104.6030	0.000	1	105.3630	0.167	7	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	105.3165	0.375	2	105.3630	0.167	7	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]O)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]O){2|O<2>,3|C<3>}	105.1410	0.000	1	105.1410	0.000	1	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,1|P<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	105.3361	0.283	12	105.3361	0.080	12	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{1|C<4>,1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]C){3|C<3>}	107.4740	0.000	1	107.4740	0.000	1	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O){1|C<4>,3|C<3>}	104.4570	0.227	3	104.3586	0.060	11	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a,6a])(C[6a]N[6a]O){4|C<3>}	104.3218	0.255	8	104.3586	0.060	11	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	105.2710	0.726	5	105.2197	0.854	10	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{2|N<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	105.1684	1.178	5	105.2197	0.854	10	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{2|P<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	105.7210	0.602	2	105.7737	0.084	15	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{2|P<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	105.7818	0.259	13	105.7737	0.084	15	105.4184	0.375	126	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	106.7090	0.000	1	106.7090	0.000	1	106.7090	0.000	1	105.4286	0.385	127	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	104.5450	0.000	1	104.5450	0.000	1	105.1753	0.523	4	105.5150	0.970	5	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a,6a]){5|C<3>}	106.1330	0.000	1	106.1330	0.000	1	105.1753	0.523	4	105.5150	0.970	5	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])2{1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a]){4|C<3>}	105.3290	0.000	1	105.3290	0.000	1	105.1753	0.523	4	105.5150	0.970	5	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]N[5,6a]O)(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[6a]N[5,6a]O)(O[5a]C[5a,6a]){1|C<4>,3|C<3>}	104.6940	0.000	1	104.6940	0.000	1	105.1753	0.523	4	105.5150	0.970	5	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a,6a]){1|O<1>,4|C<3>}	106.8740	0.000	1	106.8740	0.000	1	106.8740	0.000	1	105.5150	0.970	5	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:N[6a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(N[6a]C[6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]N[6a]){5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(O[5a]C[5a,6a]){1|Ir<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(N[6a]C[6a]){1|C<4>,1|H<1>,3|C<3>}	105.7045	0.192	2	105.7045	0.037	2	105.7045	0.037	2	105.7045	0.037	2	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5,6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(O[5a]C[5a,6a]){2|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.1350	0.000	1	105.1350	0.000	1	104.9795	0.048	2	105.3470	0.379	38	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5,6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[5])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5,6a]C[5,6a]C[5])(O[5a]C[5a,6a]){1|N<3>,1|O<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	104.8240	0.000	1	104.8240	0.000	1	104.9795	0.048	2	105.3470	0.379	38	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a]){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.1950	0.000	1	105.1950	0.000	1	105.1950	0.000	1	105.3470	0.379	38	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>}	104.9050	0.000	1	104.9050	0.000	1	105.0804	0.279	17	105.3470	0.379	38	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(O[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	103.9370	0.000	1	103.9370	0.000	1	105.0804	0.279	17	105.3470	0.379	38	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[3x6a]C[6a])(O[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.3053	0.240	3	105.3053	0.057	3	105.0804	0.279	17	105.3470	0.379	38	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(O[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.7707	0.210	3	105.7707	0.044	3	105.0804	0.279	17	105.3470	0.379	38	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	104.8440	0.000	1	105.0531	0.066	7	105.0804	0.279	17	105.3470	0.379	38	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	104.7810	0.000	1	105.0531	0.066	7	105.0804	0.279	17	105.3470	0.379	38	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a]){1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|O<2>,3|C<3>}	105.4940	0.000	1	105.0531	0.066	7	105.0804	0.279	17	105.3470	0.379	38	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a]){1|N<2>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.0632	0.164	4	105.0531	0.066	7	105.0804	0.279	17	105.3470	0.379	38	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]O)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]O){1|H<1>,1|O<2>,3|C<3>}	104.4620	0.423	2	104.4620	0.179	2	105.0804	0.279	17	105.3470	0.379	38	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[5a]C[6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[5a]C[6a])(O[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	105.8620	0.000	1	105.8620	0.000	1	105.5802	0.310	17	105.3470	0.379	38	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a]){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.4565	0.040	2	105.4196	0.046	7	105.5802	0.310	17	105.3470	0.379	38	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a]){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.4055	0.340	2	105.4196	0.046	7	105.5802	0.310	17	105.3470	0.379	38	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.3385	0.359	2	105.4196	0.046	7	105.5802	0.310	17	105.3470	0.379	38	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a]){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.5360	0.000	1	105.4196	0.046	7	105.5802	0.310	17	105.3470	0.379	38	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6,6a]H)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6,6a]H)(O[5a]C[5a,6a]){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.7590	0.000	1	105.5280	0.107	2	105.5802	0.310	17	105.3470	0.379	38	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6,6a]H)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6,6a]H)(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.2970	0.000	1	105.5280	0.107	2	105.5802	0.310	17	105.3470	0.379	38	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(O[5a]C[5a,6a]){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.6587	0.185	3	105.6587	0.034	3	105.5802	0.310	17	105.3470	0.379	38	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[5])(O[5a]C[5a,6a]){1|Ir<6>,1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.3543	1.034	3	105.3543	1.069	3	105.5802	0.310	17	105.3470	0.379	38	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])2{1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(O[5a]C[5a,6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	106.9700	0.000	1	106.9700	0.000	1	105.5802	0.310	17	105.3470	0.379	38	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a,6a]-3:	N[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a]){2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a,6a]){1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	106.8020	0.000	1	106.8020	0.000	1	106.8020	0.000	1	105.3470	0.379	38	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[5,6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]2)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]2)(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]2){6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5,6a]C[5,6a]2)(O[5a]C[5a,6a]){1|H<1>,6|C<3>}	105.2590	0.000	1	105.2590	0.000	1	105.2590	0.000	1	105.3399	0.198	7	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])2{6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a]){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a,6a]){2|H<1>,5|C<3>}	104.9890	0.000	1	104.9890	0.000	1	104.9890	0.000	1	105.3399	0.198	7	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])2{2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	105.5080	0.000	1	105.5080	0.000	1	105.7267	0.173	3	105.3399	0.198	7	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])2{6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(O[5a]C[5a,6a]){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]C[6])(O[5a]C[5a,6a]){2|H<1>,5|C<3>}	105.4660	0.000	1	105.4660	0.000	1	105.7267	0.173	3	105.3399	0.198	7	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]Si[4])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]Si[4])(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])2{2|Si<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]Si[4])(O[5a]C[5a,6a]){2|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]Si[4])(O[5a]C[5a,6a]){2|H<1>,2|N<3>,3|C<3>}	106.2060	0.000	1	106.2060	0.000	1	105.7267	0.173	3	105.3399	0.198	7	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a,6a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a,6a]-3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])2	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])2{6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a]){1|H<1>,6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(O[5a]C[5a,6a]){1|H<1>,6|C<3>}	104.9755	0.011	2	104.9755	0.000	2	104.9755	0.000	2	105.3399	0.198	7	105.4106	0.379	184	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a])(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[6a]N[5a]){4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	103.4070	0.332	2	103.4070	0.110	2	103.4070	0.110	2	103.4070	0.110	2	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(O[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H){1|C<3>,1|N<2>}	105.6072	0.209	4	105.6072	0.044	4	105.6072	0.044	4	105.6072	0.044	4	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(COO)	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a]){1|N<3>,4|C<3>}	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(COO){1|C<3>,1|N<2>}	105.3580	0.000	1	105.3580	0.000	1	105.3580	0.000	1	105.8748	0.191	4	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:C[6]-3:	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6])	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[6a,6a])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6]C[6]2)	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6]){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[6a,6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6]C[6]2){1|H<1>,2|C<3>,2|N<2>}	106.2990	0.000	1	106.2990	0.000	1	106.2990	0.000	1	105.8748	0.191	4	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a]){1|C<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	106.1690	0.000	1	106.1690	0.000	1	106.1690	0.000	1	105.8748	0.191	4	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:O[6a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]O[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(O[6a]C[6a,6a])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]I)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]O[6a])(C[5a]C[5a]C[6a]){1|I<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(O[6a]C[6a,6a])(O[5a]C[5a]){1|I<1>,1|O<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]I)(O[5a]C[5a,6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,3|C<3>}	105.6730	0.000	1	105.6730	0.000	1	105.6730	0.000	1	105.8748	0.191	4	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3){1|C<3>,1|N<2>}	106.9700	0.000	1	106.7780	0.074	2	106.1502	0.348	5	106.1502	0.348	5	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3){1|C<3>,1|N<2>}	106.5860	0.000	1	106.7780	0.074	2	106.1502	0.348	5	106.1502	0.348	5	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCHH)	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a]){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCHH){1|C<3>,1|N<2>}	105.6680	0.000	1	105.6680	0.000	1	106.1502	0.348	5	106.1502	0.348	5	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]N[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCHH)	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]N[6a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCHH){1|C<3>,1|N<2>}	105.7635	0.018	2	105.7635	0.000	2	106.1502	0.348	5	106.1502	0.348	5	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	C[6a]-3:C[5a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a])	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a])(O[5a]C[5a]){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a]){1|H<1>,1|N<2>,3|C<3>}	105.8520	0.000	1	105.8520	0.000	1	105.8520	0.000	1	105.8520	0.000	1	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:H-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(H){2|C<3>}	102.8610	0.000	1	102.8610	0.000	1	103.4592	0.322	5	106.8439	19.209	9	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:H-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(H){2|C<3>}	104.0340	0.253	2	104.0340	0.064	2	103.4592	0.322	5	106.8439	19.209	9	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:H-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(H){2|C<3>}	103.1835	0.230	2	103.1835	0.053	2	103.4592	0.322	5	106.8439	19.209	9	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a]-2:O[5a]-2:O-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](O[5a]C[5a,6a])2(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|O<1>,2|H<1>}	C[5a](O[5a]C[5a,6a])2(O){2|C<3>}	106.9150	0.000	1	106.9150	0.000	1	106.9150	0.000	1	106.8439	19.209	9	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a]-2:S[5a]-2:O-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](O[5a]C[5a,6a])(S[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]O){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5a](O[5a]C[5a,6a])(S[5a]C[5a,6a])(O){2|C<3>}	112.4613	0.467	3	112.4613	0.218	3	112.4613	0.218	3	106.8439	19.209	9	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC){2|C<3>}	103.3700	0.000	1	103.3700	0.000	1	103.3700	0.000	1	103.4949	1.671	15	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:S-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SB[3x3])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SB[3x3]){2|C<3>}	102.4670	0.000	1	102.4670	0.000	1	103.5038	1.798	14	103.4949	1.671	15	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:S-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC){2|C<3>}	103.1373	0.269	6	103.1373	0.073	6	103.5038	1.798	14	103.4949	1.671	15	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:S-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC[5a]){2|C<3>}	102.9080	0.311	2	102.9537	0.055	3	103.5038	1.798	14	103.4949	1.671	15	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:S-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Cl<1>,1|C<3>,1|H<1>,1|S<2>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC[5a]){2|C<3>}	103.0450	0.000	1	102.9537	0.055	3	103.5038	1.798	14	103.4949	1.671	15	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:S-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC[6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC[6a]){2|C<3>}	103.4470	0.000	1	103.4470	0.000	1	103.5038	1.798	14	103.4949	1.671	15	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:S-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SCu)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SCu){2|C<3>}	104.6870	0.000	1	104.6870	0.000	1	103.5038	1.798	14	103.4949	1.671	15	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:S-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SN)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SN){2|C<3>}	102.9710	0.000	1	102.9710	0.000	1	103.5038	1.798	14	103.4949	1.671	15	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:S-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SPt)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|S<2>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SPt){2|C<3>}	107.7960	0.000	1	107.7960	0.000	1	103.5038	1.798	14	103.4949	1.671	15	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCC){2|C<3>}	103.9675	0.913	2	103.9675	0.833	2	103.7925	0.142	27	103.8830	0.308	84	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCH){2|C<3>}	103.8047	0.349	14	103.8047	0.122	14	103.7925	0.142	27	103.8830	0.308	84	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCN)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCN){2|C<3>}	103.2490	0.000	1	103.2490	0.000	1	103.7925	0.142	27	103.8830	0.308	84	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5a]C){2|C<3>}	103.5855	0.062	2	103.5855	0.004	2	103.7925	0.142	27	103.8830	0.308	84	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[6a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[6a]C){2|C<3>}	104.1985	0.556	2	104.1985	0.310	2	103.7925	0.142	27	103.8830	0.308	84	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[6a]O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[6a]O){2|C<3>}	103.8440	0.126	2	103.8440	0.016	2	103.7925	0.142	27	103.8830	0.308	84	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CClC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CClC){2|C<3>}	103.5710	0.000	1	103.5710	0.000	1	103.7925	0.142	27	103.8830	0.308	84	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CNO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CNO){2|C<3>}	103.5530	0.000	1	103.5530	0.000	1	103.7925	0.142	27	103.8830	0.308	84	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CN[5]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CN[5]C){2|C<3>}	103.9650	0.000	1	103.9650	0.000	1	103.7925	0.142	27	103.8830	0.308	84	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CN[6]O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CN[6]O){2|C<3>}	103.6030	0.000	1	103.6030	0.000	1	103.7925	0.142	27	103.8830	0.308	84	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C[5]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[5]N[5]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[5]N[5]2){2|C<3>,2|S<2>}	103.4385	0.338	4	103.4385	0.114	4	103.4385	0.114	4	103.8830	0.308	84	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C[6]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6]C[6]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[6]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6]C[6]2){2|H<1>,4|C<3>}	104.3160	0.000	1	104.3160	0.000	1	104.3160	0.000	1	103.8830	0.308	84	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<4>,3|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	104.2205	0.040	2	104.2205	0.002	2	104.1049	0.331	42	103.8830	0.308	84	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)(O[5a]C[5a]){1|C<2>,1|N<2>,2|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	104.4120	0.445	2	104.4120	0.198	2	104.1049	0.331	42	103.8830	0.308	84	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	104.3810	0.006	2	104.3810	0.000	2	104.1049	0.331	42	103.8830	0.308	84	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6,6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	103.8390	0.000	1	103.8390	0.000	1	104.1049	0.331	42	103.8830	0.308	84	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]H)(O[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	104.0480	0.000	1	104.0480	0.000	1	104.1049	0.331	42	103.8830	0.308	84	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	103.9400	0.000	1	103.9400	0.000	1	104.1049	0.331	42	103.8830	0.308	84	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Br<1>,1|O<2>,2|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	103.9480	0.000	1	104.0773	0.403	33	104.1049	0.331	42	103.8830	0.308	84	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|F<1>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|O<2>,5|C<3>}	103.8290	0.000	1	104.0773	0.403	33	104.1049	0.331	42	103.8830	0.308	84	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	104.2680	0.000	1	104.0773	0.403	33	104.1049	0.331	42	103.8830	0.308	84	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	103.3060	0.000	1	104.0773	0.403	33	104.1049	0.331	42	103.8830	0.308	84	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	103.5362	0.278	4	104.0773	0.403	33	104.1049	0.331	42	103.8830	0.308	84	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,5|C<3>}	104.1920	0.000	1	104.0773	0.403	33	104.1049	0.331	42	103.8830	0.308	84	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|F<1>,5|C<3>}	103.8070	0.000	1	104.0773	0.403	33	104.1049	0.331	42	103.8830	0.308	84	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	103.9586	0.614	5	104.0773	0.403	33	104.1049	0.331	42	103.8830	0.308	84	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	104.3291	0.732	16	104.0773	0.403	33	104.1049	0.331	42	103.8830	0.308	84	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|O<2>,4|C<3>}	103.9980	0.185	2	104.0773	0.403	33	104.1049	0.331	42	103.8830	0.308	84	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:N-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|Br<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(O[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCC){2|C<3>}	103.7310	0.133	2	103.7310	0.018	2	103.3036	0.238	7	103.8830	0.308	84	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:N-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCC){2|C<3>}	103.7910	0.000	1	103.7910	0.000	1	103.3036	0.238	7	103.8830	0.308	84	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:N-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCH){2|C<3>}	102.8610	0.000	1	102.8610	0.000	1	103.3036	0.238	7	103.8830	0.308	84	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:N-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NHH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NHH){2|C<3>}	103.4790	0.000	1	103.4790	0.000	1	103.3036	0.238	7	103.8830	0.308	84	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:N-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<3>,1|C<4>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCC){1|C<3>,1|N<2>}	102.7660	0.025	2	102.7660	0.001	2	103.3036	0.238	7	103.8830	0.308	84	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCC)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C){3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<2>,4|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCC){2|C<3>}	103.1310	0.000	1	103.1310	0.000	1	103.1310	0.000	1	103.8830	0.308	84	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a]){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	103.7270	0.000	1	103.7270	0.000	1	103.5220	0.084	2	103.8830	0.308	84	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a]){1|N<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	103.3170	0.000	1	103.3170	0.000	1	103.5220	0.084	2	103.8830	0.308	84	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]Cl)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CClHH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|Cl<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]Cl)(O[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CClHH){2|C<3>}	103.8980	0.000	1	103.8980	0.000	1	103.9963	0.154	16	103.8181	0.141	32	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CClHH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CClHH){2|C<3>}	104.2070	0.000	1	104.2070	0.000	1	103.9963	0.154	16	103.8181	0.141	32	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCHH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCHH){2|C<3>}	103.3780	0.000	1	103.3780	0.000	1	103.9963	0.154	16	103.8181	0.141	32	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CHHO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CHHO){2|C<3>}	104.0320	0.268	3	104.0320	0.072	3	103.9963	0.154	16	103.8181	0.141	32	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCCH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCCH){2|C<3>}	103.7140	0.115	2	103.7140	0.013	2	103.9963	0.154	16	103.8181	0.141	32	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCHH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CCHH){2|C<3>}	103.5450	0.000	1	103.5450	0.000	1	103.9963	0.154	16	103.8181	0.141	32	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5]CH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5]CH){2|C<3>}	104.2280	0.325	2	104.2280	0.106	2	103.9963	0.154	16	103.8181	0.141	32	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5a]HH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CC[5a]HH){2|C<3>}	103.7040	0.072	2	103.7040	0.005	2	103.9963	0.154	16	103.8181	0.141	32	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CH3){2|C<3>}	104.3355	0.035	2	104.3355	0.001	2	103.9963	0.154	16	103.8181	0.141	32	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CHHP)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CHHP){2|C<3>}	104.8530	0.000	1	104.8530	0.000	1	103.9963	0.154	16	103.8181	0.141	32	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C[4]-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[4])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[4]C[4]2H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[4]){2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[4]C[4]2H){1|C<4>,2|H<1>,4|C<3>}	103.5507	0.234	10	103.5507	0.055	10	103.5507	0.055	10	103.8181	0.141	32	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C[5]-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[5]C[5]2Fe)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[5]C[5]2Fe){2|C<3>,2|C<4>,2|H<1>}	103.8330	0.000	1	103.8330	0.000	1	103.8605	0.042	4	103.8181	0.141	32	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C[5]-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[5]C[5]2Fe)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5]){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[5]C[5]2Fe){2|C<3>,2|C<4>,2|H<1>}	103.8697	0.251	3	103.8697	0.063	3	103.8605	0.042	4	103.8181	0.141	32	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C){3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CH3){2|C<3>}	103.9030	0.000	1	103.6450	0.133	2	103.6450	0.133	2	103.8181	0.141	32	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C){3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(CH3){2|C<3>}	103.3870	0.000	1	103.6450	0.133	2	103.6450	0.133	2	103.8181	0.141	32	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:Br-1:	O[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]Br)	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(Br)	O[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]Br){1|H<1>,3|C<3>}	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(Br){2|C<3>}	104.3480	0.000	1	104.3480	0.000	1	104.3480	0.000	1	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]H)	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H){2|C<3>}	105.3060	0.000	1	105.3060	0.000	1	105.3060	0.000	1	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6]-3:O[5a]-2:H-1:	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6]C[5a,6,6a]C[6])(O[5a]C[5a,6a])(H){1|C<4>,2|C<3>,2|H<1>}	104.3024	0.605	8	104.3024	0.366	8	104.3024	0.366	8	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])2(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])2(O[5a]C[5a]){2|C<3>,2|O<2>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H){2|C<3>}	105.6240	0.080	3	105.6240	0.006	3	105.6240	0.006	3	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6,6a]C[6])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6,6a]C[6])(O[5a]C[5a]){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H){2|C<3>}	105.1750	0.244	3	105.1750	0.059	3	105.1750	0.059	3	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H){2|C<3>}	104.9230	0.000	1	104.9515	0.002	2	104.9515	0.002	2	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H){2|C<3>}	104.9800	0.000	1	104.9515	0.002	2	104.9515	0.002	2	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H){2|C<3>}	105.5075	0.206	2	105.5075	0.042	2	105.3664	0.115	36	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Br)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|Br<1>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]Br)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H){2|C<3>}	105.2900	0.000	1	105.2900	0.000	1	105.3664	0.115	36	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(O[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H){2|C<3>}	104.8660	0.000	1	104.8660	0.000	1	105.3664	0.115	36	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]O)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]O)(O[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H){2|C<3>}	105.0950	0.000	1	105.0950	0.000	1	105.3664	0.115	36	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a]){1|C<3>,2|H<1>,2|O<2>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H){2|C<3>}	105.5533	0.406	4	105.5533	0.165	4	105.3664	0.115	36	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]O)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]O)(O[5a]C[5a]){1|C<3>,1|O<2>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H){2|C<3>}	105.4215	0.313	2	105.4457	0.051	3	105.3664	0.115	36	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]O)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]O)(O[5a]C[5a]){1|C<3>,2|H<1>,2|O<2>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H){2|C<3>}	105.4940	0.000	1	105.4457	0.051	3	105.3664	0.115	36	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H){2|C<3>}	105.3238	0.267	5	105.3810	0.073	11	105.3664	0.115	36	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|H<1>,3|C<4>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H){2|C<3>}	105.0480	0.000	1	105.3810	0.073	11	105.3664	0.115	36	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H){2|C<3>}	105.4535	0.064	2	105.3810	0.073	11	105.3664	0.115	36	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H){2|C<3>}	105.5390	0.336	3	105.3810	0.073	11	105.3664	0.115	36	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[5])(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]C[5a,6a]C[5])(O[5a]C[5a,6a])(H){1|O<2>,4|C<3>}	106.0010	0.000	1	106.0010	0.000	1	105.3664	0.115	36	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,2|C<3>,2|O<2>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(H){4|C<3>}	105.6230	0.000	1	105.6985	0.011	2	105.3664	0.115	36	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(H){4|C<3>}	105.7740	0.000	1	105.6985	0.011	2	105.3664	0.115	36	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H){2|C<3>}	104.9890	0.220	3	105.0757	0.062	4	105.3664	0.115	36	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,4|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H){2|C<3>}	105.3360	0.000	1	105.0757	0.062	4	105.3664	0.115	36	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]Si)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|Si<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Si<4>,1|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]Si)(O[5a]C[5a,6a])(H){2|C<3>}	105.0660	0.218	2	105.0660	0.047	2	105.3664	0.115	36	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H){2|C<3>}	104.9710	0.000	1	104.9710	0.000	1	105.3664	0.115	36	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6,6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6,6a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H){2|C<3>}	104.9990	0.000	1	104.9990	0.000	1	105.3664	0.115	36	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,2|H<1>,2|O<2>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H){2|C<3>}	106.0360	0.000	1	106.0360	0.000	1	105.3664	0.115	36	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]O)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]O)(O[5a]C[5a]){1|C<3>,2|H<1>,2|O<2>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(H){2|C<3>}	105.3440	0.000	1	105.3440	0.000	1	105.3664	0.115	36	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(N)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<1>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(N){2|C<3>}	106.1508	0.241	4	106.1508	0.058	4	106.1508	0.058	4	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:O-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(O){4|C<3>}	107.0150	0.000	1	107.0150	0.000	1	107.2812	0.112	4	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:O-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]O)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a,6a]O)(O[5a]C[5a,6a])(O){2|C<3>}	106.9730	0.000	1	106.9730	0.000	1	107.2812	0.112	4	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:O-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){1|C<3>,1|N<3>}	107.5685	0.074	2	107.5685	0.006	2	107.2812	0.112	4	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-3:O[5a]-2:O-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|O<1>,2|C<3>,2|C<4>}	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	107.9480	0.000	1	107.9480	0.000	1	107.4520	0.519	56	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-3:O[5a]-2:O-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	107.5970	0.000	1	107.6613	0.594	34	107.4520	0.519	56	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-3:O[5a]-2:O-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|I<3>,1|O<1>}	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	107.1170	0.000	1	107.6613	0.594	34	107.4520	0.519	56	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-3:O[5a]-2:O-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	107.2393	0.629	13	107.6613	0.594	34	107.4520	0.519	56	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-3:O[5a]-2:O-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	107.8450	0.000	1	107.6613	0.594	34	107.4520	0.519	56	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-3:O[5a]-2:O-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	106.9935	0.774	2	107.6613	0.594	34	107.4520	0.519	56	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-3:O[5a]-2:O-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	107.7140	0.000	1	107.6613	0.594	34	107.4520	0.519	56	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-3:O[5a]-2:O-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	108.1409	0.720	15	107.6613	0.594	34	107.4520	0.519	56	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-3:O[5a]-2:O-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(O[5a]C[5a,6a])(O){2|C<3>}	107.2660	0.000	1	107.1887	0.011	8	107.4520	0.519	56	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-3:O[5a]-2:O-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|O<1>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(O[5a]C[5a,6a])(O){2|C<3>}	107.2105	0.135	4	107.1887	0.011	8	107.4520	0.519	56	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-3:O[5a]-2:O-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(O[5a]C[5a,6a])(O){2|C<3>}	107.1340	0.037	3	107.1887	0.011	8	107.4520	0.519	56	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-3:O[5a]-2:O-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a]Ni)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|Ni<6>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Ni<6>,1|C<3>,1|O<1>,2|H<1>}	C[5a](N[5a]C[5a,6a]Ni)(O[5a]C[5a,6a])(O){2|C<3>}	105.4070	0.000	1	105.4070	0.000	1	107.4520	0.519	56	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-3:O[5a]-2:O-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a]Si)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|Si<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Si<4>,1|C<3>,1|O<1>,2|H<1>}	C[5a](N[5a]C[5a,6a]Si)(O[5a]C[5a,6a])(O){2|C<3>}	107.2834	0.340	8	107.2834	0.115	8	107.4520	0.519	56	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-3:O[5a]-2:O-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a]Si[5,6])(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|Si<5>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Si<5>,1|C<3>,1|O<1>,2|H<1>}	C[5a](N[5a]C[5a,6a]Si[5,6])(O[5a]C[5a,6a])(O){1|N<3>,2|O<2>,3|C<3>}	106.8640	0.081	2	106.7817	0.024	3	107.4520	0.519	56	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-3:O[5a]-2:O-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a]Si[5,6])(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|Si<6>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Si<6>,1|C<3>,1|O<1>,2|H<1>}	C[5a](N[5a]C[5a,6a]Si[5,6])(O[5a]C[5a,6a])(O){2|N<3>,2|O<2>,3|C<3>}	106.6170	0.000	1	106.7817	0.024	3	107.4520	0.519	56	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-3:O[5a]-2:O-1:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Si)(O[5a]C[5a])	C[5a](N[5a]C[5a,6a]H)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|Si<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Si)(O[5a]C[5a]){1|C<3>,1|O<1>,3|H<1>}	C[5a](N[5a]C[5a,6a]H)(O[5a]C[5a,6a])(O){2|C<3>}	107.3500	0.000	1	107.3500	0.000	1	107.4520	0.519	56	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[6,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:O-1:	O[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]O)	C[5a,6a](C[6,6a]C[5a,6]N[6,6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]O){1|N<3>,3|C<3>}	C[5a,6a](C[6,6a]C[5a,6]N[6,6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	106.9745	0.202	2	106.9745	0.041	2	106.9745	0.041	2	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H){1|C<4>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(H){2|C<3>}	104.9210	0.000	1	104.9210	0.000	1	105.1800	0.075	3	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(H)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(H){4|C<3>}	105.3095	0.221	2	105.3095	0.049	2	105.1800	0.075	3	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	N[5a]-3:O[5a]-2:O-1:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]O){1|C<4>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	107.0810	0.000	1	106.7980	0.160	2	106.7980	0.160	2	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	N[5a]-3:O[5a]-2:O-1:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]O)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a])	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]O){1|C<4>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6a]C)(O[5a]C[5a,6a])(O){2|C<3>}	106.5150	0.000	1	106.7980	0.160	2	106.7980	0.160	2	106.3495	1.582	125	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a]){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	103.0030	0.231	2	103.0030	0.053	2	103.2359	0.036	8	103.9446	1.058	24	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	103.2455	0.127	2	103.2455	0.016	2	103.2359	0.036	8	103.9446	1.058	24	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	103.2890	0.098	2	103.2890	0.010	2	103.2359	0.036	8	103.9446	1.058	24	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]N[5a]O[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]O[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){4|C<3>}	103.4060	0.021	2	103.4060	0.000	2	103.2359	0.036	8	103.9446	1.058	24	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CN)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|Cl<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(O[5a]C[5a]){1|Cl<1>,1|C<3>,1|N<3>,2|C<2>}	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CN){2|C<3>}	104.0750	0.000	1	104.0750	0.000	1	104.6347	0.161	4	103.9446	1.058	24	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CC){2|C<3>}	105.0080	0.000	1	105.0080	0.000	1	104.6347	0.161	4	103.9446	1.058	24	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[5])(O[5a]C[5a,6a])(CN)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a]C[5a,6a]C[5])(O[5a]C[5a,6a])(CN){1|C<4>,1|H<1>,3|C<3>}	104.7280	0.117	2	104.7280	0.014	2	104.6347	0.161	4	103.9446	1.058	24	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NC){4|C<3>}	106.0303	0.359	3	106.0303	0.129	3	106.0303	0.129	3	103.9446	1.058	24	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:S-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(SC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|S<2>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(SC){2|C<3>}	104.5580	0.000	1	104.5580	0.000	1	104.5580	0.000	1	103.9446	1.058	24	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(O[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	103.8750	0.000	1	103.8750	0.000	1	103.5893	0.303	6	103.9446	1.058	24	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	103.5322	0.595	5	103.5322	0.355	5	103.5893	0.303	6	103.9446	1.058	24	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	N[5a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	102.9030	0.000	1	102.9030	0.000	1	102.9030	0.000	1	103.9446	1.058	24	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N[5a]){1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	103.1560	0.000	1	103.1560	0.000	1	103.1560	0.000	1	103.9446	1.058	24	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6,6a]-3:C[6a,6a]-3:O[5a]-2:	C[5a,6]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a]C[5a,6]C[6a])	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a])	C[5a](C[5a,6]C[5a,6,6a]C[5,6])(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6,6a]C[6a,6a])(C[5a]C[5a,6]C[6a]){1|C<4>,5|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	C[5a](C[5a,6]C[5a,6,6a]C[5,6])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	106.6280	0.427	2	106.6280	0.182	2	106.6280	0.182	2	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a])	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a,6]C[5a,6,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a,6]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,4|C<3>}	C[5a](C[5a,6]C[5a,6,6a]C[6,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	107.0460	0.020	2	107.0460	0.000	2	107.0460	0.000	2	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(O[5a]C[5a,6a])(CSiH)	O[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(O[5a]C[5a,6a])(CSiH){1|H<1>,3|C<3>}	107.1170	0.000	1	107.1170	0.000	1	107.1170	0.000	1	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6]-3:	O[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C[6])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6]C[6,6a]2)	O[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C[6]){6|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(O[5a]C[5a]){1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6]C[6,6a]2){8|C<3>}	107.5360	0.000	1	107.5360	0.000	1	107.5360	0.000	1	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	106.6110	0.000	1	106.6110	0.000	1	106.6110	0.000	1	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6,6a]N[6])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6,6a]N[6])(O[5a]C[5a]){1|Zn<5>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.8545	0.356	2	105.8545	0.127	2	105.8545	0.127	2	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]O){2|C<3>}	106.5360	0.000	1	106.5360	0.000	1	105.6652	0.500	85	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCH){2|C<3>}	106.7450	0.000	1	107.2405	0.491	2	105.6652	0.500	85	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCH){2|C<3>}	107.7360	0.000	1	107.2405	0.491	2	105.6652	0.500	85	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCO){2|C<3>}	106.3740	0.000	1	106.3740	0.000	1	105.6652	0.500	85	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CC[6a]O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CC[6a]O){2|C<3>}	105.9460	0.000	1	105.9460	0.000	1	105.6652	0.500	85	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CHN)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CHN){2|C<3>}	106.5850	0.000	1	106.5850	0.000	1	105.6652	0.500	85	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CNO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CNO){2|C<3>}	105.4010	0.283	5	105.4010	0.080	5	105.6652	0.500	85	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(COO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(COO){2|C<3>}	105.7230	1.370	8	105.7230	1.878	8	105.6652	0.500	85	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCC){2|C<3>}	105.6920	0.299	3	105.6920	0.089	3	105.6652	0.500	85	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCH){2|C<3>}	105.8683	0.843	17	105.8683	0.710	17	105.6652	0.500	85	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCN)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCN){2|C<3>}	105.6090	0.091	3	105.6090	0.008	3	105.6652	0.500	85	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCO){2|C<3>}	105.6463	0.339	9	105.6463	0.115	9	105.6652	0.500	85	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[4]O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[4]O){2|C<3>}	105.5200	0.000	1	105.5200	0.000	1	105.6652	0.500	85	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[5a]O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[5a]O){2|C<3>}	105.4440	0.000	1	105.4440	0.000	1	105.6652	0.500	85	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[6a]O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[6a]O){2|C<3>}	105.9520	0.000	1	105.8870	0.008	2	105.6652	0.500	85	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[6a]O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[6a]O){2|C<3>}	105.8220	0.000	1	105.8870	0.008	2	105.6652	0.500	85	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CNO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CNO){2|C<3>}	105.0805	0.332	2	105.0805	0.110	2	105.6652	0.500	85	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(COO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(COO){2|C<3>}	105.3200	0.000	1	105.3200	0.000	1	105.6652	0.500	85	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CCO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CCO){2|C<3>}	105.4580	0.139	3	105.4580	0.019	3	105.6652	0.500	85	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]C)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]C){2|C<3>}	105.8865	0.839	2	105.8865	0.704	2	105.6652	0.500	85	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]O){2|C<3>}	105.3950	0.161	2	105.3950	0.026	2	105.6652	0.500	85	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(COO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(COO){2|C<3>}	105.6790	0.000	1	105.4540	0.101	2	105.6652	0.500	85	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(COO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(COO){2|C<3>}	105.2290	0.000	1	105.4540	0.101	2	105.6652	0.500	85	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]O)(O[5a]C[5a,6a])(CC[6a]O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]O)(O[5a]C[5a,6a])(CC[6a]O){2|C<3>}	105.3470	0.562	6	105.3470	0.316	6	105.6652	0.500	85	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCC){2|C<3>}	106.3550	0.000	1	106.3550	0.000	1	105.6652	0.500	85	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCO){2|C<3>}	105.2060	0.000	1	105.2060	0.000	1	105.6652	0.500	85	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CCO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CCO){2|C<3>}	105.1937	0.047	3	105.1937	0.002	3	105.6652	0.500	85	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(COO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(COO){2|C<3>}	104.7380	0.000	1	104.7380	0.000	1	105.6652	0.500	85	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CC[6a]O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CC[6a]O){4|C<3>}	105.2040	0.000	1	105.2040	0.000	1	105.6652	0.500	85	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[4]O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[4]O){2|C<3>}	105.4240	0.000	1	105.4240	0.000	1	105.6652	0.500	85	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CNO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CNO){2|C<3>}	105.4580	0.175	2	105.4580	0.031	2	105.6652	0.500	85	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(COO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Br<1>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(COO){2|C<3>}	105.3730	0.000	1	105.3730	0.000	1	105.6652	0.500	85	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(COO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(COO){2|C<3>}	105.4090	0.000	1	105.4090	0.000	1	105.6652	0.500	85	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[5]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]C[5]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]C[5]2){1|H<1>,5|C<3>}	106.0910	0.000	1	106.0910	0.000	1	106.0910	0.000	1	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[5a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5a]N[5a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5a]N[5a]2){2|N<2>,3|C<3>}	105.3780	0.000	1	105.3780	0.000	1	105.3780	0.000	1	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6]C[6]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6]C[6]2){2|H<1>,4|C<3>}	105.5450	0.000	1	105.5450	0.000	1	105.3710	0.036	3	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6]C[6]O[6])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6]){1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6]C[6]O[6]){1|C<4>,4|C<3>}	105.4010	0.000	1	105.4010	0.000	1	105.3710	0.036	3	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(C[6]C[6]N[6])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6]){1|H<1>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(C[6]C[6]N[6]){1|Cu<4>,1|H<1>,4|C<3>}	105.1670	0.000	1	105.1670	0.000	1	105.3710	0.036	3	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	107.0100	0.000	1	107.0100	0.000	1	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|H<1>,1|O<2>,1|S<3>,2|C<3>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.9665	0.264	6	106.9665	0.070	6	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	106.8744	0.267	5	106.8744	0.071	5	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]C[6a])(O[5a]C[5a]){2|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.4515	0.019	2	106.4515	0.000	2	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.4960	0.000	1	106.4960	0.000	1	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){1|C<2>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	107.9220	0.000	1	107.9220	0.000	1	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.8860	0.000	1	105.8860	0.000	1	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.3620	0.000	1	106.8300	0.100	24	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|S<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2){1|F<1>,1|H<1>,4|C<3>}	106.1885	0.138	2	106.8300	0.100	24	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|S<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.9134	0.233	21	106.8300	0.100	24	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|Cl<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Cl)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.5970	0.000	1	105.5970	0.000	1	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<2>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	107.0860	0.211	5	106.7611	0.505	11	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.9430	0.040	2	106.7611	0.505	11	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.8667	0.835	3	106.7611	0.505	11	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|O<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	107.4560	0.000	1	106.7611	0.505	11	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[5])(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[5])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	106.7280	0.000	1	106.6595	0.009	2	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[5])(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[5])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	106.5910	0.000	1	106.6595	0.009	2	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Br<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	106.2580	0.000	1	106.1653	0.105	10	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	105.9807	0.190	3	106.1653	0.105	10	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<2>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	106.6930	0.000	1	106.1653	0.105	10	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,7|C<3>}	105.7390	0.000	1	106.1653	0.105	10	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	106.2553	0.297	4	106.1653	0.105	10	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.3920	0.000	1	105.9633	0.072	15	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,2|C<3>,2|O<2>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.1105	0.145	2	105.9633	0.072	15	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.0420	0.000	1	105.9633	0.072	15	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	106.0000	0.000	1	105.9633	0.072	15	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.9988	0.267	9	105.9633	0.072	15	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.8060	0.000	1	105.9633	0.072	15	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	106.1050	0.000	1	106.3650	0.139	7	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	106.5020	0.000	1	106.3650	0.139	7	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.3896	0.432	5	106.3650	0.139	7	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]O)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]O)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.8670	0.000	1	106.8670	0.000	1	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2){1|F<1>,1|H<1>,4|C<3>}	105.9360	0.000	1	106.5877	0.128	72	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.3731	0.393	16	106.5877	0.128	72	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2){1|F<1>,1|H<1>,4|C<3>}	106.5800	0.234	3	106.5877	0.128	72	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.6348	0.308	48	106.5877	0.128	72	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|S<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	107.0495	0.112	4	106.5877	0.128	72	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	104.5090	0.000	1	105.2420	1.075	2	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.9750	0.000	1	105.2420	1.075	2	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a]){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	106.2760	0.000	1	106.2760	0.000	1	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.4400	0.064	2	105.4400	0.004	2	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]I)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|I<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|H<1>,1|I<1>,2|C<3>}	C[5a](C[5a]C[5a,6a]I)(O[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	106.5050	0.000	1	106.5050	0.000	1	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.1360	0.000	1	106.1360	0.000	1	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.6780	0.093	2	106.6780	0.009	2	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[5])(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[5])(O[5a]C[5a,6a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	106.2140	0.000	1	106.2140	0.000	1	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	105.8700	0.000	1	105.8700	0.000	1	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.5580	0.000	1	106.5580	0.000	1	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.9500	0.000	1	106.7870	0.053	2	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.6240	0.000	1	106.7870	0.053	2	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|S<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.2740	0.427	4	106.4502	0.113	12	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|S<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|S<3>,3|C<3>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.5384	0.271	8	106.4502	0.113	12	106.5252	0.236	186	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(NCC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){2|C<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(O[5a]C[5a]){1|N<3>,2|C<2>,2|C<3>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(NCC){2|C<3>}	107.2600	0.000	1	107.2600	0.000	1	105.8658	0.948	15	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(NHH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){2|C<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(O[5a]C[5a]){1|N<3>,2|C<2>,2|C<3>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(NHH){2|C<3>}	106.5440	0.000	1	106.5440	0.000	1	105.8658	0.948	15	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(NCC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|C<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C[6a])(O[5a]C[5a]){1|C<2>,1|N<3>,5|C<3>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(NCC){2|C<3>}	107.6520	0.000	1	107.6520	0.000	1	105.8658	0.948	15	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NHH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NHH){4|C<3>}	106.5070	0.000	1	106.5070	0.000	1	105.8658	0.948	15	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(NHH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(NHH){2|C<3>}	106.1140	0.000	1	106.1140	0.000	1	105.8658	0.948	15	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NCC)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NCC){4|C<3>}	106.5580	0.366	2	106.5580	0.134	2	105.8658	0.948	15	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NHH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NHH){4|C<3>}	105.2390	0.184	2	105.3353	0.045	3	105.8658	0.948	15	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NHH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NHH){1|N<2>,3|C<3>}	105.5280	0.000	1	105.3353	0.045	3	105.8658	0.948	15	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(NCH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(NCH){2|C<3>}	105.3330	0.000	1	105.3330	0.000	1	105.8658	0.948	15	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a,6a]O)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(NC[6a]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|O<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a,6a]O)(O[5a]C[5a]){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(NC[6a]H){1|C<3>,1|O<2>}	105.6420	0.000	1	105.6420	0.000	1	105.8658	0.948	15	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NOO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NOO){4|C<3>}	104.6043	0.195	3	104.6043	0.038	3	105.8658	0.948	15	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:P-3:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6]2)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|P<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6]2){4|C<3>}	106.3120	0.000	1	106.3120	0.000	1	106.3120	0.000	1	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCH)	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(O[5a]C[5a]){1|N<3>,2|C<3>,2|O<1>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCH){1|C<3>,1|N<3>}	106.3460	0.000	1	106.3460	0.000	1	106.2280	0.028	2	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CC[6a]H)	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C){4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(O[5a]C[5a]){1|N<3>,2|C<3>,2|O<1>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CC[6a]H){1|C<3>,1|N<3>}	106.1100	0.000	1	106.1100	0.000	1	106.2280	0.028	2	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C)(O[5a]C[5a]){1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	105.4060	0.000	1	105.4060	0.000	1	105.4060	0.000	1	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CC[4]O)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CC[4]O){2|C<3>}	105.5540	0.000	1	105.5540	0.000	1	106.0228	0.212	4	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CC[6a]O)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CC[6a]O){4|C<3>}	106.1085	0.559	2	106.1085	0.313	2	106.0228	0.212	4	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]O)(O[5a]C[5a,6a])(COO)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){1|O<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]O)(O[5a]C[5a,6a])(COO){2|C<3>}	106.3200	0.000	1	106.3200	0.000	1	106.0228	0.212	4	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a]){6|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){2|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	105.3710	0.000	1	105.3710	0.000	1	105.9410	0.331	3	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	105.9310	0.000	1	105.9310	0.000	1	105.9410	0.331	3	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6a]-3:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a]){1|S<3>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|S<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.5210	0.000	1	106.5210	0.000	1	105.9410	0.331	3	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(NHS)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N){1|C<4>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(NHS){2|C<3>}	104.4970	0.000	1	104.4970	0.000	1	104.4025	0.018	2	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NOO)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]N){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NOO){4|C<3>}	104.3080	0.000	1	104.3080	0.000	1	104.4025	0.018	2	106.2173	0.517	313	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>,2|S<2>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	105.9910	0.000	1	105.9910	0.000	1	105.5037	0.182	3	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[6a,6a]C[5a])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){1|O<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6a]C[6a,6a]C[5a])(O[5a]C[5a]){1|C<4>,1|S<2>,4|C<3>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	105.2600	0.093	2	105.2600	0.009	2	105.5037	0.182	3	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6,6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6,6a]C[6])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6,6a]C[6,6a]C[6])(O[5a]C[5a]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CH3){2|C<3>}	104.0970	0.000	1	104.0970	0.000	1	104.0970	0.000	1	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	106.1090	0.000	1	106.1090	0.000	1	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|O<2>,1|S<2>,2|C<4>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	106.7040	0.000	1	106.7893	0.243	3	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	107.3190	0.000	1	106.7893	0.243	3	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|S<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	106.3450	0.000	1	106.7893	0.243	3	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(O[5a]C[5a]){2|C<4>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3){2|C<3>}	106.1700	0.000	1	106.1700	0.000	1	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CCFF)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CCFF){4|C<3>}	105.6400	0.000	1	105.6400	0.000	1	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]HH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	106.1560	0.000	1	106.1560	0.000	1	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<3>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	107.4350	0.000	1	107.2300	0.084	2	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	107.0250	0.000	1	107.2300	0.084	2	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<2>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	106.5620	0.031	2	106.5620	0.001	2	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CH3){4|C<3>}	106.6845	0.197	2	106.6845	0.039	2	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	106.7390	0.000	1	106.7390	0.000	1	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]O)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6,6a]O)(O[5a]C[5a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CH3){2|C<3>}	106.1170	0.000	1	106.1170	0.000	1	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3){2|C<3>}	106.7750	0.000	1	106.7750	0.000	1	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[6a]HH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	105.7578	0.129	5	105.7578	0.017	5	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CH3){2|C<3>}	106.0590	0.000	1	106.0590	0.000	1	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CCHH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CCHH){2|C<3>}	105.7243	0.200	3	106.0833	0.343	7	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CCHH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CCHH){2|C<3>}	105.6140	0.000	1	106.0833	0.343	7	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CCHH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CCHH){2|C<3>}	106.2965	0.161	2	106.0833	0.343	7	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CCHH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CCHH){2|C<3>}	107.2030	0.000	1	106.0833	0.343	7	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	106.4891	0.161	18	106.7401	0.083	43	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|H<1>,1|S<3>,2|C<4>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	106.8100	0.000	1	106.7401	0.083	43	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|S<3>,3|C<4>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	106.6760	0.261	6	106.7401	0.083	43	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	107.0086	0.123	18	106.7401	0.083	43	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCHH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCHH){2|C<3>}	106.4640	0.000	1	106.4640	0.000	1	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCHO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCHO){2|C<3>}	105.5460	0.072	2	105.5460	0.005	2	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CC[5a]CH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CC[5a]CH){2|C<3>}	105.4825	0.260	2	105.4825	0.067	2	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CF3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CF3){2|C<3>}	105.3430	0.000	1	105.3430	0.000	1	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3){2|C<3>}	105.9250	0.000	1	106.3752	0.178	6	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3){2|C<3>}	107.0330	0.000	1	106.3752	0.178	6	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3){2|C<3>}	106.0785	0.069	2	106.3752	0.178	6	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3){2|C<3>}	106.5680	0.007	2	106.3752	0.178	6	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CHHS)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CHHS){2|C<3>}	105.9810	0.000	1	105.9810	0.000	1	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6])(O[5a]C[5a,6a])(CCCH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C[6])(O[5a]C[5a,6a])(CCCH){1|C<4>,3|C<3>}	106.7030	0.000	1	106.7030	0.000	1	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CCHH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CCHH){4|C<3>}	106.5440	0.381	3	106.5440	0.145	3	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CC[6a]HH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CC[6a]HH){4|C<3>}	105.7590	0.000	1	105.7590	0.000	1	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC3){2|C<3>}	106.0395	0.330	2	106.0395	0.109	2	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCHH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCHH){2|C<3>}	105.9905	0.422	2	105.9905	0.178	2	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCHO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCHO){2|C<3>}	106.1010	0.286	2	105.9940	0.075	3	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCHO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CCHO){2|C<3>}	105.7800	0.000	1	105.9940	0.075	3	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[5]HH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[5]HH){2|C<3>}	105.8390	0.000	1	105.8390	0.000	1	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CP[6]HH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CP[6]HH){2|C<3>}	104.6590	0.000	1	104.6590	0.000	1	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]CH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]CH){2|C<3>}	105.7488	0.571	5	105.7488	0.326	5	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]C[5]H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]C[5]H){2|C<3>}	106.3880	0.000	1	106.3880	0.000	1	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]HO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]HO){2|C<3>}	105.9435	0.490	2	105.9435	0.240	2	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]HP)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]N)(O[5a]C[5a,6a])(CC[6a]HP){2|C<3>}	106.1090	0.000	1	106.1090	0.000	1	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]P)(O[5a]C[5a,6a])(CC[6a]2O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|P<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5a](C[5a]C[5a,6a]P)(O[5a]C[5a,6a])(CC[6a]2O){2|C<3>}	106.8020	0.000	1	106.8020	0.000	1	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]P[6])(O[5a]C[5a,6a])(CCHH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|P<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5a](C[5a]C[5a,6a]P[6])(O[5a]C[5a,6a])(CCHH){1|O<1>,2|C<3>,2|O<2>}	106.7990	0.000	1	106.7990	0.000	1	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CCHH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CCHH){2|C<3>}	105.6577	0.199	19	105.9834	0.127	41	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CCHH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CCHH){2|C<3>}	106.2646	0.169	22	105.9834	0.127	41	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	106.1743	0.091	3	106.7073	0.106	120	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	106.4827	0.170	44	106.7073	0.106	120	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|H<1>,1|S<3>,2|C<4>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	106.3300	0.000	1	106.7073	0.106	120	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|S<3>,3|C<4>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	106.4807	0.128	19	106.7073	0.106	120	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	107.0145	0.191	52	106.7073	0.106	120	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	106.8890	0.000	1	106.7073	0.106	120	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CH3){2|C<3>}	105.3900	0.000	1	105.3900	0.000	1	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCHH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CCHH){2|C<3>}	105.9350	0.000	1	105.9350	0.000	1	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Br<1>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3){2|C<3>}	106.0300	0.000	1	106.0025	0.002	2	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(CH3){2|C<3>}	105.9750	0.000	1	106.0025	0.002	2	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CC[6a]HH)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CC[6a]HH){4|C<3>}	106.0910	0.000	1	106.0910	0.000	1	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[6a]2H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CC[6a]2H){2|C<3>}	105.3600	0.000	1	105.3600	0.000	1	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	106.5380	0.419	2	106.9106	0.138	14	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|S<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,1|S<3>,2|C<3>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	106.5948	0.308	4	106.9106	0.138	14	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|S<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	107.1617	0.145	8	106.9106	0.138	14	106.4724	0.261	291	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[3]-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[3])	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[3]C[3]2H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[3]){2|C<3>,2|C<4>,3|H<1>}	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[3]C[3]2H){2|C<3>,4|H<1>}	106.0210	0.000	1	106.0210	0.000	1	106.0210	0.000	1	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[5]-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]C[5]2H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(O[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]C[5]2H){1|O<1>,2|C<4>,3|C<3>}	105.3140	0.000	1	105.3140	0.000	1	105.3140	0.000	1	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C[6]-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]P)(O[5a]C[5a,6a])(C[6]C[6]2H)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6]){1|P<4>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	C[5a](C[5a]C[5a,6a]P)(O[5a]C[5a,6a])(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	106.8940	0.078	2	106.8940	0.006	2	106.8940	0.006	2	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:P-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6]2S)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|P<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6]2S){4|C<3>}	106.1240	0.000	1	106.1240	0.000	1	106.0356	0.055	7	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:P-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6a]2O)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|P<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6a]2O){4|C<3>}	105.9460	0.000	1	105.9460	0.000	1	106.0356	0.055	7	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:P-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6a]2S)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Cl<1>,1|H<1>,1|P<4>,2|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6a]2S){4|C<3>}	106.1020	0.134	2	106.0358	0.079	5	106.0356	0.055	7	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:P-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6a]2S)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6a]2S){4|C<3>}	106.2030	0.119	2	106.0358	0.079	5	106.0356	0.055	7	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:P-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6a]2S)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|P<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6a]2S){4|C<3>}	105.5690	0.000	1	106.0358	0.079	5	106.0356	0.055	7	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:S-4:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]Br)(O[5a]C[5a,6a])(SC[6a]OO)	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S){1|Br<1>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Br<1>,1|C<3>,1|S<4>,2|H<1>}	C[5a](C[5a]C[5a,6a]Br)(O[5a]C[5a,6a])(SC[6a]OO){2|C<3>}	105.6220	0.000	1	105.6220	0.000	1	105.6220	0.000	1	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CCHH)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CCHH){4|C<3>}	106.5040	0.000	1	106.5040	0.000	1	106.5954	0.562	9	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(CH3){4|C<3>}	106.2540	0.955	2	106.2540	0.911	2	106.5954	0.562	9	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(CH3){2|C<3>}	105.3080	0.000	1	105.3080	0.000	1	106.5954	0.562	9	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CCFF)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){1|S<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CCFF){2|C<3>}	107.1990	0.000	1	107.1990	0.000	1	106.5954	0.562	9	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){1|S<3>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,1|S<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	106.2200	0.000	1	106.9600	0.264	4	106.5954	0.562	9	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3)	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){1|S<4>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]S)(O[5a]C[5a,6a])(CH3){2|C<3>}	107.2067	0.177	3	106.9600	0.264	4	106.5954	0.562	9	106.4444	0.296	316	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:O[5a]-2:	C[6a]-3:C[5a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a])	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C)(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C[6a]){6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O[5a]C[5a]){1|H<1>,6|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C)(O[5a]C[5a,6a]){1|O<2>,5|C<3>}	106.0000	0.000	1	106.0000	0.000	1	106.0000	0.000	1	105.5582	0.425	14	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[5]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(C[5]Se[5]N[5])(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5]){1|Se<2>,1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(C[5]Se[5]N[5])(O[5a]C[5a,6a]){4|C<3>}	105.3600	0.000	1	105.3600	0.000	1	105.3600	0.000	1	105.5582	0.425	14	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<2>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(O[5a]C[5a,6a]){7|C<3>}	106.2790	0.000	1	106.2790	0.000	1	105.7495	0.091	6	105.5582	0.425	14	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|N<3>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a]){1|C<4>,5|C<3>}	105.8300	0.000	1	105.8300	0.000	1	105.7495	0.091	6	105.5582	0.425	14	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|O<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	105.6453	0.151	3	105.6453	0.023	3	105.7495	0.091	6	105.5582	0.425	14	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a]){4|C<3>}	105.4520	0.000	1	105.4520	0.000	1	105.7495	0.091	6	105.5582	0.425	14	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:C[5a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a]){5|C<3>}	105.6900	0.000	1	105.6900	0.000	1	106.3425	0.852	2	105.5582	0.425	14	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:C[5a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C)(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<2>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a,6a]C)(O[5a]C[5a,6a]){1|H<1>,5|C<3>}	106.9950	0.000	1	106.9950	0.000	1	106.3425	0.852	2	105.5582	0.425	14	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[6,6,6a]-3:C[5a,6a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:O[5a]-2:	O[5a](C[5a,6a]C[6,6,6a]C[5a,6a])(C[5a]C[5a]2)	C[5a,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[6,6,6a]C[5a,6a])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a]){4|C<3>}	104.8183	0.339	4	104.8183	0.115	4	104.8183	0.115	4	105.5582	0.425	14	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:4:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[5]-4:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(O[5a]C[5a,6a]){2|C<3>,2|C<4>,2|H<1>}	105.5650	0.126	2	105.5650	0.016	2	105.6520	0.031	3	105.6925	0.027	4	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:4:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[5]-4:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]O)(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5]){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]O)(O[5a]C[5a,6a]){1|N<2>,2|H<1>,3|C<3>}	105.8260	0.000	1	105.8260	0.000	1	105.6520	0.031	3	105.6925	0.027	4	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	3:4:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6]-4:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a,6a]H)(C[6]C[6,6a]2H)(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6]){3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(C[6]C[6,6a]2H)(O[5a]C[5a,6a]){6|C<3>}	105.8140	0.000	1	105.8140	0.000	1	105.8140	0.000	1	105.6925	0.027	4	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	4:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5,6]-4:N[5a]-2:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,6]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5,6]C[5,5,6]C[5,6]H)(N[5a]C[5a,6a])(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,6]N[5a]){2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](C[5,6]C[5,5,6]C[5,6]H)(N[5a]C[5a,6a])(O[5a]C[5a,6a]){2|H<1>,3|C<3>,3|C<4>}	104.0580	0.000	1	104.0580	0.000	1	104.0580	0.000	1	104.0580	0.000	1	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a,6a]	C[5a]	3:3:	3:3:2:	4:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5]-4:C[5a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[5a,6a]Cl)(O[5a]C[5a,6a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5]){1|Cl<1>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[5a,6a]Cl)(O[5a]C[5a,6a]){1|N<3>,1|O<1>,4|C<3>}	106.1330	0.000	1	106.1330	0.000	1	106.1330	0.000	1	106.1330	0.000	1	105.9049	1.601	954	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a,5a]	3:3:	3:3:2:	3:3:2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a,5a]-3:C[5a]-3:O[5a]-2:	O[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a,5a]H)(O[5a]C[5a,5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a,5a]H)(O[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,2|H<1>}	104.5520	0.000	1	104.5520	0.000	1	105.2633	0.419	3	105.2633	0.419	3	105.2633	0.419	3	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a,5a]	3:3:	3:3:2:	3:3:2:	C[5a,5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a,5a]-3:C[5a]-3:O[5a]-2:	O[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(O[5a]C[5a,5a])	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]2){2|C<3>,2|H<1>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a,5a]H)(O[5a]C[5a,5a]){1|H<1>,1|S<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a]S[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,2|H<1>}	105.6190	0.281	2	105.6190	0.079	2	105.2633	0.419	3	105.2633	0.419	3	105.2633	0.419	3	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a,6]	3:3:	2:2:3:	3:4:2:	C[5a,6]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(C[6a]C[6a]2)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a])	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a]){1|C<3>,1|O<1>,3|C<4>}	104.0250	0.144	2	104.0250	0.021	2	104.0250	0.021	2	104.0250	0.021	2	105.6782	2.335	5	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a,6]	3:3:	3:2:3:	3:4:2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:O[5a]-2:C[6a]-3:	C[5a,6,6]-3:C[6]-4:O[5a]-2:	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]C[6a])	C[5a](C[5a,6]C[5a,6,6]C[5,6])(O[5a]C[5a,6])(C[6a]C[6a]2)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(O[5a]C[5a])	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]C[6a]){2|C<3>,2|H<1>,3|C<4>}	C[5a](C[5a,6]C[5a,6,6]C[5,6])(O[5a]C[5a,6])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(O[5a]C[5a]){1|C<3>,3|C<4>,3|H<1>}	107.0370	0.000	1	107.0370	0.000	1	106.9610	0.012	2	106.7803	0.104	3	105.6782	2.335	5	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a,6]	3:3:	3:2:3:	3:4:2:	C[5a,6]-3:C[5a]-3:	C[5a,6]-3:O[5a]-2:C[6a]-3:	C[5a,6,6]-3:C[6]-4:O[5a]-2:	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]C[6a])	C[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6])(C[6a]C[6a]2)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(O[5a]C[5a])	O[5a](C[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]C[6a]){2|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6]C[5a,6,6]C[6])(O[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,3|H<1>,5|C<3>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6]HH)(O[5a]C[5a]){2|C<4>,4|C<3>}	106.8850	0.000	1	106.8850	0.000	1	106.9610	0.012	2	106.7803	0.104	3	105.6782	2.335	5	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a,6]	3:3:	3:2:3:	3:4:2:	C[5a,6]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a,6]-3:C[6]-4:O[5a]-2:	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(C[6a]C[6a]2)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a])	O[5a](C[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6]C)(O[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(O[5a]C[5a]){2|C<4>,4|C<3>}	106.4190	0.000	1	106.4190	0.000	1	106.4190	0.000	1	106.7803	0.104	3	105.6782	2.335	5	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[5a]C[5a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[5a]C[5a]2){1|S<2>,2|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	103.9930	0.000	1	103.9930	0.000	1	103.9930	0.000	1	103.6381	0.554	10	104.9248	1.441	33	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(O[5a]C[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,4|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(O[5a]C[5a]){2|C<3>,2|H<1>}	104.1720	0.000	1	104.1720	0.000	1	103.8001	0.275	8	103.6381	0.554	10	104.9248	1.441	33	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	103.8453	0.445	3	103.7470	0.294	7	103.8001	0.275	8	103.6381	0.554	10	104.9248	1.441	33	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	104.1195	0.343	2	103.7470	0.294	7	103.8001	0.275	8	103.6381	0.554	10	104.9248	1.441	33	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	103.2270	0.638	2	103.7470	0.294	7	103.8001	0.275	8	103.6381	0.554	10	104.9248	1.441	33	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a,6a]	3:3:	2:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:N[5]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(N[5]C[5]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N[5]){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(N[5]C[5]2){1|Pd<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	101.9870	0.000	1	101.9870	0.000	1	101.9870	0.000	1	103.6381	0.554	10	104.9248	1.441	33	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[6a,6a])(O[5a]C[5a])	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[6a]C[6a,6a])(O[5a]C[5a]){1|H<1>,3|C<3>}	105.4930	0.000	1	105.4930	0.000	1	105.4930	0.000	1	105.4930	0.000	1	104.9248	1.441	33	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C[5]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]C[5]N[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]C[5]N[5]){2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	105.5120	0.000	1	105.5120	0.000	1	105.4265	0.015	2	105.5196	0.483	9	104.9248	1.441	33	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C[5]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]N[5]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]N[5]2){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	105.3410	0.000	1	105.3410	0.000	1	105.4265	0.015	2	105.5196	0.483	9	104.9248	1.441	33	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C[6]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6]C[6]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6]){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6]C[6]2){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	106.0350	0.000	1	106.0350	0.000	1	106.0350	0.000	1	105.5196	0.483	9	104.9248	1.441	33	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]B[5,5])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|B<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]B[5,5])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|N<4>,2|H<1>,2|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|B<4>,2|C<3>,2|H<1>}	105.9330	0.000	1	105.9330	0.000	1	105.3748	0.827	5	105.5196	0.483	9	104.9248	1.441	33	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,5|C<3>}	105.8260	0.000	1	105.8260	0.000	1	105.3748	0.827	5	105.5196	0.483	9	104.9248	1.441	33	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	104.4040	0.197	2	105.0383	1.226	3	105.3748	0.827	5	105.5196	0.483	9	104.9248	1.441	33	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	106.3070	0.000	1	105.0383	1.226	3	105.3748	0.827	5	105.5196	0.483	9	104.9248	1.441	33	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C[6a]-3:	C[5a,6a]-3:N[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]C)(O[5a]C[5a])	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]C)(O[5a]C[5a]){1|O<1>,4|C<3>}	105.9140	0.000	1	105.9140	0.000	1	105.9140	0.000	1	105.5196	0.483	9	104.9248	1.441	33	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a,6a]	3:3:	3:2:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C[5]-4:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[5]C[5]2C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5]){1|H<1>,3|C<3>,3|C<4>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(C[5]C[5]2C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	106.0645	0.422	2	106.0645	0.178	2	105.9283	0.145	3	105.9283	0.145	3	104.9248	1.441	33	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a,6a]	3:3:	3:2:4:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C[5]-4:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]C[5]2C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5]){2|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]C[5]2C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	105.6560	0.000	1	105.6560	0.000	1	105.9283	0.145	3	105.9283	0.145	3	104.9248	1.441	33	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a,6a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]S[5a])(O[5a]C[5a,6a]){1|C<4>,1|S<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	106.4020	0.000	1	106.4020	0.000	1	105.7703	0.375	3	105.8577	0.224	6	104.9248	1.441	33	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a,6a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a]){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	105.7300	0.000	1	105.7300	0.000	1	105.7703	0.375	3	105.8577	0.224	6	104.9248	1.441	33	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a,6a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a]){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	105.1790	0.000	1	105.1790	0.000	1	105.7703	0.375	3	105.8577	0.224	6	104.9248	1.441	33	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a,6a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5a]-3:C[6]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])	C[5a](C[5a]C[5a,6a]H)(C[6]C[5,6]C[6])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(C[6]C[5,6]C[6])(O[5a]C[5a,6a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	106.2370	0.000	1	106.2370	0.000	1	106.2370	0.000	1	105.8577	0.224	6	104.9248	1.441	33	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a,6a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a]){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	105.4860	0.000	1	105.4860	0.000	1	105.7990	0.196	2	105.8577	0.224	6	104.9248	1.441	33	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a,6a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a](C[6a]C[6,6a]C[6a])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	106.1120	0.000	1	106.1120	0.000	1	105.7990	0.196	2	105.8577	0.224	6	104.9248	1.441	33	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a,6a]	3:3:	4:2:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:	C[5]-4:N[5a]-2:O[5a]-2:	C[5a,6a]-3:N[6a]-2:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C[5])	C[5a](C[5]C[5]O[5]H)(N[5a]C[5a,6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a])(O[5a]C[5a])	O[5a](C[5a,6a]C[5a,6a]N[6a])(C[5a]N[5a]C[5]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5]C[5]O[5]H)(N[5a]C[5a,6a])(O[5a]C[5a,6a]){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a])(O[5a]C[5a]){1|N<2>,1|N<3>,2|C<4>}	102.6290	0.000	1	102.6290	0.000	1	102.6290	0.000	1	102.6290	0.000	1	104.9248	1.441	33	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a,6a]	3:3:	4:2:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[5,5]-4:N[5a]-2:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,5]N[5a])	C[5a](C[5,5]C[5,6a]N[5,5]C[5])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5,5]N[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5,5]C[5,6a]N[5,5]C[5])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){2|C<4>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	104.0890	0.000	1	104.0890	0.000	1	104.0890	0.000	1	104.0890	0.000	1	104.9248	1.441	33	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a,6a]	3:3:	4:3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:	C[6]-4:C[5a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6])	C[5a](C[6]C[5,6]C[5a]C[6])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a])	O[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6]){2|C<4>,2|H<1>,3|C<3>}	C[5a](C[6]C[5,6]C[5a]C[6])(C[5a]C[5a,6a]H)(O[5a]C[5a,6a]){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	105.6605	0.698	2	105.6605	0.487	2	105.6605	0.487	2	105.6605	0.487	2	104.9248	1.441	33	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	2:2:2:	2:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:N-2:	N[5a]-2:O[5a]-2:H-1:	O[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	C[5a](N[5a]N[5a])(O[5a]C[5a])(NC[6a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(H)	O[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	C[5a](N[5a]N[5a])(O[5a]C[5a])(NC[6a]){1|H<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(H){1|N<2>}	102.0200	0.000	1	102.0200	0.000	1	102.0200	0.000	1	102.0200	0.000	1	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	2:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:S-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC[6a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHO)	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC[6a]){1|C<4>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHO){1|S<2>}	101.2890	0.397	2	101.2890	0.158	2	101.2890	0.158	2	101.2890	0.158	2	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	2:2:3:	2:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C-3:	O[5a]-2:S[5a]-2:O-1:	O[5a](C[5a]N[5a]C)(C[5a]S[5a]O)	C[5a](N[5a]S[5a])(O[5a]C[5a])(CCH)	C[5a](O[5a]C[5a])(S[5a]N[5a])(O)	O[5a](C[5a]N[5a]C)(C[5a]S[5a]O)	C[5a](N[5a]S[5a])(O[5a]C[5a])(CCH){1|O<1>}	C[5a](O[5a]C[5a])(S[5a]N[5a])(O){1|C<3>}	111.4240	0.000	1	111.4240	0.000	1	111.4240	0.000	1	108.0100	23.311	2	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	2:2:3:	2:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:N-3:	N[5a]-2:O[5a]-2:H-1:	O[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	C[5a](N[5a]N[5a])(O[5a]C[5a])(NC[6a]H)	C[5a](N[5a]N[5a])(O[5a]C[5a])(H)	O[5a](C[5a]N[5a]H)(C[5a]N[5a]N)	C[5a](N[5a]N[5a])(O[5a]C[5a])(NC[6a]H){1|H<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(H){1|N<3>}	104.5960	0.000	1	104.5960	0.000	1	104.5960	0.000	1	108.0100	23.311	2	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	2:2:3:	2:2:2:	C[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C[6]-3:	N[5a]-2:O[5a]-2:S-2:	O[5a](C[5a]N[5a]C[6])(C[5a]N[5a]S)	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2)	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC)	O[5a](C[5a]N[5a]C[6])(C[5a]N[5a]S){2|C<3>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2){1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC){1|C<3>}	101.8095	0.265	2	101.8095	0.070	2	101.8095	0.070	2	101.8095	0.070	2	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	2:2:3:	2:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C-3:	N[5a]-2:O[5a]-2:N-3:	O[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CC[6a]N)	C[5a](N[5a]N[5a])(O[5a]C[5a])(NC[6a]H)	O[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CC[6a]N){1|N<3>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(NC[6a]H){1|C<3>}	102.0810	0.000	1	102.0810	0.000	1	103.0480	1.373	3	102.4301	0.377	18	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	2:2:3:	2:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C-3:	N[5a]-2:O[5a]-2:N-3:	O[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CNN)	C[5a](N[5a]N[5a])(O[5a]C[5a])(NHH)	O[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CNN){1|N<3>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(NHH){1|C<3>}	103.5315	1.159	2	103.5315	1.343	2	103.0480	1.373	3	102.4301	0.377	18	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	2:2:3:	2:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C[6]-3:	N[5a]-2:O[5a]-2:C[6]-3:	O[5a](C[5a]N[5a]C[6])2	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2)	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2)	O[5a](C[5a]N[5a]C[6])2{4|C<3>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	102.3324	0.406	14	102.3324	0.165	14	102.3324	0.165	14	102.4301	0.377	18	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	2:2:3:	2:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:N-3:	N[5a]-2:O[5a]-2:C-3:	O[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]N[5a])(O[5a]C[5a])(NC[6a]H)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CNO)	O[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]N[5a])(O[5a]C[5a])(NC[6a]H){1|C<3>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(CNO){1|N<3>}	101.9430	0.000	1	101.9430	0.000	1	101.9430	0.000	1	102.4301	0.377	18	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:N-3:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(O[5a]C[5a])(NHH)	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(COO)	O[5a](C[5a]C[5a]C)(C[5a]N[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(NHH){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(COO){1|N<3>}	103.5360	0.000	1	103.5360	0.000	1	103.5360	0.000	1	103.5360	0.000	1	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CCH)	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CCH){1|C<3>,1|C<4>}	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CH3){1|C<3>}	105.1810	0.000	1	105.1810	0.000	1	105.1810	0.000	1	105.1810	0.000	1	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	2:2:3:	3:3:2:	C[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C[6]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])	C[5a](N[5a]C[5a])(O[5a]C[5a])(C[6]C[6]2)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6]){1|C<4>,4|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(C[6]C[6]2){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,3|C<3>}	105.6490	0.000	1	105.6490	0.000	1	105.6490	0.000	1	105.6490	0.000	1	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	2:2:4:	2:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C-4:	N[5a]-2:O[5a]-2:S-1:	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CC[6a]HH)	C[5a](N[5a]N[5a])(O[5a]C[5a])(S)	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CC[6a]HH){1|S<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(S){1|C<4>}	106.3330	0.000	1	106.3330	0.000	1	106.3330	0.000	1	106.3330	0.000	1	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	2:2:4:	2:2:2:	C[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C-4:	N[5a]-2:O[5a]-2:S-2:	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHN)	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC)	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHN){1|S<2>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC){1|C<4>}	102.2765	0.495	4	102.2765	0.245	4	102.1826	0.228	5	102.1826	0.228	5	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	2:2:4:	2:2:2:	C[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C-4:	N[5a]-2:O[5a]-2:S-2:	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CN[5a]HH)	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC)	O[5a](C[5a]N[5a]C)(C[5a]N[5a]S)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CN[5a]HH){1|S<2>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC){1|C<4>}	101.8070	0.000	1	101.8070	0.000	1	102.1826	0.228	5	102.1826	0.228	5	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	2:2:4:	2:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C-4:	N[5a]-2:O[5a]-2:C-3:	O[5a](C[5a]N[5a]C)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCCH)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCH)	O[5a](C[5a]N[5a]C)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCCH){1|C<3>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCH){1|C<4>}	102.4845	0.694	2	102.4845	0.481	2	102.3972	0.137	6	102.3886	0.115	7	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	2:2:4:	2:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C-4:	N[5a]-2:O[5a]-2:C-3:	O[5a](C[5a]N[5a]C)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CNO)	O[5a](C[5a]N[5a]C)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3){1|C<3>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(CNO){1|C<4>}	102.3535	0.246	4	102.3535	0.060	4	102.3972	0.137	6	102.3886	0.115	7	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	2:2:4:	2:2:3:	C[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C-4:	N[5a]-2:O[5a]-2:N-3:	O[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHN)	C[5a](N[5a]N[5a])(O[5a]C[5a])(NHH)	O[5a](C[5a]N[5a]C)(C[5a]N[5a]N)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHN){1|N<3>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(NHH){1|C<4>}	102.3370	0.000	1	102.3370	0.000	1	102.3370	0.000	1	102.3886	0.115	7	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	2:2:4:	2:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C-4:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]N[5a]C)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCCH)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHH)	O[5a](C[5a]N[5a]C)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCCH){1|C<4>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHH){1|C<4>}	103.0760	0.000	1	103.0760	0.000	1	102.5750	0.502	2	102.5750	0.502	2	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	2:2:4:	2:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C-4:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]N[5a]C)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHS)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHS)	O[5a](C[5a]N[5a]C)2	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHS){1|C<4>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHS){1|C<4>}	102.0740	0.000	1	102.0740	0.000	1	102.5750	0.502	2	102.5750	0.502	2	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(H){1|C<4>}	104.4390	0.000	1	104.2900	0.044	2	104.2900	0.044	2	104.2900	0.044	2	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(H){1|C<4>}	104.1410	0.000	1	104.2900	0.044	2	104.2900	0.044	2	104.2900	0.044	2	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	2:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CC[6a]HH)	C[5a](C[5a]N[5a]S)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|S<2>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CC[6a]HH){1|C<4>,1|S<2>}	C[5a](C[5a]N[5a]S)(O[5a]C[5a])(CH3){1|C<4>}	104.6210	0.000	1	104.6210	0.000	1	104.6210	0.000	1	104.6210	0.000	1	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	N[5a]-2:O[5a]-2:C-3:	O[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]C[6])(O[5a]C[5a])(H)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CCC)	O[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<4>}	C[5a](C[5a]N[5a]C[6])(O[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CCC){1|C<4>,1|H<1>}	104.8430	0.000	1	104.8430	0.000	1	104.8430	0.000	1	104.8430	0.000	1	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(H)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CF3)	O[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(H){1|C<4>,2|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CF3){1|C<3>,1|H<1>}	103.1900	0.000	1	103.1900	0.000	1	103.9927	0.576	3	105.1660	1.926	6	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]C[5a]H)(C[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(H)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]H)(C[5a]N[5a]C){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(H){1|C<4>,2|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	104.3940	0.431	2	104.3940	0.186	2	103.9927	0.576	3	105.1660	1.926	6	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	2:2:4:	C[5a]-3:C[5a]-3:	N[5a]-3:O[5a]-2:O-1:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]N[5a]C)(C[5a]N[5a]O)	C[5a](N[5a]C[6a]N[5a])(O[5a]C[5a])(O)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CC3)	O[5a](C[5a]N[5a]C)(C[5a]N[5a]O){1|C<3>}	C[5a](N[5a]C[6a]N[5a])(O[5a]C[5a])(O){1|C<4>,2|C<3>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(CC3){1|C<3>,1|O<1>}	106.5250	0.107	2	106.5250	0.012	2	106.3393	0.109	3	105.1660	1.926	6	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	2:2:4:	C[5a]-3:C[5a]-3:	N[5a]-3:O[5a]-2:O-1:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]N[5a]C)(C[5a]N[5a]O)	C[5a](N[5a]C[6a]N[5a])(O[5a]C[5a])(O)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3)	O[5a](C[5a]N[5a]C)(C[5a]N[5a]O){1|C<3>}	C[5a](N[5a]C[6a]N[5a])(O[5a]C[5a])(O){1|C<4>,2|C<3>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3){1|C<3>,1|O<1>}	105.9680	0.000	1	105.9680	0.000	1	106.3393	0.109	3	105.1660	1.926	6	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:O[5a]-2:H-1:	C[5a,6]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a,6]H)2	C[5a](C[5a,6]C[5a,6]C[5,6])(O[5a]C[5a])(H)	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a,6]H)2{1|C<3>,1|C<4>}	C[5a](C[5a,6]C[5a,6]C[5,6])(O[5a]C[5a])(H){1|C<3>,1|H<1>,2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(H){1|C<3>,1|C<4>,3|H<1>}	106.5670	0.000	1	106.5670	0.000	1	106.5670	0.000	1	106.1636	2.173	229	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:O[5a]-2:H-1:	C[5a,6a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a,6a]H)2	C[5a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a])(H)	C[5a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a,6a]H)2{2|C<3>}	C[5a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a])(H){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]2)(O[5a]C[5a])(H){1|H<1>,3|C<3>}	106.5405	0.183	2	106.5405	0.034	2	106.9783	0.592	3	106.1636	2.173	229	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:O[5a]-2:H-1:	C[5a,6a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a,6a]H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a,6a]H)2{2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(H){1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(H){1|H<1>,1|O<2>,2|C<3>}	107.8540	0.000	1	107.8540	0.000	1	106.9783	0.592	3	106.1636	2.173	229	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:O[5a]-2:O-1:	C[5a,6a]-3:O[5a]-2:O-1:	O[5a](C[5a]C[5a,6a]O)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(O)	O[5a](C[5a]C[5a,6a]O)2{2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(O){1|H<1>,1|O<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(O){1|H<1>,1|O<1>,2|C<3>}	109.9148	0.371	5	109.9148	0.138	5	109.9148	0.138	5	106.1636	2.173	229	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5,6]C[5a])(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5,6]C[5a])(O[5a]C[5a])(H){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	105.8740	0.000	1	105.9490	0.011	2	106.0655	1.913	220	106.1636	2.173	229	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5,6]C[5a])(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5,6]C[5a])(O[5a]C[5a])(H){1|C<4>,2|H<1>,2|O<2>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.0240	0.000	1	105.9490	0.011	2	106.0655	1.913	220	106.1636	2.173	229	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2{2|C<3>}	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	106.0680	0.000	1	106.0915	0.235	14	106.0655	1.913	220	106.1636	2.173	229	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2{2|C<3>}	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(H){1|H<1>,3|C<3>}	106.0933	0.504	13	106.0915	0.235	14	106.0655	1.913	220	106.1636	2.173	229	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]Br)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2{1|Br<1>,1|C<3>}	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(H){1|Br<1>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]Br)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.6888	0.722	6	106.6888	0.521	6	106.0655	1.913	220	106.1636	2.173	229	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(H){1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.2920	0.601	2	106.2839	0.072	8	106.0655	1.913	220	106.1636	2.173	229	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(H){1|N<2>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.3050	0.000	1	106.2839	0.072	8	106.0655	1.913	220	106.1636	2.173	229	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.2764	0.189	5	106.2839	0.072	8	106.0655	1.913	220	106.1636	2.173	229	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]I)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2{1|C<3>,1|I<1>}	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(H){1|H<1>,1|I<1>,2|C<3>}	C[5a](C[5a]C[5a]I)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.4825	0.203	2	106.4825	0.041	2	106.0655	1.913	220	106.1636	2.173	229	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2{2|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	107.0100	0.000	1	105.6863	0.724	6	106.0655	1.913	220	106.1636	2.173	229	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2{2|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	105.4216	0.616	5	105.6863	0.724	6	106.0655	1.913	220	106.1636	2.173	229	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2{1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.0910	0.000	1	106.0910	0.000	1	106.0655	1.913	220	106.1636	2.173	229	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	104.3860	0.000	1	106.1098	2.478	45	106.0655	1.913	220	106.1636	2.173	229	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H){1|C<3>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	105.7510	0.000	1	106.1098	2.478	45	106.0655	1.913	220	106.1636	2.173	229	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.5220	0.000	1	106.1098	2.478	45	106.0655	1.913	220	106.1636	2.173	229	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	105.8393	0.400	6	106.1098	2.478	45	106.0655	1.913	220	106.1636	2.173	229	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H){1|C<3>,1|O<2>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.0305	0.136	2	106.1098	2.478	45	106.0655	1.913	220	106.1636	2.173	229	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H){1|C<4>,1|N<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.1685	0.006	2	106.1098	2.478	45	106.0655	1.913	220	106.1636	2.173	229	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H){1|C<4>,1|O<2>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.8034	2.399	12	106.1098	2.478	45	106.0655	1.913	220	106.1636	2.173	229	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H){2|C<4>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	105.8604	1.341	20	106.1098	2.478	45	106.0655	1.913	220	106.1636	2.173	229	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(H){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.0560	0.000	1	106.1664	1.048	79	106.0655	1.913	220	106.1636	2.173	229	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(H){1|C<3>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.2027	1.165	6	106.1664	1.048	79	106.0655	1.913	220	106.1636	2.173	229	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	105.7590	0.000	1	106.1664	1.048	79	106.0655	1.913	220	106.1636	2.173	229	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(H){1|C<4>,1|N<4>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	104.1715	2.333	2	106.1664	1.048	79	106.0655	1.913	220	106.1636	2.173	229	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(H){1|C<4>,1|O<2>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.2406	0.950	68	106.1664	1.048	79	106.0655	1.913	220	106.1636	2.173	229	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(H){2|C<4>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	105.4140	0.000	1	106.1664	1.048	79	106.0655	1.913	220	106.1636	2.173	229	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2{1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	105.4220	0.000	1	105.4220	0.000	1	106.0655	1.913	220	106.1636	2.173	229	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){2|H<1>}	106.2211	0.661	23	106.0421	0.512	48	106.0655	1.913	220	106.1636	2.173	229	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){2|H<1>}	105.8774	0.737	25	106.0421	0.512	48	106.0655	1.913	220	106.1636	2.173	229	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){2|H<1>}	104.2147	6.418	5	104.2147	41.195	5	106.0655	1.913	220	106.1636	2.173	229	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]N)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2{1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N)(O[5a]C[5a])(H){2|H<1>}	106.5910	0.000	1	106.5910	0.000	1	106.0655	1.913	220	106.1636	2.173	229	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]Ni)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)2{1|Ni<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|Ni<4>,1|H<1>}	C[5a](C[5a]C[5a]Ni)(O[5a]C[5a])(H){2|H<1>}	104.2225	0.093	2	104.2225	0.009	2	106.0655	1.913	220	106.1636	2.173	229	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-2:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN){2|H<1>}	105.2220	0.000	1	105.2220	0.000	1	105.2220	0.000	1	104.3135	1.651	2	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:Se-2:	O[5a](C[5a]C[5a]Se)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(SePd)	O[5a](C[5a]C[5a]Se)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|Se<2>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(SePd){2|H<1>}	103.4050	0.000	1	103.4050	0.000	1	103.4050	0.000	1	104.3135	1.651	2	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a,6]-3:O[5a]-2:H-1:	C[5a,6]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)	C[5a](C[5a,6]C[5a,6]C[5,6])(O[5a]C[5a])(H)	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CCO)	O[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H){2|C<4>}	C[5a](C[5a,6]C[5a,6]C[5,6])(O[5a]C[5a])(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CCO){2|C<4>,3|H<1>}	106.6010	0.000	2	106.6010	0.000	2	106.3923	0.131	3	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a,6]-3:O[5a]-2:H-1:	C[5a,6]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(H)	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CC[6]O)	O[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H){2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(H){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CC[6]O){2|C<4>,3|H<1>}	105.9750	0.000	1	105.9750	0.000	1	106.3923	0.131	3	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:As-3:	O[5a](C[5a]C[5a]As)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(AsC[5a]2)	O[5a](C[5a]C[5a]As)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|As<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(AsC[5a]2){2|H<1>}	106.3630	0.165	2	106.3630	0.027	2	106.3630	0.027	2	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:B-3:	O[5a](C[5a]C[5a]B)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(BOO)	O[5a](C[5a]C[5a]B)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|B<3>,1|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(BOO){2|H<1>}	107.4930	0.000	1	107.4930	0.000	1	107.4930	0.000	1	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCN)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCN){1|C<4>,1|H<1>}	105.5070	0.578	4	105.5070	0.334	4	106.1056	0.375	338	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CN[5]O)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CN[5]O){2|H<1>}	105.8670	0.000	1	105.8670	0.000	1	106.1056	0.375	338	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCC)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCC){2|H<1>}	106.5137	0.426	3	106.5137	0.181	3	106.1056	0.375	338	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){2|H<1>}	106.1199	0.472	63	106.1199	0.223	63	106.1056	0.375	338	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCN)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCN){2|H<1>}	106.4572	0.418	11	106.4572	0.175	11	106.1056	0.375	338	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO){2|H<1>}	106.1771	0.825	43	106.1771	0.681	43	106.1056	0.375	338	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]C)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]C){2|H<1>}	106.2605	0.094	2	106.2605	0.009	2	106.1056	0.375	338	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H){2|H<1>}	106.6429	0.326	7	106.6429	0.106	7	106.1056	0.375	338	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]N)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]N){2|H<1>}	105.8549	0.297	7	105.8549	0.088	7	106.1056	0.375	338	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]O)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]O){2|H<1>}	106.3440	0.000	1	106.3440	0.000	1	106.1056	0.375	338	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]C)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]C){2|H<1>}	106.6232	0.504	6	106.6232	0.254	6	106.1056	0.375	338	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]H){2|H<1>}	105.0910	0.000	1	105.0910	0.000	1	106.1056	0.375	338	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]O)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]O){2|H<1>}	106.0040	0.352	4	106.0040	0.124	4	106.1056	0.375	338	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]H){2|H<1>}	106.5696	0.645	13	106.5696	0.416	13	106.1056	0.375	338	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]O)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]O){2|H<1>}	105.9550	0.000	1	105.9550	0.000	1	106.1056	0.375	338	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]O)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]O){2|H<1>}	106.1515	0.738	2	106.1515	0.544	2	106.1056	0.375	338	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){2|H<1>}	105.8166	0.604	52	105.8166	0.364	52	106.1056	0.375	338	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHO){2|H<1>}	106.0196	0.241	5	106.0196	0.058	5	106.1056	0.375	338	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNO){2|H<1>}	106.0706	0.538	81	106.0706	0.289	81	106.1056	0.375	338	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNW)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNW){2|H<1>}	106.3883	1.082	3	106.3883	1.170	3	106.1056	0.375	338	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]C)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]C){2|H<1>}	106.6670	0.000	2	106.6670	0.000	2	106.1056	0.375	338	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]O)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]O){2|H<1>}	105.9982	0.524	5	105.9982	0.275	5	106.1056	0.375	338	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6]H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6]H){2|H<1>}	106.8180	0.000	1	106.8180	0.000	1	106.1056	0.375	338	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6]O)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6]O){2|H<1>}	106.0330	0.000	1	106.0330	0.000	1	106.1056	0.375	338	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO){2|H<1>}	106.0385	0.569	15	106.0385	0.324	15	106.1056	0.375	338	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COS)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COS){2|H<1>}	105.8305	0.187	2	105.8305	0.035	2	106.1056	0.375	338	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COW)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COW){2|H<1>}	108.0910	0.000	1	108.0910	0.000	1	106.1056	0.375	338	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CSeO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CSeO){2|H<1>}	105.2450	0.000	1	105.2450	0.000	1	106.1056	0.375	338	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[5a]H)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NSS)	O[5a](C[5a]C[5a]H)(C[5a]C[5a]N){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NSS){2|H<1>}	105.3960	0.000	1	105.3960	0.000	1	105.3960	0.000	1	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:P-3:	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]2)	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|H<1>,1|P<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]2){2|H<1>}	106.2374	0.163	5	106.2374	0.026	5	106.1438	0.074	6	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:P-3:	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PCl2)	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|H<1>,1|P<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PCl2){2|H<1>}	105.6760	0.000	1	105.6760	0.000	1	106.1438	0.074	6	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:Se-3:	O[5a](C[5a]C[5a]Se)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(SePd2)	O[5a](C[5a]C[5a]Se)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|Se<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(SePd2){2|H<1>}	105.9680	0.000	1	105.9680	0.000	1	105.9680	0.000	1	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:O[5a]-2:O-1:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(C[5a]N[5a]O)	C[5a](N[5a]C[5a]C[6])(O[5a]C[5a])(O)	C[5a](C[5a]N[5a]N)(O[5a]C[5a])(CC[6a]H)	O[5a](C[5a]C[5a]C)(C[5a]N[5a]O){1|C<4>,1|N<2>}	C[5a](N[5a]C[5a]C[6])(O[5a]C[5a])(O){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5a](C[5a]N[5a]N)(O[5a]C[5a])(CC[6a]H){1|C<4>,1|O<1>}	108.9480	0.000	1	108.9480	0.000	1	108.7060	0.117	2	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:C[5a]-3:	N[5a]-3:O[5a]-2:O-1:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(C[5a]N[5a]O)	C[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])(O)	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCN)	O[5a](C[5a]C[5a]C)(C[5a]N[5a]O){1|C<3>,1|H<1>}	C[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])(O){1|H<1>,3|C<3>}	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCN){1|C<3>,1|O<1>}	108.4640	0.000	1	108.4640	0.000	1	108.7060	0.117	2	106.1263	0.406	354	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(H){1|O<2>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO){1|C<4>,1|H<1>}	107.3635	1.064	2	107.3635	1.133	2	106.3592	0.615	136	106.3310	0.623	143	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH){2|H<1>}	106.8430	0.072	2	106.8430	0.005	2	106.3592	0.615	136	106.3310	0.623	143	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){2|H<1>}	106.7973	0.566	3	106.7973	0.320	3	106.3592	0.615	136	106.3310	0.623	143	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCCH)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCCH){2|H<1>}	106.5413	0.605	6	106.5413	0.366	6	106.3592	0.615	136	106.3310	0.623	143	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH){2|H<1>}	106.6565	0.151	2	106.6565	0.023	2	106.3592	0.615	136	106.3310	0.623	143	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHN)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHN){2|H<1>}	106.5233	0.157	6	106.5233	0.025	6	106.3592	0.615	136	106.3310	0.623	143	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO){2|H<1>}	106.7934	0.747	11	106.7934	0.559	11	106.3592	0.615	136	106.3310	0.623	143	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHS)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHS){2|H<1>}	107.3720	0.000	1	107.3720	0.000	1	106.3592	0.615	136	106.3310	0.623	143	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]HN)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]HN){2|H<1>}	106.2530	0.057	2	106.2530	0.003	2	106.3592	0.615	136	106.3310	0.623	143	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]HO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]HO){2|H<1>}	106.1875	0.487	2	106.1875	0.237	2	106.3592	0.615	136	106.3310	0.623	143	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]HH)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]HH){2|H<1>}	106.5740	0.226	5	106.5740	0.051	5	106.3592	0.615	136	106.3310	0.623	143	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){2|H<1>}	106.3780	0.000	1	106.3780	0.000	1	106.3592	0.615	136	106.3310	0.623	143	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){2|H<1>}	106.2893	0.839	77	106.2893	0.704	77	106.3592	0.615	136	106.3310	0.623	143	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO){2|H<1>}	106.0795	0.002	2	106.0795	0.000	2	106.3592	0.615	136	106.3310	0.623	143	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHS)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHS){2|H<1>}	105.8357	0.303	3	105.8357	0.092	3	106.3592	0.615	136	106.3310	0.623	143	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHOP)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHOP){2|H<1>}	105.9440	0.000	1	105.9440	0.000	1	106.3592	0.615	136	106.3310	0.623	143	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNOV)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNOV){2|H<1>}	105.4040	0.000	1	105.4040	0.000	1	106.3592	0.615	136	106.3310	0.623	143	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]CH)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]CH){2|H<1>}	106.2860	0.000	1	106.2860	0.000	1	106.3592	0.615	136	106.3310	0.623	143	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]HH)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]HH){2|H<1>}	106.0980	0.561	4	106.0980	0.314	4	106.3592	0.615	136	106.3310	0.623	143	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6]CH)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6]CH){2|H<1>}	106.1900	0.000	1	106.1900	0.000	1	106.3592	0.615	136	106.3310	0.623	143	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6]HH)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6]HH){2|H<1>}	105.3217	1.674	3	105.3217	2.804	3	106.3592	0.615	136	106.3310	0.623	143	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:P-4:	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]2C)	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|H<1>,1|P<4>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]2C){2|H<1>}	105.2040	0.648	3	105.2040	0.420	3	105.7826	0.526	7	106.3310	0.623	143	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:P-4:	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]2O)	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|H<1>,1|P<4>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]2O){2|H<1>}	106.0217	0.228	3	106.0217	0.052	3	105.7826	0.526	7	106.3310	0.623	143	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:H-1:	C[5a]-3:O[5a]-2:P-4:	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PRu3)	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|H<1>,1|P<4>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PRu3){2|H<1>}	106.8010	0.000	1	106.8010	0.000	1	105.7826	0.526	7	106.3310	0.623	143	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:H-1:	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|C<3>,1|N<2>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(H){1|C<3>}	102.1640	0.000	1	102.0360	0.033	2	102.0360	0.033	2	105.9109	22.015	7	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:H-1:	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(H){1|C<3>}	101.9080	0.000	1	102.0360	0.033	2	102.0360	0.033	2	105.9109	22.015	7	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	O[5a]-2:S[5a]-2:O-1:	O[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]O)	C[5a](C[5a]C[5a]2)(N[5a]S[5a])(O[5a]C[5a])	C[5a](O[5a]C[5a])(S[5a]N[5a])(O)	O[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]O){2|C<3>}	C[5a](C[5a]C[5a]2)(N[5a]S[5a])(O[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|S<2>}	C[5a](O[5a]C[5a])(S[5a]N[5a])(O){1|C<3>}	111.2680	0.000	1	111.2680	0.000	1	110.9097	0.396	3	105.9109	22.015	7	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	O[5a]-2:S[5a]-2:O-1:	O[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]O)	C[5a](C[5a]C[5a]S[5a])(N[5a]S[5a])(O[5a]C[5a])	C[5a](O[5a]C[5a])(S[5a]N[5a])(O)	O[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]O){1|C<3>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(N[5a]S[5a])(O[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C[5a](O[5a]C[5a])(S[5a]N[5a])(O){1|C<3>}	110.7305	0.774	2	110.7305	0.600	2	110.9097	0.396	3	105.9109	22.015	7	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:H-1:	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(H)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H){2|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(H){1|C<3>}	102.3650	0.000	1	102.3650	0.000	1	102.2875	0.012	2	105.9109	22.015	7	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:H-1:	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(H)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]H){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(H){1|C<3>}	102.2100	0.000	1	102.2100	0.000	1	102.2875	0.012	2	105.9109	22.015	7	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:N-2:	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(NN)	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|N<2>,1|O<2>}	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a])(O[5a]C[5a]){1|C<3>,2|N<2>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(NN){1|C<3>}	102.3790	0.000	1	102.3790	0.000	1	102.3790	0.000	1	102.2726	0.068	15	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:S-2:	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC){1|C<3>}	102.5670	0.000	1	102.3191	0.062	12	102.2650	0.072	14	102.2726	0.068	15	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:S-2:	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC){1|C<3>}	102.2830	0.000	1	102.3191	0.062	12	102.2650	0.072	14	102.2726	0.068	15	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:S-2:	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC){1|C<3>}	102.2979	0.262	10	102.3191	0.062	12	102.2650	0.072	14	102.2726	0.068	15	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:S-2:	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC[6])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC[6]){1|C<3>}	101.9950	0.000	1	101.9950	0.000	1	102.2650	0.072	14	102.2726	0.068	15	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:S-2:	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]S){1|C<3>,1|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(SC){1|C<3>}	101.8860	0.000	1	101.8860	0.000	1	102.2650	0.072	14	102.2726	0.068	15	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:C-3:	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C){1|N<2>,1|O<2>}	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a])(O[5a]C[5a]){1|N<2>,2|C<3>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCH){1|C<3>}	101.4460	0.000	1	101.4460	0.000	1	101.5312	0.023	4	102.1953	0.400	32	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:C-3:	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CNN)	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C){1|N<2>,1|O<2>}	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a])(O[5a]C[5a]){1|N<2>,2|C<3>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(CNN){1|C<3>}	101.5597	0.173	3	101.5597	0.030	3	101.5312	0.023	4	102.1953	0.400	32	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:N-3:	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(NC[6a]H)	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|C<3>,1|N<2>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(NC[6a]H){1|C<3>}	101.9860	0.000	1	101.9860	0.000	1	102.0575	0.027	4	102.1953	0.400	32	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:N-3:	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(NHH)	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|C<3>,1|N<2>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<2>,2|N<3>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(NHH){1|C<3>}	102.2580	0.000	1	102.0813	0.038	3	102.0575	0.027	4	102.1953	0.400	32	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:N-3:	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(NHH)	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|C<3>,1|N<2>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a]){1|N<2>,1|O<2>,2|N<3>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(NHH){1|C<3>}	101.8740	0.000	1	102.0813	0.038	3	102.0575	0.027	4	102.1953	0.400	32	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:N-3:	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(NHH)	O[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]N){1|C<3>,1|N<2>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a]){1|N<3>,1|O<2>,2|N<2>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(NHH){1|C<3>}	102.1120	0.000	1	102.0813	0.038	3	102.0575	0.027	4	102.1953	0.400	32	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:C-3:	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CNO)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(CNO){1|C<3>}	102.5060	0.000	1	102.5060	0.000	1	102.5060	0.000	1	102.1953	0.400	32	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:C[6]-3:	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2){1|N<3>,2|C<3>,2|H<1>}	102.6177	0.219	3	102.2397	0.498	15	102.2397	0.498	15	102.1953	0.400	32	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:C[6]-3:	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	102.1452	0.759	12	102.2397	0.498	15	102.2397	0.498	15	102.1953	0.400	32	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:N-3:	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(NCH)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(NCH){1|C<3>}	101.5245	0.019	2	101.5245	0.000	2	102.4742	0.386	8	102.1953	0.400	32	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:N-3:	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(NHH)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(NHH){1|C<3>}	102.7510	0.492	2	102.8210	0.067	5	102.4742	0.386	8	102.1953	0.400	32	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:N-3:	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(NHH)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(NHH){1|C<3>}	102.8677	0.065	3	102.8210	0.067	5	102.4742	0.386	8	102.1953	0.400	32	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:N-3:	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(NCH)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]N){1|C<3>,1|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(NCH){1|C<3>}	102.6400	0.000	1	102.6400	0.000	1	102.4742	0.386	8	102.1953	0.400	32	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CC3)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(CC3){1|C<3>}	102.5195	0.084	2	102.5195	0.007	2	102.7134	0.081	21	102.7134	0.081	21	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCCH)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCCH){1|C<3>}	102.8720	0.000	1	102.8720	0.000	1	102.7134	0.081	21	102.7134	0.081	21	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHH)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHH){1|C<3>}	103.2470	0.013	2	103.2470	0.000	2	102.7134	0.081	21	102.7134	0.081	21	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3){1|C<3>}	103.0930	0.075	2	102.7643	0.059	8	102.7134	0.081	21	102.7134	0.081	21	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3){1|C<3>}	102.7830	0.000	1	102.7643	0.059	8	102.7134	0.081	21	102.7134	0.081	21	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3){1|C<3>}	102.6550	0.169	4	102.7643	0.059	8	102.7134	0.081	21	102.7134	0.081	21	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3){1|C<3>}	102.5250	0.000	1	102.7643	0.059	8	102.7134	0.081	21	102.7134	0.081	21	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHN)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHN){1|C<3>}	102.5620	0.000	1	102.5620	0.000	1	102.7134	0.081	21	102.7134	0.081	21	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHO)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHO){1|C<3>}	102.3580	0.000	1	102.4810	0.092	3	102.7134	0.081	21	102.7134	0.081	21	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHO)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(CHHO){1|C<3>}	102.5425	0.401	2	102.4810	0.092	3	102.7134	0.081	21	102.7134	0.081	21	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CN[6a]HH)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(CN[6a]HH){1|C<3>}	102.5090	0.000	1	102.5090	0.000	1	102.7134	0.081	21	102.7134	0.081	21	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CSeHH)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(CSeHH){1|C<3>}	102.6550	0.000	1	102.6550	0.000	1	102.7134	0.081	21	102.7134	0.081	21	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](C[6a]C[6a]O[6a])(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C){1|C<3>,1|O<2>}	C[5a](C[6a]C[6a]O[6a])(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3){1|C<3>}	102.6465	0.299	2	102.6465	0.089	2	102.7134	0.081	21	102.7134	0.081	21	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:S-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)(C[5a]C[5a]S)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(SC)	C[5a](C[5a]C[5a]S)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)(C[5a]C[5a]S){1|C<3>,1|S<4>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(SC){1|H<1>,1|S<4>}	C[5a](C[5a]C[5a]S)(O[5a]C[5a])(H){1|C<3>,1|S<2>}	105.9180	0.000	1	105.9180	0.000	1	105.9180	0.000	1	105.2443	1.024	12	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:Cl-1:	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]Cl)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]C[6])(O[5a]C[5a])(Cl)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]Cl){1|C<4>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C[6])(O[5a]C[5a])(Cl){1|C<3>,1|H<1>,2|S<2>}	103.1250	0.000	1	103.1250	0.000	1	103.1250	0.000	1	105.2443	1.024	12	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(H){1|C<3>}	104.4980	0.031	2	104.5340	0.004	3	104.4785	0.015	4	105.2443	1.024	12	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){3|C<3>,3|H<1>}	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(H){1|C<3>}	104.6060	0.000	1	104.5340	0.004	3	104.4785	0.015	4	105.2443	1.024	12	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(H){1|C<3>}	104.3120	0.000	1	104.3120	0.000	1	104.4785	0.015	4	105.2443	1.024	12	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a]-3:O[5a]-2:O-1:	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(O[5a]C[5a])(O)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|O<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(O[5a]C[5a])(O){3|C<3>}	106.4620	0.000	1	106.2695	0.074	2	105.9957	0.108	6	105.2443	1.024	12	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a]-3:O[5a]-2:O-1:	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(O[5a]C[5a])(O)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|O<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(O[5a]C[5a])(O){3|C<3>}	106.0770	0.000	1	106.2695	0.074	2	105.9957	0.108	6	105.2443	1.024	12	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a]-3:O[5a]-2:O-1:	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a]C)(O[5a]C[5a])(O)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O){1|C<4>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[5a](N[5a]N[5a]C)(O[5a]C[5a])(O){1|C<3>}	105.8560	0.000	1	105.7253	0.014	3	105.9957	0.108	6	105.2443	1.024	12	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a]-3:O[5a]-2:O-1:	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a]C)(O[5a]C[5a])(O)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O){1|C<4>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5a](N[5a]N[5a]C)(O[5a]C[5a])(O){1|C<3>}	105.6600	0.057	2	105.7253	0.014	3	105.9957	0.108	6	105.2443	1.024	12	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a]-3:O[5a]-2:O-1:	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a]H)(O[5a]C[5a])(O)	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O){1|H<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a](N[5a]N[5a]H)(O[5a]C[5a])(O){1|C<3>}	106.2590	0.000	1	106.2590	0.000	1	105.9957	0.108	6	105.2443	1.024	12	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])2{2|C<3>,2|N<2>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a]){2|C<3>,2|N<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a]){2|C<3>,2|N<3>}	102.6420	0.585	2	102.3080	0.506	3	101.8862	0.500	11	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])2{2|C<3>,2|N<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	101.6400	0.000	1	102.3080	0.506	3	101.8862	0.500	11	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])2{1|C<3>,1|N<2>,1|N<3>,1|O<2>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a])(O[5a]C[5a]){1|N<2>,2|C<3>}	101.0870	0.393	2	101.1850	0.081	4	101.8862	0.500	11	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])2{1|C<3>,1|O<2>,2|N<2>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a]){2|C<3>,2|N<3>}	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a])(O[5a]C[5a]){1|N<2>,2|C<3>}	101.2830	0.223	2	101.1850	0.081	4	101.8862	0.500	11	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])2{2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,3|C<3>}	102.0910	0.000	1	102.4633	0.105	3	101.8862	0.500	11	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])2{2|C<3>,2|S<2>}	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a]){4|C<3>}	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a]){4|C<3>}	102.6495	0.039	2	102.4633	0.105	3	101.8862	0.500	11	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[5a]N[5a])2	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])2{1|C<3>,1|N<2>,1|O<2>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a])(O[5a]C[5a]){1|N<2>,2|C<3>}	101.6940	0.000	1	101.6940	0.000	1	101.8862	0.500	11	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){4|C<3>}	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	102.7220	0.000	1	102.7220	0.000	1	102.1194	0.399	15	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|N<2>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	102.5712	0.825	4	102.5712	0.681	4	102.1194	0.399	15	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	102.3110	0.000	1	102.5115	0.080	2	102.1194	0.399	15	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a]){1|S<4>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	102.7120	0.000	1	102.5115	0.080	2	102.1194	0.399	15	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|N<2>,1|O<2>,2|C<3>}	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a])(O[5a]C[5a]){1|N<2>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|F<1>,3|C<3>}	101.6150	0.010	2	101.7201	0.099	8	102.1194	0.399	15	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|N<2>,1|O<2>,2|C<3>}	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a])(O[5a]C[5a]){1|N<2>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	101.7552	0.365	6	101.7201	0.099	8	102.1194	0.399	15	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6]-3:N[5a]-2:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|N<3>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(O[5a]C[5a]){1|Cu<6>,1|H<1>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	102.1540	0.000	1	102.1190	0.002	2	102.1190	0.002	2	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6]-3:N[5a]-2:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|N<3>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(O[5a]C[5a]){1|Zn<6>,1|H<1>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	102.0840	0.000	1	102.1190	0.002	2	102.1190	0.002	2	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[5a]C[5a]O[5a])(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|O<2>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]O[5a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,3|C<3>}	102.9490	0.235	2	102.9490	0.055	2	102.5552	0.358	6	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|S<2>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,3|C<3>}	103.1080	0.000	1	102.8835	0.101	2	102.5552	0.358	6	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|S<2>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(N[5a]N[5a])(O[5a]C[5a]){1|S<4>,3|C<3>}	102.6590	0.000	1	102.8835	0.101	2	102.5552	0.358	6	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|N<2>,1|O<2>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|F<1>,1|H<1>,3|C<3>}	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a])(O[5a]C[5a]){1|N<2>,2|C<3>}	101.6550	0.000	1	101.8330	0.063	2	102.5552	0.358	6	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|N<2>,1|O<2>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a])(O[5a]C[5a]){1|N<2>,2|C<3>}	102.0110	0.000	1	101.8330	0.063	2	102.5552	0.358	6	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:C-2:	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CN)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CN){1|C<3>}	104.2700	0.105	2	104.3217	0.013	3	104.3217	0.013	3	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:C-2:	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CN)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<2>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CN){1|C<3>}	104.4250	0.000	1	104.3217	0.013	3	104.3217	0.013	3	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:N-2:	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(NC)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(NC){3|C<3>}	104.5155	0.394	2	104.5155	0.155	2	104.5155	0.155	2	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:O-2:	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]O)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(OC)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]O){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(OC){1|C<3>}	103.3390	0.000	1	103.3390	0.000	1	103.3390	0.000	1	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:S-2:	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]S)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(O[5a]C[5a])(SC)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]S){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(O[5a]C[5a])(SC){1|O<2>,2|C<3>}	104.0780	0.000	1	104.0780	0.000	1	104.0780	0.000	1	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[6]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){2|C<3>,2|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	102.3100	0.000	1	102.3100	0.000	1	102.3100	0.000	1	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])2{4|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]N[5a])(O[5a]C[5a]){1|Cl<1>,1|N<2>,3|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]N[5a])(O[5a]C[5a]){1|Cl<1>,1|N<2>,3|C<3>}	103.0960	0.000	1	103.0960	0.000	1	102.7694	0.279	118	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])2{4|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	103.2300	0.000	1	103.2300	0.000	1	102.7694	0.279	118	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])2{4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	103.7923	0.792	3	102.7649	0.286	114	102.7694	0.279	118	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])2{4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	103.1790	0.000	2	102.7649	0.286	114	102.7694	0.279	118	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])2{4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	102.9070	0.000	1	102.7649	0.286	114	102.7694	0.279	118	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])2{4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	102.5040	0.000	1	102.7649	0.286	114	102.7694	0.279	118	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])2{4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	102.7740	0.434	6	102.7649	0.286	114	102.7694	0.279	118	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])2{4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	103.2850	0.398	5	102.7649	0.286	114	102.7694	0.279	118	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])2{4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,4|C<3>}	103.3170	0.000	1	102.7649	0.286	114	102.7694	0.279	118	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])2{4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	102.7470	0.334	10	102.7649	0.286	114	102.7694	0.279	118	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])2{4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	102.7420	0.000	1	102.7649	0.286	114	102.7694	0.279	118	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])2{4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|C<4>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	102.6039	0.504	8	102.7649	0.286	114	102.7694	0.279	118	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])2{4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|F<1>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	102.2040	0.000	1	102.7649	0.286	114	102.7694	0.279	118	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])2{4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){2|H<1>,3|C<3>}	102.6990	0.527	75	102.7649	0.286	114	102.7694	0.279	118	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[6a]N[5a])2	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])2{2|C<3>,2|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	102.6275	0.156	2	102.6275	0.024	2	102.7694	0.279	118	102.6913	0.477	160	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:O[5a]-2:O-2:	C[5a,6a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(OC)	C[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a])(CC[6a]H)	O[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]O){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(OC){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a])(CC[6a]H){1|O<2>,2|C<3>}	111.1110	0.000	1	111.1110	0.000	1	111.1110	0.000	1	104.8658	3.025	17	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CC[6a]O)	O[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C){1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a])(O[5a]C[5a]){1|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CC[6a]O){3|C<3>}	104.5280	0.000	1	104.5280	0.000	1	104.5280	0.000	1	104.8658	3.025	17	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(NCS)	O[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N){3|C<3>}	C[5a](C[5a]C[5a]2)(N[5a]C[5a])(O[5a]C[5a]){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(NCS){3|C<3>}	103.6920	0.000	1	103.6920	0.000	1	103.5423	0.239	3	104.8658	3.025	17	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(NCH)	O[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N){1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(NCH){1|C<3>}	103.9390	0.000	1	103.9390	0.000	1	103.5423	0.239	3	104.8658	3.025	17	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(NCH)	O[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N){1|C<3>,1|C<4>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(NCH){1|C<3>}	102.9960	0.000	1	102.9960	0.000	1	103.5423	0.239	3	104.8658	3.025	17	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){2|H<1>,4|C<3>}	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CCH){1|C<3>}	105.0010	0.000	1	105.0010	0.000	1	104.6675	0.229	8	104.8658	3.025	17	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CNO)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CNO){1|C<3>}	104.1780	0.000	1	104.1780	0.000	1	104.6675	0.229	8	104.8658	3.025	17	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(COO)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(COO){1|C<3>}	105.0230	0.000	1	104.4677	0.355	3	104.6675	0.229	8	104.8658	3.025	17	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(COO)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(COO){1|C<3>}	104.1900	0.498	2	104.4677	0.355	3	104.6675	0.229	8	104.8658	3.025	17	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){3|C<3>,3|H<1>}	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCH){1|C<3>}	105.3030	0.000	1	105.3030	0.000	1	104.6675	0.229	8	104.8658	3.025	17	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CC[6a]O)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){3|C<3>,3|H<1>}	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CC[6a]O){1|C<3>}	104.8100	0.000	1	104.8100	0.000	1	104.6675	0.229	8	104.8658	3.025	17	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]S)(O[5a]C[5a])(CCO)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|S<2>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]S)(O[5a]C[5a])(CCO){1|C<3>}	104.6450	0.000	1	104.6450	0.000	1	104.6675	0.229	8	104.8658	3.025	17	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(NCH)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(NCH){3|C<3>}	104.3520	0.000	1	104.3520	0.000	1	104.7780	0.532	4	104.8658	3.025	17	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(NCS)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(NCS){3|C<3>}	103.9700	0.000	1	103.9700	0.000	1	104.7780	0.532	4	104.8658	3.025	17	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(NHH)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]N){1|C<2>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(NHH){1|C<3>}	105.3950	0.001	2	105.3950	0.000	2	104.7780	0.532	4	104.8658	3.025	17	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CC[6a]HS)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CC[6a]HS){3|C<3>}	104.3970	0.000	1	104.3970	0.000	1	104.8809	0.164	23	104.8809	0.164	23	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CF3)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CF3){3|C<3>}	104.1030	0.000	1	104.1030	0.000	1	104.8809	0.164	23	104.8809	0.164	23	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CH3)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CH3){3|C<3>}	104.9335	0.153	2	104.9335	0.024	2	104.8809	0.164	23	104.8809	0.164	23	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CSiHH)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CSiHH){3|C<3>}	105.2200	0.000	1	105.2200	0.000	1	104.8809	0.164	23	104.8809	0.164	23	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CClHH)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CClHH){1|C<3>}	105.1720	0.000	1	105.1720	0.000	1	104.8809	0.164	23	104.8809	0.164	23	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CF3)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CF3){1|C<3>}	104.2180	0.000	1	104.2180	0.000	1	104.8809	0.164	23	104.8809	0.164	23	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CH3){1|C<3>}	104.9850	0.000	1	104.9850	0.000	1	104.8809	0.164	23	104.8809	0.164	23	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CHHO)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CHHO){1|C<3>}	104.6480	0.000	1	104.6480	0.000	1	104.8809	0.164	23	104.8809	0.164	23	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CBrHH)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CBrHH){1|C<3>}	104.2410	0.000	1	104.2410	0.000	1	104.8809	0.164	23	104.8809	0.164	23	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCHH)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCHH){1|C<3>}	104.8560	0.000	1	104.8567	0.066	8	104.8809	0.164	23	104.8809	0.164	23	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCHH)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CCHH){1|C<3>}	104.8569	0.277	7	104.8567	0.066	8	104.8809	0.164	23	104.8809	0.164	23	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CHHO)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(CHHO){1|C<3>}	105.1503	0.139	3	105.1503	0.019	3	104.8809	0.164	23	104.8809	0.164	23	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]O)(O[5a]C[5a])(CCHN)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|O<2>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]O)(O[5a]C[5a])(CCHN){1|C<3>}	105.5360	0.000	1	105.5360	0.000	1	104.8809	0.164	23	104.8809	0.164	23	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]S)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|S<4>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]S)(O[5a]C[5a])(CH3){1|C<3>}	105.5680	0.000	1	105.5680	0.000	1	104.8809	0.164	23	104.8809	0.164	23	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6])	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C[6]){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(O[5a]C[5a]){1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,3|C<3>}	104.8105	0.455	2	104.8105	0.207	2	104.8105	0.207	2	105.0662	0.406	12	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|Br<1>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|Br<1>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,3|C<3>}	105.0900	0.000	1	105.0900	0.000	1	105.3607	0.069	8	105.0662	0.406	12	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<2>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<2>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,3|C<3>}	105.4550	0.000	1	105.4843	0.003	3	105.3607	0.069	8	105.0662	0.406	12	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|C<4>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,3|C<3>}	105.4990	0.062	2	105.4843	0.003	3	105.3607	0.069	8	105.0662	0.406	12	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<2>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,3|C<3>}	105.0980	0.000	1	105.1713	0.015	3	105.3607	0.069	8	105.0662	0.406	12	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,3|C<3>}	105.2080	0.148	2	105.1713	0.015	3	105.3607	0.069	8	105.0662	0.406	12	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|N<3>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,3|C<3>}	105.8290	0.000	1	105.8290	0.000	1	105.3607	0.069	8	105.0662	0.406	12	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-3:O[5a]-2:	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]C[5a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|C<2>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a]2)(O[5a]C[5a]){2|H<1>,3|C<3>}	104.9340	0.000	1	104.9340	0.000	1	104.9340	0.000	1	105.0662	0.406	12	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	N[5a]-3:C[5a]-3:O[5a]-2:	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]H)(O[5a]C[5a]){1|H<1>,3|C<3>}	103.3530	0.000	1	103.3530	0.000	1	103.3530	0.000	1	105.0662	0.406	12	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:2:	4:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[6]-4:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[6]C[6]2H)(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[6]){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[6]C[6]2H)(N[5a]N[5a])(O[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	102.9740	0.000	1	102.9740	0.000	1	102.9740	0.000	1	102.9740	0.000	1	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CCC)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CCC){1|C<4>,2|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){2|C<3>}	104.9210	0.000	1	104.9210	0.000	1	104.2575	0.880	2	104.2253	0.443	3	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(COO)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CF3)	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(COO){1|C<4>,2|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CF3){2|C<3>}	103.5940	0.000	1	103.5940	0.000	1	104.2575	0.880	2	104.2253	0.443	3	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:N[6]-3:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]C[5a]N[6])(C[5a]N[5a]C)	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(N[6]C[6]2)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CC[6a]CH)	O[5a](C[5a]C[5a]N[6])(C[5a]N[5a]C){3|C<4>}	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(N[6]C[6]2){1|C<3>,2|C<4>,4|H<1>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CC[6a]CH){1|C<4>,1|N<3>}	104.1610	0.000	1	104.1610	0.000	1	104.1610	0.000	1	104.2253	0.443	3	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:O[5a]-2:C-3:	C[5a,6]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CCO)	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H){1|C<3>,1|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CCO){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(H){1|C<3>,1|O<1>,2|C<4>}	107.0630	0.076	4	107.0630	0.006	4	107.0630	0.006	4	106.1893	0.650	29	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:Br-1:	O[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Br)	O[5a](C[5a]C[5a]Br)(C[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Br){1|C<3>,1|H<1>}	103.7150	0.000	1	103.7150	0.000	1	103.7150	0.000	1	106.1893	0.650	29	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:Cl-1:	O[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Cl)	O[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){1|Cl<1>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Cl){1|C<3>,1|H<1>}	105.4220	0.000	1	105.4220	0.000	1	105.4220	0.000	1	106.1893	0.650	29	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(CCO)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(CCO){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){2|C<3>}	106.6220	0.133	2	106.6220	0.018	2	106.4151	0.209	7	106.1893	0.650	29	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CNO)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CNO){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){2|C<3>}	106.1330	0.000	1	106.1330	0.000	1	106.4151	0.209	7	106.1893	0.650	29	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(CCN)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(CCN){1|C<4>,1|O<2>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|C<4>}	106.8110	0.000	1	106.8110	0.000	1	106.4151	0.209	7	106.1893	0.650	29	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CNO)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CNO){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){2|C<3>}	105.5940	0.000	1	105.5940	0.000	1	106.4151	0.209	7	106.1893	0.650	29	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO)	C[5a](C[5a]C[5a]N)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.8770	0.000	1	106.8770	0.000	1	106.4151	0.209	7	106.1893	0.650	29	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.2470	0.000	1	106.2470	0.000	1	106.4151	0.209	7	106.1893	0.650	29	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C[5]-3:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]C[5]2)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]C[5]2){2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.5070	0.191	4	106.5070	0.037	4	106.1324	0.299	12	106.1893	0.650	29	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C[5]-3:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.4025	0.124	2	105.9451	0.334	8	106.1324	0.299	12	106.1893	0.650	29	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C[5]-3:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.2427	0.282	3	105.9451	0.334	8	106.1324	0.299	12	106.1893	0.650	29	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C[5]-3:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2){1|Cd<4>,1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	105.0530	0.000	1	105.9451	0.334	8	106.1324	0.299	12	106.1893	0.650	29	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C[5]-3:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2){1|Cu<4>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	105.8510	0.000	1	105.9451	0.334	8	106.1324	0.299	12	106.1893	0.650	29	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C[5]-3:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2){2|C<3>,4|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	105.1240	0.000	1	105.9451	0.334	8	106.1324	0.299	12	106.1893	0.650	29	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C[6]-3:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[6]C[6]2)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[6]C[6]2){1|C<3>,1|C<4>,5|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.2940	0.000	1	106.2903	0.660	3	106.2903	0.660	3	106.1893	0.650	29	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C[6]-3:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[6]C[6]2)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[6]C[6]2){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	107.1010	0.000	1	106.2903	0.660	3	106.2903	0.660	3	106.1893	0.650	29	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C[6]-3:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[6]C[6]2)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[6]C[6]2){2|C<3>,4|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	105.4760	0.000	1	106.2903	0.660	3	106.2903	0.660	3	106.1893	0.650	29	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:N[5]-3:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]N[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(N[5]C[5]2)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]N[5])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(N[5]C[5]2){1|C<3>,1|N<3>,4|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|H<1>,1|N<3>}	104.7350	0.000	1	104.7350	0.000	1	104.7350	0.000	1	106.1893	0.650	29	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a,6a]-3:O[5a]-2:N-2:	O[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(NC)	O[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CCH){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(NC){1|H<1>,3|C<3>}	110.1380	0.000	1	110.1380	0.000	1	109.7350	0.604	5	106.2826	4.271	27	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a,6a]-3:O[5a]-2:N-2:	O[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(NO)	O[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CCH){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(NO){1|H<1>,3|C<3>}	108.9880	0.000	1	108.9880	0.000	1	109.7350	0.604	5	106.2826	4.271	27	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a,6a]-3:O[5a]-2:N-2:	O[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(NO)	O[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(NO){1|H<1>,3|C<3>}	108.8420	0.000	1	108.8420	0.000	1	109.7350	0.604	5	106.2826	4.271	27	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a,6a]-3:O[5a]-2:N-2:	O[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]I)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(NC)	O[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]I){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(NC){1|H<1>,3|C<3>}	110.6100	0.000	1	110.6100	0.000	1	109.7350	0.604	5	106.2826	4.271	27	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a,6a]-3:O[5a]-2:N-2:	O[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]I)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(NC[6a])	O[5a](C[5a]C[5a,6a]C)(C[5a]C[5a,6a]N){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]I){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(NC[6a]){1|H<1>,3|C<3>}	110.0970	0.000	1	110.0970	0.000	1	109.7350	0.604	5	106.2826	4.271	27	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:B[5]-3:	C[5a]-3:O[5a]-2:C-2:	O[5a](C[5a]C[5a]B[5])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(B[5]O[5]2)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC)	O[5a](C[5a]C[5a]B[5])(C[5a]C[5a]C){2|H<1>,2|O<2>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(B[5]O[5]2){1|C<2>,1|H<1>,2|C<4>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC){1|B<3>,1|H<1>}	106.5150	0.000	1	106.5150	0.000	1	106.5150	0.000	1	106.2826	4.271	27	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:C-2:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN){1|C<3>,1|H<1>}	105.9020	0.066	2	105.9020	0.004	2	106.3430	0.586	3	106.2826	4.271	27	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:C-2:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN){1|C<3>,1|H<1>}	107.2250	0.000	1	107.2250	0.000	1	106.3430	0.586	3	106.2826	4.271	27	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:O-2:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]O)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCC)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(OC)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]O){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCC){1|C<3>,1|O<2>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(OC){1|C<3>,1|C<4>}	101.7020	0.000	1	101.7020	0.000	1	105.1735	3.966	8	106.2826	4.271	27	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:O-2:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]O)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCO)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(OC)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]O){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCO){1|H<1>,1|O<2>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(OC){1|C<3>,1|C<4>}	106.4615	0.097	2	106.4615	0.009	2	105.1735	3.966	8	106.2826	4.271	27	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:O-2:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]O)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[6a]C)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(OC)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]O){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[6a]C){1|C<3>,1|O<2>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(OC){1|C<3>,1|C<4>}	104.3260	2.949	2	104.3260	8.694	2	105.1735	3.966	8	106.2826	4.271	27	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:O-2:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]O)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CC[6a]C)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(OC)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]O){2|C<3>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CC[6a]C){1|O<2>,3|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(OC){2|C<3>}	106.0270	0.134	2	106.0270	0.018	2	105.1735	3.966	8	106.2826	4.271	27	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:O-2:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]O)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(COO)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(OC)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]O){2|C<3>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(COO){1|O<2>,3|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(OC){2|C<3>}	106.0570	0.000	1	106.0570	0.000	1	105.1735	3.966	8	106.2826	4.271	27	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C[5]-3:	C[5a]-3:O[5a]-2:C-2:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){2|H<1>,2|N<2>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2){2|Se<2>,1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN){1|C<3>,1|H<1>}	105.4471	0.437	8	105.4471	0.191	8	105.4471	0.191	8	106.2826	4.271	27	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:O[5a]-2:C-2:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC){1|H<1>,1|N<3>}	104.5110	0.000	1	104.5110	0.000	1	104.5110	0.000	1	106.2826	4.271	27	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:O[5a]-2:O-2:	O[5a](C[5a]C[5a]N)(C[5a]C[5a]O)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NCC)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(OC)	O[5a](C[5a]C[5a]N)(C[5a]C[5a]O){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NCC){1|H<1>,1|O<2>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(OC){1|C<3>,1|N<3>}	105.9350	0.000	1	105.9350	0.000	1	105.9350	0.000	1	106.2826	4.271	27	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a,6a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a,6a]C)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[5]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[5]H)	O[5a](C[5a]C[5a,6a]C)2{2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[5]H){1|C<4>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[5]H){1|C<4>,3|C<3>}	109.9125	0.329	2	109.9125	0.108	2	109.9046	0.093	10	106.0469	3.246	104	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a,6a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a,6a]C)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a,6a]C)2{2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]C){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CCH){1|H<1>,3|C<3>}	109.9620	0.000	1	109.9620	0.000	1	109.9046	0.093	10	106.0469	3.246	104	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a,6a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a,6a]C)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a,6a]C)2{2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]H){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CCH){1|H<1>,3|C<3>}	110.0220	0.278	5	110.0220	0.077	5	109.9046	0.093	10	106.0469	3.246	104	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a,6a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a,6a]C)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]H)	O[5a](C[5a]C[5a,6a]C)2{2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]H){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]H){1|H<1>,3|C<3>}	109.3170	0.000	1	109.3170	0.000	1	109.9046	0.093	10	106.0469	3.246	104	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:O[5a]-2:C-3:	C[5a,6a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a,6a]C)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]N)	O[5a](C[5a]C[5a,6a]C)2{2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]H){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CC[6a]N){1|H<1>,3|C<3>}	109.8320	0.000	1	109.8320	0.000	1	109.9046	0.093	10	106.0469	3.246	104	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:O[5a]-2:C[5]-3:	C[5a,6a]-3:O[5a]-2:C[5]-3:	O[5a](C[5a]C[5a,6a]C[5])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(C[5]S[5]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(C[5]S[5]2)	O[5a](C[5a]C[5a,6a]C[5])2{2|C<3>,4|S<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(C[5]S[5]2){1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(C[5]S[5]2){1|H<1>,5|C<3>}	107.7790	0.000	1	107.7790	0.000	1	108.9008	0.806	5	106.0469	3.246	104	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:O[5a]-2:C[5]-3:	C[5a,6a]-3:O[5a]-2:C[5]-3:	O[5a](C[5a]C[5a,6a]C[5])2	C[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a])(C[5]S[5]2)	C[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a])(C[5]S[5]2)	O[5a](C[5a]C[5a,6a]C[5])2{2|N<2>,4|S<2>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a])(C[5]S[5]2){1|N<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(O[5a]C[5a])(C[5]S[5]2){1|N<2>,4|C<3>}	109.1812	0.741	4	109.1812	0.550	4	108.9008	0.806	5	106.0469	3.246	104	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:B-3:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]B)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(BOO)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHO)	O[5a](C[5a]C[5a]B)(C[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(BOO){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHO){1|B<3>,1|H<1>}	106.6220	0.000	1	106.6220	0.000	1	106.6220	0.000	1	106.0469	3.246	104	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(COO)	C[5a](C[5a]C[5a]N)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C)2{1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(COO){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]N)(O[5a]C[5a])(CCH){2|C<3>}	108.0120	0.451	2	108.0120	0.204	2	106.5198	1.097	23	106.0469	3.246	104	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CHO)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CHO)	O[5a](C[5a]C[5a]C)2{2|C<3>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CHO){4|C<3>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CHO){4|C<3>}	105.9790	0.000	1	105.9790	0.000	1	106.5198	1.097	23	106.0469	3.246	104	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CHO)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHO)	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CHO){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHO){2|C<3>}	105.9750	0.000	1	105.9750	0.000	1	106.5198	1.097	23	106.0469	3.246	104	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CNO)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CNO)	O[5a](C[5a]C[5a]C)2{2|C<3>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CNO){4|C<3>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CNO){4|C<3>}	106.8890	0.000	1	106.8890	0.000	1	106.5198	1.097	23	106.0469	3.246	104	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(COO)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO)	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(COO){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO){2|C<3>}	106.0890	0.000	1	106.0890	0.000	1	106.5198	1.097	23	106.0469	3.246	104	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){1|C<3>,1|H<1>}	107.0700	0.000	1	107.0700	0.000	1	106.5198	1.097	23	106.0469	3.246	104	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){1|C<3>,1|H<1>}	105.9950	0.000	1	105.9950	0.000	1	106.5198	1.097	23	106.0469	3.246	104	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHO)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHO){1|C<3>,1|H<1>}	105.2773	1.381	3	105.2773	1.907	3	106.5198	1.097	23	106.0469	3.246	104	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){1|C<3>,1|H<1>}	106.0840	0.000	1	106.0840	0.000	1	106.5198	1.097	23	106.0469	3.246	104	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H){1|C<3>,1|H<1>}	107.3230	0.000	1	107.3230	0.000	1	106.5198	1.097	23	106.0469	3.246	104	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCrO)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCrO)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCrO){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCrO){1|C<3>,1|H<1>}	107.5940	0.000	1	107.5940	0.000	1	106.5198	1.097	23	106.0469	3.246	104	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){1|C<3>,1|H<1>}	105.8310	0.625	3	105.8310	0.391	3	106.5198	1.097	23	106.0469	3.246	104	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO){1|C<3>,1|H<1>}	106.6870	0.786	5	106.6870	0.618	5	106.5198	1.097	23	106.0469	3.246	104	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]O)(O[5a]C[5a])(COO)	C[5a](C[5a]C[5a]O)(O[5a]C[5a])(COO)	O[5a](C[5a]C[5a]C)2{2|O<2>}	C[5a](C[5a]C[5a]O)(O[5a]C[5a])(COO){1|C<3>,1|O<2>}	C[5a](C[5a]C[5a]O)(O[5a]C[5a])(COO){1|C<3>,1|O<2>}	108.1730	0.000	1	108.1730	0.000	1	106.5198	1.097	23	106.0469	3.246	104	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NCC)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NCC){1|C<3>,1|H<1>}	107.3400	0.000	1	107.3400	0.000	1	104.8162	0.257	58	106.0469	3.246	104	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO){1|C<3>,1|H<1>}	104.7980	0.000	1	104.7980	0.000	1	104.8162	0.257	58	106.0469	3.246	104	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO){1|C<3>,1|H<1>}	104.7848	0.384	53	104.7848	0.147	53	104.8162	0.257	58	106.0469	3.246	104	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNS)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNS){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO){1|C<3>,1|H<1>}	104.7415	0.251	2	104.7415	0.063	2	104.8162	0.257	58	106.0469	3.246	104	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO){1|C<3>,1|H<1>}	104.1240	0.000	1	104.1240	0.000	1	104.8162	0.257	58	106.0469	3.246	104	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC[6a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]O)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC[6a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]O){1|C<3>,1|N<3>}	106.5465	0.473	2	106.5465	0.224	2	106.5465	0.224	2	106.0469	3.246	104	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:P-3:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]2)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COW)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]P){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]2){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COW){1|H<1>,1|P<3>}	107.2820	0.000	1	107.2820	0.000	1	107.2820	0.000	1	106.0469	3.246	104	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:P-3:	C[5a]-3:O[5a]-2:P-3:	O[5a](C[5a]C[5a]P)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[6a]2)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[6a]2)	O[5a](C[5a]C[5a]P)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[6a]2){1|H<1>,1|P<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[6a]2){1|H<1>,1|P<3>}	106.7080	0.000	1	106.7080	0.000	1	107.2585	0.192	4	106.0469	3.246	104	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:P-3:	C[5a]-3:O[5a]-2:P-3:	O[5a](C[5a]C[5a]P)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PCl2)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PCl2)	O[5a](C[5a]C[5a]P)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PCl2){1|H<1>,1|P<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PCl2){1|H<1>,1|P<3>}	107.7800	0.000	1	107.7800	0.000	1	107.2585	0.192	4	106.0469	3.246	104	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:P-3:	C[5a]-3:O[5a]-2:P-3:	O[5a](C[5a]C[5a]P)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PNN)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PNN)	O[5a](C[5a]C[5a]P)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PNN){1|H<1>,1|P<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PNN){1|H<1>,1|P<3>}	107.2730	0.030	2	107.2730	0.001	2	107.2585	0.192	4	106.0469	3.246	104	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:B[5]-3:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]B[5])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(B[5]C[5]2)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]B[5])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(B[5]C[5]2){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|B<3>,1|H<1>}	108.1310	0.000	1	108.1310	0.000	1	108.1310	0.000	1	106.8614	0.776	37	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCH)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C)2{2|C<3>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCH){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3){4|C<3>}	107.3080	0.000	1	107.3080	0.000	1	107.4459	0.177	17	106.8614	0.776	37	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CC[6a]2)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C)2{2|C<3>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CC[6a]2){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){2|C<3>}	107.6760	0.000	1	107.6760	0.000	1	107.4459	0.177	17	106.8614	0.776	37	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	107.0756	0.400	5	107.0756	0.160	5	107.4459	0.177	17	106.8614	0.776	37	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO){1|C<3>,1|H<1>}	107.0660	0.000	1	107.0660	0.000	1	107.4459	0.177	17	106.8614	0.776	37	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	107.5115	0.239	4	107.5115	0.057	4	107.4459	0.177	17	106.8614	0.776	37	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]C)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]C){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	107.9250	0.243	4	107.9250	0.059	4	107.4459	0.177	17	106.8614	0.776	37	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-3:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]O)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]O){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	107.4070	0.000	1	107.4070	0.000	1	107.4459	0.177	17	106.8614	0.776	37	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C[5]-3:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2){1|Co<4>,1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	106.5180	0.181	2	106.3603	0.091	3	106.3603	0.091	3	106.8614	0.776	37	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C[5]-3:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2){1|Cu<4>,1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	106.0450	0.000	1	106.3603	0.091	3	106.3603	0.091	3	106.8614	0.776	37	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC[6a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC[6a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<2>,1|N<3>}	107.3172	0.471	5	107.3172	0.222	5	106.2613	0.776	15	106.8614	0.776	37	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NHH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CF3)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NHH){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CF3){1|C<3>,1|N<3>}	105.4240	0.034	2	105.4240	0.001	2	106.2613	0.776	15	106.8614	0.776	37	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NCS)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NCS){2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|N<3>}	106.1240	0.072	2	106.1240	0.005	2	106.2613	0.776	15	106.8614	0.776	37	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NCS)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CHHO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NCS){2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CHHO){1|C<3>,1|N<3>}	106.3080	0.000	1	106.3080	0.000	1	106.2613	0.776	15	106.8614	0.776	37	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NCS)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CHHS)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NCS){2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CHHS){1|C<3>,1|N<3>}	105.5330	0.000	1	105.5330	0.000	1	106.2613	0.776	15	106.8614	0.776	37	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NC[6]S)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CHHN)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NC[6]S){2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CHHN){1|C<3>,1|N<3>}	105.9415	0.247	2	105.9415	0.061	2	106.2613	0.776	15	106.8614	0.776	37	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:N-3:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NC[6a]S)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CHHO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NC[6a]S){2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CHHO){1|C<3>,1|N<3>}	105.2570	0.366	2	105.2570	0.134	2	106.2613	0.776	15	106.8614	0.776	37	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:N[5]-3:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]N[5])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(N[5]C[5]2)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]N[5])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(N[5]C[5]2){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|H<1>,1|N<3>}	106.1570	0.000	1	106.1570	0.000	1	106.1570	0.000	1	106.8614	0.776	37	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CCHH)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<4>}	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CCHH){1|C<4>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){2|C<4>}	104.5750	0.000	1	104.5750	0.000	1	104.8370	0.137	2	104.8370	0.137	2	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C)	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CC[6]HH)	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C)(C[5a]N[5a]C){1|C<4>}	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(CC[6]HH){1|C<4>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){2|C<4>}	105.0990	0.000	1	105.0990	0.000	1	104.8370	0.137	2	104.8370	0.137	2	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:O[5a]-2:C-4:	C[5a,6]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H)	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3)	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a,6]C)(C[5a]C[5a,6]H){1|C<3>,1|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3){1|H<1>,1|O<1>,2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(H){1|C<3>,2|C<4>,2|H<1>}	107.7392	0.244	4	107.7392	0.060	4	107.7392	0.060	4	106.1018	1.712	50	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:Br-1:	O[5a](C[5a]C[5a]Br)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Br)	O[5a](C[5a]C[5a]Br)(C[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Br){1|C<4>,1|H<1>}	105.5782	0.430	4	105.5782	0.185	4	105.5782	0.185	4	106.1018	1.712	50	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:Cl-1:	O[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]HO)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Cl)	O[5a](C[5a]C[5a]Cl)(C[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]HO){1|Cl<1>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Cl){1|C<4>,1|H<1>}	105.2660	0.363	2	105.2660	0.132	2	105.2660	0.132	2	106.1018	1.712	50	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){1|C<3>,1|C<4>}	107.6610	0.000	1	107.6610	0.000	1	106.4864	0.357	17	106.1018	1.712	50	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[3x6]2O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[3x6]2O){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){2|C<4>}	106.5740	0.000	1	106.5740	0.000	1	106.4864	0.357	17	106.1018	1.712	50	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[6a]CH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[6a]CH){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|C<4>}	106.9250	0.000	1	106.9250	0.000	1	106.4864	0.357	17	106.1018	1.712	50	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){1|C<3>,1|C<4>}	106.9900	0.448	2	106.9900	0.201	2	106.4864	0.357	17	106.1018	1.712	50	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|C<4>}	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(CCHH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){2|C<4>}	107.1950	0.000	1	107.1950	0.000	1	106.4864	0.357	17	106.1018	1.712	50	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5,6]HO)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5,6]HO){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.2190	0.000	1	106.2190	0.000	1	106.4864	0.357	17	106.1018	1.712	50	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]2H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]2H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	105.9935	0.319	2	105.9935	0.102	2	106.4864	0.357	17	106.1018	1.712	50	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]HO)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]HO){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.1865	0.125	2	106.1865	0.016	2	106.4864	0.357	17	106.1018	1.712	50	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]2H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]2H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	105.7040	0.000	1	105.7040	0.000	1	106.4864	0.357	17	106.1018	1.712	50	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.1680	0.000	1	106.1385	0.002	2	106.4864	0.357	17	106.1018	1.712	50	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.1090	0.000	1	106.1385	0.002	2	106.4864	0.357	17	106.1018	1.712	50	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5a]HH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5a]HH){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.0265	0.301	2	106.0265	0.090	2	106.4864	0.357	17	106.1018	1.712	50	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S)(O[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){1|C<4>,1|S<4>}	C[5a](C[5a]C[5a]S)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){1|C<4>,1|S<4>}	107.3200	0.000	1	107.3200	0.000	1	106.4864	0.357	17	106.1018	1.712	50	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:I-1:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]I)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(I)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]I){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){1|H<1>,1|I<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(I){1|C<4>,1|H<1>}	105.1490	0.000	1	105.1490	0.000	1	105.1490	0.000	1	106.1018	1.712	50	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	N[5a]-3:O[5a]-2:O-1:	O[5a](C[5a]C[5a]C)(C[5a]N[5a]O)	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CCHH)	C[5a](N[5a]C[5a]H)(O[5a]C[5a])(O)	O[5a](C[5a]C[5a]C)(C[5a]N[5a]O){1|C<3>,1|H<1>}	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CCHH){1|H<1>,1|O<1>,2|C<3>}	C[5a](N[5a]C[5a]H)(O[5a]C[5a])(O){1|C<3>,1|C<4>}	107.7615	0.029	2	107.7615	0.001	2	107.7615	0.001	2	106.1018	1.712	50	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:P-4:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]2Mo)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]2Mo){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|H<1>,1|P<4>}	105.9453	0.256	3	105.9453	0.066	3	105.5173	2.545	20	106.1018	1.712	50	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:P-4:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]2Pd)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]2Pd){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|H<1>,1|P<4>}	105.3750	0.717	2	105.3750	0.514	2	105.5173	2.545	20	106.1018	1.712	50	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:P-4:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]2Rh)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]2Rh){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|H<1>,1|P<4>}	106.5333	0.472	3	106.5333	0.223	3	105.5173	2.545	20	106.1018	1.712	50	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:P-4:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]Ru2)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(PC[5a]Ru2){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|H<1>,1|P<4>}	105.1800	1.959	12	105.1800	3.837	12	105.5173	2.545	20	106.1018	1.712	50	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:N-2:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<2>,1|N<2>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC){1|C<4>,1|H<1>}	106.3420	0.000	1	106.3420	0.000	1	106.3420	0.000	1	105.9640	0.286	2	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:O-2:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]O)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]CN)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(OC)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]O){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]CN){1|H<1>,1|O<2>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(OC){1|C<4>,1|H<1>}	105.5860	0.000	1	105.5860	0.000	1	105.5860	0.000	1	105.9640	0.286	2	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){1|C<3>,1|C<4>}	107.4450	0.000	1	107.4450	0.000	1	106.8224	0.249	41	106.6026	0.633	48	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CNO)	O[5a](C[5a]C[5a]C)2{1|C<2>,1|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<2>,1|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CNO){1|C<3>,1|C<4>}	108.0200	0.000	1	108.0200	0.000	1	106.8224	0.249	41	106.6026	0.633	48	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){1|C<3>,1|C<4>}	107.5360	0.000	1	107.5360	0.000	1	106.8224	0.249	41	106.6026	0.633	48	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCI)	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCI){1|C<3>,1|C<4>}	107.8640	0.000	1	107.8640	0.000	1	106.8224	0.249	41	106.6026	0.633	48	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO)	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO){1|C<3>,1|C<4>}	107.2720	0.000	1	107.2720	0.000	1	106.8224	0.249	41	106.6026	0.633	48	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[4])(O[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHO)	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[4])(O[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHO){1|C<3>,1|C<4>}	106.9210	0.200	4	106.9210	0.040	4	106.8224	0.249	41	106.6026	0.633	48	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){1|C<4>,1|H<1>}	107.1975	0.228	2	107.1975	0.052	2	106.8224	0.249	41	106.6026	0.633	48	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCO){1|C<4>,1|H<1>}	107.5030	0.000	1	107.5030	0.000	1	106.8224	0.249	41	106.6026	0.633	48	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHO)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHO){1|C<4>,1|H<1>}	105.6790	0.000	1	105.6790	0.000	1	106.8224	0.249	41	106.6026	0.633	48	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){1|C<4>,1|H<1>}	106.8061	0.150	9	106.8061	0.023	9	106.8224	0.249	41	106.6026	0.633	48	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]2H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCC)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]2H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCC){1|C<4>,1|H<1>}	107.3950	0.000	1	107.3950	0.000	1	106.8224	0.249	41	106.6026	0.633	48	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]CH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHO)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]CH){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHO){1|C<4>,1|H<1>}	106.6060	0.000	1	106.6060	0.000	1	106.8224	0.249	41	106.6026	0.633	48	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){1|C<4>,1|H<1>}	106.6465	0.334	13	106.6465	0.112	13	106.8224	0.249	41	106.6026	0.633	48	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){1|C<4>,1|H<1>}	106.2730	0.000	1	106.2730	0.000	1	106.8224	0.249	41	106.6026	0.633	48	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHO)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHO){1|C<4>,1|H<1>}	106.1210	0.222	2	106.1210	0.049	2	106.8224	0.249	41	106.6026	0.633	48	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(COO){1|C<4>,1|H<1>}	106.1440	0.000	1	106.1440	0.000	1	106.8224	0.249	41	106.6026	0.633	48	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CBrCH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CBrCH){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO){1|C<4>,1|H<1>}	104.7650	0.000	1	104.7650	0.000	1	104.8954	0.626	5	106.6026	0.633	48	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CBrHH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CBrHH){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO){1|C<4>,1|H<1>}	103.6650	0.000	1	103.6650	0.000	1	104.8954	0.626	5	106.6026	0.633	48	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NCS)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NCS){1|C<4>,1|H<1>}	105.8350	0.000	1	105.8350	0.000	1	104.8954	0.626	5	106.6026	0.633	48	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]N){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO){1|C<4>,1|H<1>}	105.1060	0.000	2	105.1060	0.000	2	104.8954	0.626	5	106.6026	0.633	48	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:Se-3:	O[5a](C[5a]C[5a]Se)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(SePdC)	O[5a](C[5a]C[5a]Se)(C[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC){1|Se<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(SePdC){1|C<4>,1|H<1>}	106.3645	0.776	2	106.3645	0.602	2	106.3645	0.602	2	106.6026	0.633	48	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a,6]-3:O[5a]-2:C-4:	C[5a,6]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a,6]C)2	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3)	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a,6]C)2{1|C<3>,1|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3){1|C<3>,3|C<4>}	107.7840	0.000	1	107.7840	0.000	1	107.7840	0.000	1	107.2441	0.617	83	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:O[5a]-2:Si-4:	C[5a,6a]-3:O[5a]-2:Si-4:	O[5a](C[5a]C[5a,6a]Si)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(SiC3)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a])(SiC3)	O[5a](C[5a]C[5a,6a]Si)2{2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(SiC3){1|Si<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a])(SiC3){1|Si<4>,3|C<3>}	110.6800	0.000	1	110.6800	0.000	1	110.6800	0.000	1	107.2441	0.617	83	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]2)(O[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<3>,1|C<4>}	107.1790	0.000	1	107.1790	0.000	1	107.1851	0.476	80	107.2441	0.617	83	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH)	O[5a](C[5a]C[5a]C)2{2|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH){1|C<3>,1|C<4>}	108.8010	0.000	1	108.8010	0.000	1	107.1851	0.476	80	107.2441	0.617	83	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC3)	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC3){1|C<3>,1|C<4>}	107.8270	0.144	2	107.8270	0.021	2	107.1851	0.476	80	107.2441	0.617	83	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHO)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]CH)	O[5a](C[5a]C[5a]C)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHO){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]CH){2|C<4>}	107.6050	0.000	1	107.6050	0.000	1	107.1851	0.476	80	107.2441	0.617	83	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[6a]HH)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C)2{1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC[6a]HH){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){2|C<4>}	107.8520	0.000	1	107.8520	0.000	1	107.1851	0.476	80	107.2441	0.617	83	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C)2{1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){2|C<4>}	107.4005	0.245	2	107.4005	0.060	2	107.1851	0.476	80	107.2441	0.617	83	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO)	O[5a](C[5a]C[5a]C)2{1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO){2|C<4>}	105.6620	0.165	2	105.6620	0.027	2	107.1851	0.476	80	107.2441	0.617	83	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<3>,1|C<4>}	107.5189	0.249	11	107.5189	0.062	11	107.1851	0.476	80	107.2441	0.617	83	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]Ru)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C)2{1|Ru<5>,1|C<3>}	C[5a](C[5a]C[5a]C[6])(O[5a]C[5a])(CH3){1|Ru<5>,1|C<3>,1|C<4>,1|N<3>}	C[5a](C[5a]C[5a]Ru)(O[5a]C[5a])(CH3){1|C<3>,1|C<4>}	107.1780	0.000	1	107.1780	0.000	1	107.1851	0.476	80	107.2441	0.617	83	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<3>,1|C<4>}	106.6850	0.000	1	106.6850	0.000	1	107.1851	0.476	80	107.2441	0.617	83	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCCH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCCH){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	106.0740	0.000	1	106.0740	0.000	1	107.1851	0.476	80	107.2441	0.617	83	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	107.1320	0.000	1	107.1320	0.000	1	107.1851	0.476	80	107.2441	0.617	83	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	107.5630	0.000	1	107.5630	0.000	1	107.1851	0.476	80	107.2441	0.617	83	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]S)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C)2{1|H<1>,1|S<4>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH){1|C<4>,1|S<4>}	C[5a](C[5a]C[5a]S)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	107.3240	0.113	2	107.3240	0.013	2	107.1851	0.476	80	107.2441	0.617	83	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHN)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHN){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	107.0248	0.522	16	107.0248	0.272	16	107.1851	0.476	80	107.2441	0.617	83	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	107.0113	0.396	3	107.0113	0.157	3	107.1851	0.476	80	107.2441	0.617	83	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]HH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]HH){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	106.6820	0.000	1	106.6820	0.000	1	107.1851	0.476	80	107.2441	0.617	83	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]CC){1|C<4>,1|H<1>}	107.3080	0.461	11	107.3080	0.213	11	107.1851	0.476	80	107.2441	0.617	83	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]2H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]2H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	107.3942	0.494	4	107.3942	0.244	4	107.1851	0.476	80	107.2441	0.617	83	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]BH)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]BH){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	108.2340	0.000	1	108.2340	0.000	1	107.1851	0.476	80	107.2441	0.617	83	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]HS)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]HS){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	107.5150	0.000	1	107.5150	0.000	1	107.1851	0.476	80	107.2441	0.617	83	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	108.2317	1.005	3	108.2317	1.010	3	107.1851	0.476	80	107.2441	0.617	83	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	108.4210	0.000	1	108.4210	0.000	1	107.1851	0.476	80	107.2441	0.617	83	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHS)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHS){1|C<4>,1|H<1>}	106.8380	0.071	2	106.8380	0.005	2	107.1851	0.476	80	107.2441	0.617	83	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]HH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[5]HH){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	106.3033	0.496	3	106.3033	0.246	3	107.1851	0.476	80	107.2441	0.617	83	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6]CH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6]CH){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO){1|C<4>,1|H<1>}	106.2380	0.000	1	106.2380	0.000	1	107.1851	0.476	80	107.2441	0.617	83	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6a]HH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CN[6a]HH){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	107.1670	0.000	1	107.1670	0.000	1	107.1851	0.476	80	107.2441	0.617	83	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CRuOO)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CRuOO)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CRuOO){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CRuOO){1|C<4>,1|H<1>}	106.1677	0.486	4	106.1677	0.237	4	107.1851	0.476	80	107.2441	0.617	83	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:Si-4:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]Si)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(SiC[5]CC)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]Si)(C[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(SiC[5]CC){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|Si<4>,1|H<1>}	107.9890	0.000	1	107.9890	0.000	1	107.9890	0.000	1	107.2441	0.617	83	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:4:2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6]-4:O[5a]-2:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[4])(O[5a]C[5a])(CH3)	C[5a](C[5a]C[5a]H)(C[6]O[6]2H)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C){1|C<3>,2|H<1>,2|O<2>}	C[5a](C[5a]C[5a]C[4])(O[5a]C[5a])(CH3){1|C<3>,1|H<1>,2|C<4>}	C[5a](C[5a]C[5a]H)(C[6]O[6]2H)(O[5a]C[5a]){1|C<3>,3|C<4>}	107.0117	0.088	3	107.0117	0.008	3	106.9712	0.012	4	106.9712	0.012	4	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:4:	3:4:2:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:C-4:	C[5a]-3:C[6]-4:O[5a]-2:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(CCHH)	C[5a](C[5a]C[5a]H)(C[6]O[6]2H)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C){1|C<3>,2|H<1>,2|O<2>}	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(CCHH){1|C<3>,1|H<1>,2|C<4>}	C[5a](C[5a]C[5a]H)(C[6]O[6]2H)(O[5a]C[5a]){1|C<3>,3|C<4>}	106.8500	0.000	1	106.8500	0.000	1	106.9712	0.012	4	106.9712	0.012	4	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:2:5:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:O[5a]-2:Si-5:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]Si)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(SiTiCCN)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]Si)(C[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(SiTiCCN){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|Si<5>,1|H<1>}	107.6375	0.012	2	107.6375	0.000	2	107.6375	0.000	2	107.6375	0.000	2	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:H-1:	O[5a](C[5a]C[5a]2)(C[5a]N[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]N[5a]H){1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(O[5a]C[5a]){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(H){2|C<3>}	104.4480	0.000	1	104.4480	0.000	1	104.4480	0.000	1	104.2680	0.321	5	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a]){3|H<1>,4|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(H){2|C<3>}	104.6745	0.510	2	104.6745	0.260	2	104.2230	0.415	4	104.2680	0.321	5	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(H){1|C<3>,1|C<4>}	103.4800	0.000	1	103.4800	0.000	1	104.2230	0.415	4	104.2680	0.321	5	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(H){1|C<3>,1|H<1>}	104.0630	0.000	1	104.0630	0.000	1	104.2230	0.415	4	104.2680	0.321	5	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:S-2:	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]C[5a])(SSn)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(SSn){2|C<3>}	104.8180	0.000	1	104.8180	0.000	1	104.8180	0.000	1	104.8180	0.000	1	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-3:	O[5a](C[5a]C[5a]2)(C[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]C[5a])(COO)	O[5a](C[5a]C[5a]2)(C[5a]N[5a]C){1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(COO){1|C<3>,1|H<1>}	104.4090	0.000	1	104.4090	0.000	1	104.4090	0.000	1	104.4424	0.028	5	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]C[5a])(CC[6a]O)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,5|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CC[6a]O){2|C<3>}	104.3210	0.000	1	104.3210	0.000	1	104.4545	0.036	2	104.4424	0.028	5	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]C[5a])(COO)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(COO){1|C<3>,1|H<1>}	104.5880	0.000	1	104.5880	0.000	1	104.4545	0.036	2	104.4424	0.028	5	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:N-3:	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]C[5a])(NHH)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a]){1|N<3>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(NHH){2|C<3>}	104.6400	0.000	1	104.6400	0.000	1	104.4470	0.074	2	104.4424	0.028	5	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:N-3:	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]C[5a])(NHH)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(NHH){1|C<3>,1|H<1>}	104.2540	0.000	1	104.2540	0.000	1	104.4470	0.074	2	104.4424	0.028	5	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]C[5a]2)(C[5a]N[5a]C)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]N[5a]Cl)(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]2)(C[5a]N[5a]C){1|Cl<1>,2|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]N[5a]Cl)(O[5a]C[5a]){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){1|Cl<1>,1|C<3>}	104.8630	0.000	1	104.8630	0.000	1	104.8630	0.000	1	105.2737	0.175	13	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]C[5a])(CCHH)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CCHH){2|C<3>}	105.4333	0.205	6	105.4333	0.042	6	105.4108	0.052	11	105.2737	0.175	13	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){2|C<3>}	105.5700	0.000	1	105.5700	0.000	1	105.4108	0.052	11	105.2737	0.175	13	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){1|C<3>,1|C<4>}	104.9710	0.000	1	105.2720	0.181	2	105.4108	0.052	11	105.2737	0.175	13	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){3|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){2|C<3>}	105.5730	0.000	1	105.2720	0.181	2	105.4108	0.052	11	105.2737	0.175	13	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){1|C<3>,1|N<3>}	105.5800	0.000	1	105.5800	0.000	1	105.4108	0.052	11	105.2737	0.175	13	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]C[5a])(CBrHH)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]C){1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(O[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CBrHH){1|C<3>,1|N<3>}	105.2250	0.000	1	105.2250	0.000	1	105.4108	0.052	11	105.2737	0.175	13	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]C[5a]N[5])(C[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5]C[5,6a]C[5])(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]N[5])(C[5a]N[5a]C){1|C<4>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5]C[5,6a]C[5])(O[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CH3){1|C<3>,1|N<3>}	104.1760	0.000	1	104.1760	0.000	1	104.1760	0.000	1	105.2737	0.175	13	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	B-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:Br-1:	O[5a](C[5a]C[5a]Br)(C[5a]C[5a]B)	C[5a](BC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Br)	O[5a](C[5a]C[5a]Br)(C[5a]C[5a]B){2|H<1>}	C[5a](BC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Br){1|B<3>,1|H<1>}	106.3800	0.187	2	106.3800	0.035	2	106.3800	0.035	2	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	B-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:I-1:	O[5a](C[5a]C[5a]B)(C[5a]C[5a]I)	C[5a](BC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(I)	O[5a](C[5a]C[5a]B)(C[5a]C[5a]I){2|H<1>}	C[5a](BC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|H<1>,1|I<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(I){1|B<3>,1|H<1>}	106.5038	0.248	6	106.5038	0.061	6	106.5038	0.061	6	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.0340	0.000	1	105.6460	0.301	2	105.6658	0.324	12	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a]H)(O[5a]C[5a]){3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	105.2580	0.000	1	105.6460	0.301	2	105.6658	0.324	12	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.0650	0.000	1	106.2980	0.051	3	105.6658	0.324	12	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|N<2>,2|H<1>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|N<3>,4|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.4145	0.142	2	106.2980	0.051	3	105.6658	0.324	12	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5]N[5,6]O[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|N<3>,1|O<2>,2|H<1>}	C[5a](C[5]N[5,6]O[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<3>,2|B<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	104.8390	0.000	1	104.8390	0.000	1	105.6658	0.324	12	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5]N[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|N<2>,1|O<2>,2|H<1>}	C[5a](C[5]N[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	105.3410	0.000	1	105.3875	0.004	2	105.6658	0.324	12	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5]N[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|N<2>,1|O<2>,2|H<1>}	C[5a](C[5]N[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	105.4340	0.000	1	105.3875	0.004	2	105.6658	0.324	12	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5]Se[5]C[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|Se<2>,1|C<3>,2|H<1>}	C[5a](C[5]Se[5]C[5])(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	105.8650	0.387	2	105.8650	0.150	2	105.6658	0.324	12	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5]Se[5]N[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|Se<2>,1|N<2>,2|H<1>}	C[5a](C[5]Se[5]N[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	105.2295	0.713	2	105.2295	0.509	2	105.6658	0.324	12	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[6a]-3:O[5a]-2:	C[5a,6]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(H)	O[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H){1|C<4>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,4|C<3>,4|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	107.0180	0.000	1	107.0180	0.000	1	107.0180	0.000	1	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(CC[5a]C[5])(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(CC[5a]C[5])(O[5a]C[5a]){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.4415	0.375	2	106.4415	0.141	2	106.4415	0.141	2	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:Br-1:	O[5a](C[5a]C[5a]Br)(C[5a]C[5a]2)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Br)	O[5a](C[5a]C[5a]Br)(C[5a]C[5a]2){1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(O[5a]C[5a]){1|Br<1>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Br){2|C<3>}	105.7510	0.000	1	105.7510	0.000	1	105.7510	0.000	1	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5,5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5,5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.0440	0.126	2	106.0440	0.016	2	106.0520	0.574	74	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a,6a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a,6a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	105.4370	0.000	1	105.4370	0.000	1	106.0520	0.574	74	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<2>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	109.1215	1.187	2	109.1215	1.410	2	106.0520	0.574	74	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	105.8650	0.000	1	105.9399	0.183	7	106.0520	0.574	74	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	105.6613	0.450	3	105.9399	0.183	7	106.0520	0.574	74	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.3440	0.000	1	105.9399	0.183	7	106.0520	0.574	74	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){2|H<1>,2|N<2>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(O[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.1930	0.402	2	105.9399	0.183	7	106.0520	0.574	74	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.3590	0.000	1	106.1916	0.363	17	106.0520	0.574	74	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	105.7793	1.125	3	106.1916	0.363	17	106.0520	0.574	74	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.2585	0.933	2	106.1916	0.363	17	106.0520	0.574	74	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.7190	0.000	1	106.1916	0.363	17	106.0520	0.574	74	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	105.8535	0.414	2	106.1916	0.363	17	106.0520	0.574	74	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,2|N<2>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	105.9190	0.000	1	106.1916	0.363	17	106.0520	0.574	74	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.3745	0.239	4	106.1916	0.363	17	106.0520	0.574	74	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	107.0680	0.000	1	106.1916	0.363	17	106.0520	0.574	74	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.0665	0.108	2	106.1916	0.363	17	106.0520	0.574	74	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){2|C<3>}	106.8670	0.054	2	105.8591	0.378	19	106.0520	0.574	74	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){2|C<3>}	105.7405	0.532	17	105.8591	0.378	19	106.0520	0.574	74	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.7495	0.040	2	106.7495	0.002	2	106.0520	0.574	74	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	105.6433	0.036	3	105.9679	0.125	16	106.0520	0.574	74	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	105.9240	0.115	2	105.9679	0.125	16	106.0520	0.574	74	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	105.9636	0.319	9	105.9679	0.125	16	106.0520	0.574	74	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.5185	0.339	2	105.9679	0.125	16	106.0520	0.574	74	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	105.9500	0.000	1	105.9500	0.000	1	106.0520	0.574	74	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6]N[5a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]N[5a,6]N[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,2|H<1>,2|N<2>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.1035	0.098	2	106.1035	0.010	2	106.0520	0.574	74	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]N[5a,6a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	104.8830	0.000	1	104.8830	0.000	1	106.0520	0.574	74	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|N<2>,1|O<2>,2|H<1>}	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	105.2160	0.559	2	105.3067	0.181	3	106.0520	0.574	74	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|N<2>,1|O<2>,2|H<1>}	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	105.4880	0.000	1	105.3067	0.181	3	106.0520	0.574	74	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H)	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]H){1|N<2>,1|S<2>,2|H<1>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	105.9770	0.000	1	105.9770	0.000	1	106.0520	0.574	74	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){1|C<3>,1|C<4>}	106.6630	0.000	1	106.6630	0.000	1	106.4796	0.304	34	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|C<3>,4|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){2|C<3>}	107.4965	0.121	2	107.4965	0.015	2	106.4796	0.304	34	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){3|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(H){2|C<3>}	107.0550	0.000	1	107.0550	0.000	1	106.4796	0.304	34	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){4|C<3>,4|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){2|C<3>}	106.9660	0.000	1	106.9660	0.000	1	106.4796	0.304	34	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.0720	0.000	1	106.4214	0.168	28	106.4796	0.304	34	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<3>,1|N<2>,4|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	105.8575	0.103	2	106.4214	0.168	28	106.4796	0.304	34	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.8730	0.000	1	106.4214	0.168	28	106.4796	0.304	34	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){2|C<3>,2|H<1>,2|O<2>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.5243	0.350	6	106.4214	0.168	28	106.4796	0.304	34	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){2|C<3>,4|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.5846	0.346	13	106.4214	0.168	28	106.4796	0.304	34	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.0920	0.198	3	106.4214	0.168	28	106.4796	0.304	34	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){2|N<2>,4|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.0580	0.652	2	106.4214	0.168	28	106.4796	0.304	34	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){2|H<1>,2|N<2>}	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(O[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	104.8310	0.000	1	104.8310	0.000	1	106.4796	0.304	34	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:I-1:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(I)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]I){2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,1|I<1>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(I){1|C<3>,1|C<4>}	104.0920	0.000	1	104.0920	0.000	1	104.0920	0.000	1	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	N[5a]-3:O[5a]-2:O-1:	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](N[5a]C[5a]C)(O[5a]C[5a])(O)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O){1|C<4>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5a](N[5a]C[5a]C)(O[5a]C[5a])(O){2|C<3>}	109.1130	0.000	1	109.1130	0.000	1	108.4702	1.308	4	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	N[5a]-3:O[5a]-2:O-1:	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O)	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])(O)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O){1|Br<1>,3|C<3>}	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(O[5a]C[5a]){1|O<1>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])(O){1|Br<1>,3|C<3>}	108.0495	1.766	2	108.0495	3.118	2	108.4702	1.308	4	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	N[5a]-3:O[5a]-2:O-1:	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](N[5a]C[5a]C)(O[5a]C[5a])(O)	O[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]O){1|C<4>,3|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]C)(O[5a]C[5a])(O){2|C<3>}	108.6690	0.000	1	108.6690	0.000	1	108.4702	1.308	4	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:P-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(PC[5a]C[5])(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P){2|H<1>}	C[5a](C[5a]C[5a]H)(PC[5a]C[5])(O[5a]C[5a]){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|H<1>,1|P<3>}	106.3250	0.214	2	106.3250	0.046	2	106.3250	0.046	2	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[5,6]N[6])(C[5a]C[5a]Pd)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>}	C[5a](C[6]C[5,6]N[6])(C[5a]C[5a]Pd)(O[5a]C[5a]){1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|Pd<4>,1|C<3>}	104.5100	0.000	1	104.5100	0.000	1	105.7493	0.471	12	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[6]C[5a,6]2)(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.5090	0.000	1	106.5090	0.000	1	105.7493	0.471	12	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	105.6060	0.000	1	106.0965	0.481	2	105.7493	0.471	12	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(O[5a]C[5a]){1|Cu<4>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.5870	0.000	1	106.0965	0.481	2	105.7493	0.471	12	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|O<2>,2|H<1>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a]){1|B<4>,1|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.0543	0.258	3	105.6997	0.385	7	105.7493	0.471	12	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|O<2>,2|H<1>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	105.9335	0.718	2	105.6997	0.385	7	105.7493	0.471	12	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|O<2>,2|H<1>}	C[5a](C[6]C[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	104.9340	0.000	2	105.6997	0.385	7	105.7493	0.471	12	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]N[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|N<2>,1|O<2>,2|H<1>}	C[5a](C[6]N[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a]){1|B<4>,1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	105.8820	0.000	1	105.8820	0.000	1	105.7493	0.471	12	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:Br-1:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Br)	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Br)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Br){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Br){1|C<3>,1|H<1>}	105.3663	0.367	3	105.3663	0.135	3	105.5663	0.088	7	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:Br-1:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Br)	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Br)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Br){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Br){1|C<3>,1|H<1>}	105.7163	0.126	4	105.7163	0.016	4	105.5663	0.088	7	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.3940	0.045	2	106.3940	0.002	2	105.8966	1.768	25	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]Pt)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|Pt<6>,1|C<3>,1|H<1>,1|N<2>}	C[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]Pt)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|Pt<6>,1|C<3>}	105.4060	0.000	1	105.4060	0.000	1	105.8966	1.768	25	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.0857	0.142	3	105.8385	0.336	8	105.8966	1.768	25	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	105.6590	1.302	2	105.8385	0.336	8	105.8966	1.768	25	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	105.5820	0.000	1	105.8385	0.336	8	105.8966	1.768	25	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	105.7755	0.545	2	105.8385	0.336	8	105.8966	1.768	25	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[6a]C[6,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[6a]C[6,6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	107.1850	0.000	1	107.1850	0.000	1	105.8966	1.768	25	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	105.3105	2.580	6	105.3105	6.659	6	105.8966	1.768	25	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,2|H<1>,2|N<2>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	105.8720	0.000	1	106.3710	0.389	4	105.8966	1.768	25	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.5775	0.909	2	106.3710	0.389	4	105.8966	1.768	25	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	106.4570	0.000	1	106.3710	0.389	4	105.8966	1.768	25	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a]O[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|O<2>,2|H<1>}	C[5a](C[6a]C[6a]O[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<3>,1|H<1>}	105.9933	0.324	3	105.9933	0.105	3	105.8966	1.768	25	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:C-3:O[5a]-2:	C[5a]-3:O[5a]-2:O-1:	O[5a](C[5a]C[5a]O)(C[5a]N[5a]C)	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(O)	O[5a](C[5a]C[5a]O)(C[5a]N[5a]C){1|Pt<4>,1|C<3>}	C[5a](N[5a]C[5a]Pt)(CC[5a]C[6a])(O[5a]C[5a]){1|C<3>,1|O<1>}	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(O){1|Pt<4>,1|C<3>}	107.7070	0.000	1	107.7070	0.000	1	107.7070	0.000	1	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:O-1:	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]O)	C[5a](N[5a]C[5a]Pd)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(O)	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]O){1|Pd<4>,3|C<3>}	C[5a](N[5a]C[5a]Pd)(C[6a]C[6a]2)(O[5a]C[5a]){1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(O){1|Pd<4>,1|C<3>}	107.1485	0.120	2	107.1485	0.014	2	107.1485	0.014	2	106.1375	0.829	186	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-2:	O[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<2>,4|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC){1|C<3>,1|H<1>}	106.7110	0.000	1	106.7110	0.000	1	106.7110	0.000	1	105.5556	1.215	42	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-2:	O[5a](C[5a]C[5a]2)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]N){1|C<2>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]2)(O[5a]C[5a]){1|C<2>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC){2|C<3>}	107.7700	0.139	2	107.7700	0.019	2	107.7700	0.019	2	105.5556	1.215	42	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]N[5a]C)(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2){1|C<2>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]N[5a]C)(O[5a]C[5a]){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|C<2>,2|H<1>,3|C<3>}	103.3640	0.580	2	103.3640	0.336	2	104.2678	0.782	5	105.5556	1.215	42	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2){1|O<2>,4|C<3>}	C[5a](C[5a]C[5a]O[5a])(C[5a]C[6a]N[5a])(O[5a]C[5a]){1|H<1>,5|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){2|H<1>,4|C<3>}	104.7700	0.096	2	104.7700	0.009	2	104.2678	0.782	5	105.5556	1.215	42	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]2){1|S<2>,4|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(O[5a]C[5a]){1|H<1>,5|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){2|H<1>,4|C<3>}	105.0710	0.000	1	105.0710	0.000	1	104.2678	0.782	5	105.5556	1.215	42	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-2:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CN)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<2>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|H<1>,1|O<2>,2|C<2>,2|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CN){2|C<3>}	107.4520	0.000	1	107.4520	0.000	1	107.4520	0.000	1	105.5556	1.215	42	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-2:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(NS)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[5])(O[5a]C[5a])(NS){1|H<1>,3|C<3>}	107.6050	0.000	1	107.6050	0.000	1	107.1310	0.449	2	105.5556	1.215	42	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-2:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NC)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NC){1|H<1>,3|C<3>}	106.6570	0.000	1	106.6570	0.000	1	107.1310	0.449	2	105.5556	1.215	42	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:O-2:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]O)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(OC)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]O){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(OC){1|C<3>,1|C<4>}	107.0495	0.015	2	107.0495	0.000	2	107.0495	0.000	2	105.5556	1.215	42	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:S-2:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(SC)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S){4|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(SC){2|C<3>}	107.5620	0.000	1	107.5620	0.000	1	107.5620	0.000	1	105.5556	1.215	42	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){5|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,5|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){2|H<1>,4|C<3>}	104.8420	0.000	1	104.8420	0.000	1	105.2077	0.245	26	105.5556	1.215	42	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,5|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){2|H<1>,4|C<3>}	105.3490	0.408	12	105.3490	0.166	12	105.2077	0.245	26	105.5556	1.215	42	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]N[5a]2)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|N<3>,4|C<3>}	C[5a](C[5a]N[5a]2)(C[6a]C[6a]2)(O[5a]C[5a]){1|N<2>,2|H<1>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	105.5920	0.000	1	105.5920	0.000	1	105.2077	0.245	26	105.5556	1.215	42	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){5|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){2|H<1>,4|C<3>}	104.7740	0.000	1	104.7740	0.000	1	105.2077	0.245	26	105.5556	1.215	42	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){3|C<3>,3|H<1>}	104.6780	0.103	2	105.0913	0.344	11	105.2077	0.245	26	105.5556	1.215	42	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){2|H<1>,4|C<3>}	104.9210	0.000	1	105.0913	0.344	11	105.2077	0.245	26	105.5556	1.215	42	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){3|C<3>,3|H<1>}	105.2159	0.648	8	105.0913	0.344	11	105.2077	0.245	26	105.5556	1.215	42	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]2)(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a])	O[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a]){5|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]2)(O[5a]C[5a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(O[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	105.0220	0.000	1	105.0220	0.000	1	105.0220	0.000	1	105.5556	1.215	42	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:O-2:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]O)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(OC)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]O){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(O[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(OC){1|C<3>,1|C<4>}	105.9490	0.000	1	105.9490	0.000	1	105.9490	0.000	1	105.5556	1.215	42	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)2	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){1|C<3>,1|H<1>}	108.9450	0.197	4	108.9450	0.039	4	107.4301	1.206	13	106.8878	4.661	63	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)2	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]C[6])	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]C[6]){1|C<3>,1|H<1>}	107.0970	0.000	1	107.0970	0.000	1	107.4301	1.206	13	106.8878	4.661	63	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)2	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]H)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5a]H){1|C<3>,1|H<1>}	106.7142	0.371	8	106.7142	0.138	8	107.4301	1.206	13	106.8878	4.661	63	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[6a]-3:O[5a]-2:	C[5a,6]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CC[6a]O)	O[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){2|C<3>,2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,4|C<3>,4|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CC[6a]O){1|C<4>,2|C<3>,2|H<1>}	107.1990	0.000	1	107.1990	0.000	1	107.1990	0.000	1	106.8878	4.661	63	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a])(CCH){1|O<1>,1|O<2>,2|C<3>}	108.9660	0.000	1	108.9660	0.000	1	108.9660	0.000	1	106.8878	4.661	63	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){1|C<3>,1|H<1>}	106.5580	0.310	5	106.5580	0.096	5	104.0682	37.272	6	106.8878	4.661	63	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHO)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHO){1|C<3>,1|H<1>}	91.6191	0.000	1	91.6191	0.000	1	104.0682	37.272	6	106.8878	4.661	63	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[5a]2)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]N){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO){1|C<3>,1|H<1>}	104.8260	0.313	3	104.8260	0.098	3	104.8260	0.098	3	106.8878	4.661	63	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){4|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCH){4|C<3>}	107.1290	0.000	1	107.1290	0.000	1	107.3111	0.300	26	106.8878	4.661	63	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(COO)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|Cl<1>,3|C<3>}	C[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(COO){1|Cl<1>,1|C<3>}	108.0780	0.000	1	108.0780	0.000	1	107.3111	0.300	26	106.8878	4.661	63	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCH){1|C<3>,1|H<1>}	106.9575	0.144	2	106.9575	0.021	2	107.3111	0.300	26	106.8878	4.661	63	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCO)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCO){1|H<1>,3|C<3>}	107.4320	0.000	1	107.4320	0.000	1	107.3111	0.300	26	106.8878	4.661	63	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(COO)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(COO){1|H<1>,3|C<3>}	106.9750	0.000	1	106.9750	0.000	1	107.3111	0.300	26	106.8878	4.661	63	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCH){1|C<3>,1|H<1>}	106.7490	0.000	1	106.7490	0.000	1	107.3111	0.300	26	106.8878	4.661	63	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){1|C<3>,1|H<1>}	106.8400	0.000	1	106.6050	0.059	4	107.3111	0.300	26	106.8878	4.661	63	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHN){1|C<3>,1|H<1>}	106.5267	0.226	3	106.6050	0.059	4	107.3111	0.300	26	106.8878	4.661	63	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNO)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNO){1|C<3>,1|H<1>}	106.5320	0.000	1	106.7535	0.098	2	107.3111	0.300	26	106.8878	4.661	63	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNO)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CNO){1|C<3>,1|H<1>}	106.9750	0.000	1	106.7535	0.098	2	107.3111	0.300	26	106.8878	4.661	63	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(COO)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(COO){1|C<3>,1|N<3>}	107.3585	0.227	2	107.7169	0.125	9	107.3111	0.300	26	106.8878	4.661	63	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(COO)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(COO){1|C<3>,1|N<3>}	107.8193	0.322	7	107.7169	0.125	9	107.3111	0.300	26	106.8878	4.661	63	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCO)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|O<2>,3|C<3>}	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCO){1|C<3>,1|O<2>}	108.1480	0.000	1	108.1480	0.000	1	107.3111	0.300	26	106.8878	4.661	63	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]O)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(O[5a]C[5a]){3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]O){1|C<3>,1|S<2>}	107.4277	0.134	3	107.4277	0.018	3	107.3111	0.300	26	106.8878	4.661	63	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NCH)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N){4|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NCH){2|C<3>}	107.9245	0.162	2	107.9245	0.026	2	107.0924	0.548	13	106.8878	4.661	63	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC[6a]C)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N){2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC[6a]C){1|C<3>,1|C<4>}	106.7980	0.000	1	106.7980	0.000	1	107.0924	0.548	13	106.8878	4.661	63	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NHH)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N){1|C<2>,1|C<4>,2|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NHH){1|C<3>,1|C<4>}	107.2462	0.679	6	107.2462	0.461	6	107.0924	0.548	13	106.8878	4.661	63	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NCC)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N){4|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NCC){4|C<3>}	107.3720	0.000	1	107.3720	0.000	1	107.0924	0.548	13	106.8878	4.661	63	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NC[6a]S)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NC[6a]S){1|C<3>,1|C<4>}	106.3430	0.000	1	106.3430	0.000	1	107.0924	0.548	13	106.8878	4.661	63	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NCS)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(O[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NCS){2|C<3>}	105.7760	0.000	1	105.7760	0.000	1	107.0924	0.548	13	106.8878	4.661	63	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC[6a]H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]N){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC[6a]H){1|C<3>,1|H<1>}	106.5860	0.000	1	106.5860	0.000	1	107.0924	0.548	13	106.8878	4.661	63	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5]C[5,5]C[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5]C[5,5]C[5])(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>,5|C<4>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	109.1750	0.000	1	109.1750	0.000	1	107.9909	1.491	8	107.5557	0.531	52	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5]C[5,5]C[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5]C[5,5]C[5])(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>,5|C<4>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHO){1|C<3>,1|H<1>}	108.7250	0.288	4	108.7250	0.083	4	107.9909	1.491	8	107.5557	0.531	52	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5]C[5,6a]C[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	107.4190	0.000	1	107.4190	0.000	1	107.9909	1.491	8	107.5557	0.531	52	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5]C[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){1|C<3>,1|O<2>,2|H<1>}	C[5a](C[5]C[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|H<1>,3|C<4>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	106.2165	0.067	2	106.2165	0.005	2	107.9909	1.491	8	107.5557	0.531	52	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[6a]-3:O[5a]-2:	C[5a,6]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[5,6])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){2|C<3>,2|C<4>}	C[5a](C[5a,6]C[5a,6]C[5,6])(C[6a]C[6a]2)(O[5a]C[5a]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3){1|H<1>,2|C<3>,2|C<4>}	107.9635	0.177	2	107.9635	0.032	2	108.0230	0.027	4	107.5557	0.531	52	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[6a]-3:O[5a]-2:	C[5a,6]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,4|C<3>,4|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3){1|C<4>,1|O<1>,2|C<3>}	107.9510	0.000	1	108.0825	0.035	2	108.0230	0.027	4	107.5557	0.531	52	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[6a]-3:O[5a]-2:	C[5a,6]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(O[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(O[5a]C[5a])(CH3){1|C<4>,2|C<3>,2|H<1>}	108.2140	0.000	1	108.0825	0.035	2	108.0230	0.027	4	107.5557	0.531	52	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(CC[6a]C[6])(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C)2{1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(CC[6a]C[6])(O[5a]C[5a]){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	107.2230	0.000	1	107.2230	0.000	1	107.2230	0.000	1	107.5557	0.531	52	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a,6a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO){1|C<3>,1|H<1>}	106.8810	0.000	1	106.8810	0.000	1	106.9925	0.025	2	107.5557	0.531	52	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]N)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]2)(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]N)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<3>,1|N<3>}	107.1040	0.000	1	107.1040	0.000	1	106.9925	0.025	2	107.5557	0.531	52	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC3)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){4|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CC3){2|C<3>}	107.9970	0.000	1	107.9970	0.000	1	107.4853	0.394	33	107.5557	0.531	52	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|C<4>}	107.9905	0.235	4	107.8165	0.106	6	107.4853	0.394	33	107.5557	0.531	52	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|C<4>}	107.4470	0.000	1	107.8165	0.106	6	107.4853	0.394	33	107.5557	0.531	52	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){4|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){2|C<3>}	107.4900	0.000	1	107.8165	0.106	6	107.4853	0.394	33	107.5557	0.531	52	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){4|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3){4|C<3>}	107.8490	0.000	1	107.8490	0.000	1	107.4853	0.394	33	107.5557	0.531	52	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CF3)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CF3){2|C<3>}	106.5245	0.288	2	106.5245	0.083	2	107.4853	0.394	33	107.5557	0.531	52	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(O[5a]C[5a]){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|C<4>}	107.3950	0.000	1	107.3950	0.000	1	107.4853	0.394	33	107.5557	0.531	52	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]HH)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]HH){2|C<3>}	107.2250	0.000	1	107.2250	0.000	1	107.4853	0.394	33	107.5557	0.531	52	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	106.7240	0.000	1	106.7240	0.000	1	107.4853	0.394	33	107.5557	0.531	52	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	107.0200	0.000	1	107.5810	0.629	2	107.4853	0.394	33	107.5557	0.531	52	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	108.1420	0.000	1	107.5810	0.629	2	107.4853	0.394	33	107.5557	0.531	52	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3){1|H<1>,1|N<2>,2|C<3>}	107.6270	0.000	1	107.6270	0.000	1	107.4853	0.394	33	107.5557	0.531	52	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	108.0900	0.000	1	108.0900	0.000	1	107.4853	0.394	33	107.5557	0.531	52	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]CH)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[5]CH){1|C<3>,1|H<1>}	106.8750	0.000	1	106.8750	0.000	1	107.4853	0.394	33	107.5557	0.531	52	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]2H)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]2H){1|C<3>,1|H<1>}	107.3490	0.000	1	107.3490	0.000	1	107.4853	0.394	33	107.5557	0.531	52	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]CH)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CC[6a]CH){1|C<3>,1|H<1>}	107.5550	0.000	1	107.5550	0.000	1	107.4853	0.394	33	107.5557	0.531	52	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	106.7470	0.168	3	106.7470	0.028	3	107.4853	0.394	33	107.5557	0.531	52	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){1|C<3>,1|H<1>}	106.7500	0.144	2	106.8237	0.027	3	107.4853	0.394	33	107.5557	0.531	52	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHN){1|C<3>,1|H<1>}	106.9710	0.000	1	106.8237	0.027	3	107.4853	0.394	33	107.5557	0.531	52	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(O[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	107.0750	0.000	1	107.0750	0.000	1	107.4853	0.394	33	107.5557	0.531	52	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH){1|C<3>,1|N<3>}	108.4150	0.000	1	108.4150	0.000	1	107.4853	0.394	33	107.5557	0.531	52	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(O[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|N<3>}	107.9820	0.000	1	108.3125	0.218	2	107.4853	0.394	33	107.5557	0.531	52	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,3|C<3>}	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<3>,1|N<2>}	108.6430	0.000	1	108.3125	0.218	2	107.4853	0.394	33	107.5557	0.531	52	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CH3){1|N<3>,3|C<3>}	108.1780	0.000	1	108.1780	0.000	1	107.4853	0.394	33	107.5557	0.531	52	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCHH)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|S<4>,3|C<3>}	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(CCHH){1|S<4>,3|C<3>}	107.8950	0.000	1	107.8950	0.000	1	107.4853	0.394	33	107.5557	0.531	52	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|S<4>,2|C<3>}	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<3>,1|S<4>}	108.3180	0.000	1	108.3180	0.000	1	107.4853	0.394	33	107.5557	0.531	52	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<3>,1|H<1>}	107.1635	0.077	4	107.1635	0.006	4	107.1635	0.006	4	107.5557	0.531	52	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C-3:C[5a]-3:O[5a]-2:	C-3:C[5a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C)2	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|H<1>}	107.1628	0.842	20	107.1628	0.709	20	107.1628	0.709	20	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C-3:C[5a]-3:O[5a]-2:	C[5a]-3:C-3:O[5a]-2:	O[5a](C[5a]C[5a]C)2	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(CC[6a]C[5])(O[5a]C[5a])	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](CC[5a]C[6a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(CC[6a]C[5])(O[5a]C[5a]){1|C<3>,1|H<1>}	106.6910	0.000	1	106.6910	0.000	1	106.6910	0.000	1	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[6a]-3:O[5a]-2:	C[5,5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5,5a]C[6a])2	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5,5a]C[6a])2{2|C<4>,4|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[5a](C[5,5a]C[5,5a]C[5])(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	108.4875	0.026	2	108.4875	0.001	2	109.0853	1.073	3	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5,5a]-3:C[6a]-3:O[5a]-2:	C[5,5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5,5a]C[6a])2	C[5a](C[5,5a]C[5,5a]S[5])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5,5a]C[5,5a]S[5])(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5,5a]C[6a])2{2|S<2>,4|C<3>}	C[5a](C[5,5a]C[5,5a]S[5])(C[6a]C[6a]2)(O[5a]C[5a]){1|H<1>,1|O<2>,1|S<2>,4|C<3>}	C[5a](C[5,5a]C[5,5a]S[5])(C[6a]C[6a]2)(O[5a]C[5a]){1|H<1>,1|O<2>,1|S<2>,4|C<3>}	110.2810	0.000	1	110.2810	0.000	1	109.0853	1.073	3	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[6a]-3:O[5a]-2:	C[5a,5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a,5a]C[6a])2	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a,5a]C[6a])2{2|S<2>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[6a]C[6a]2)(O[5a]C[5a]){1|H<1>,1|O<2>,1|S<2>,4|C<3>}	C[5a](C[5a,5a]C[5a,5a]S[5a])(C[6a]C[6a]2)(O[5a]C[5a]){1|H<1>,1|O<2>,1|S<2>,4|C<3>}	109.5920	0.000	1	109.5920	0.000	1	109.5920	0.000	1	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,6]-3:C[6a]-3:O[5a]-2:	C[5a,6]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a,6]C[6a])2	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a,6]C[6a])2{1|C<4>,1|N<2>,4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(O[5a]C[5a]){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	108.6740	0.000	1	108.6740	0.000	1	108.6740	0.000	1	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:O[5a]-2:	C[5a,6a]-3:C[5a]-3:O[5a]-2:	O[5a](C[5a]C[5a,6a]C[5a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O[5a])(O[5a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(O[5a]C[5a])	O[5a](C[5a]C[5a,6a]C[5a])2{1|O<2>,1|S<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O[5a])(O[5a]C[5a]){1|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(O[5a]C[5a]){2|H<1>,5|C<3>}	109.0050	0.000	1	109.0050	0.000	1	109.0050	0.000	1	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O[5a])(O[5a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]C[6a]){1|O<2>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O[5a])(O[5a]C[5a]){1|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){3|H<1>,5|C<3>}	108.9240	0.000	1	108.9240	0.000	1	108.9240	0.000	1	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a,6a]C[6a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a,6a]C[6a])2{6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,6|C<3>}	110.2870	0.000	1	110.2870	0.000	1	109.2974	0.358	5	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a,6a]C[6a])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a,6a]C[6a])2{6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){3|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){3|H<1>,5|C<3>}	109.0500	0.264	4	109.0500	0.070	4	109.2974	0.358	5	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C-3:O[5a]-2:	C[5a]-3:C-3:O[5a]-2:	O[5a](C[5a]C[5a]C)2	C[5a](C[5a]C[5a]H)(CC[6a]C[5])(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(CC[6a]C[5])(O[5a]C[5a])	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](C[5a]C[5a]H)(CC[6a]C[5])(O[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(CC[6a]C[5])(O[5a]C[5a]){1|C<3>,1|H<1>}	108.2185	0.204	2	108.2185	0.042	2	108.2185	0.042	2	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:O[5a]-2:	O[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a,6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a,6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]2)2{6|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a,6a]2)(O[5a]C[5a]){8|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5a]C[5a,6a]2)(O[5a]C[5a]){8|C<3>}	108.6640	0.000	1	108.6640	0.000	1	106.6364	0.936	14	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:O[5a]-2:	O[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]2)2{2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>,4|C<3>}	108.6300	0.000	1	108.6300	0.000	1	106.6364	0.936	14	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:O[5a]-2:	O[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]2)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(O[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	106.4695	0.152	2	106.4573	0.324	7	106.6364	0.936	14	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:O[5a]-2:	O[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]2)2{1|H<1>,2|O<2>,3|C<3>}	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(O[5a]C[5a]){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|H<1>,4|C<3>}	106.1467	0.128	4	106.4573	0.324	7	106.6364	0.936	14	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:O[5a]-2:	O[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]2)2{1|H<1>,2|O<2>,3|C<3>}	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(O[5a]C[5a]){5|C<3>}	107.6750	0.000	1	106.4573	0.324	7	106.6364	0.936	14	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:O[5a]-2:	O[5a](C[5a]C[5a]2)2	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]2)2{2|C<3>,2|H<1>,2|O<2>}	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	106.0828	0.312	5	106.0828	0.097	5	106.6364	0.936	14	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|H<1>,1|O<2>,4|C<3>}	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	107.5770	0.000	1	107.5770	0.000	1	107.0165	0.628	2	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]2){1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){3|C<3>,3|H<1>}	106.4560	0.000	1	106.4560	0.000	1	107.0165	0.628	2	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])2{6|C<3>}	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(O[5a]C[5a]){1|H<1>,1|N<3>,6|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,6|C<3>}	107.5810	0.000	1	107.5677	0.032	3	107.9380	0.410	56	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])2{6|C<3>}	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(O[5a]C[5a]){1|H<1>,1|O<2>,6|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,6|C<3>}	107.5610	0.252	2	107.5677	0.032	3	107.9380	0.410	56	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]F)(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])2{1|Br<1>,1|F<1>,4|C<3>}	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(O[5a]C[5a]){1|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]F)(C[6a]C[6a]2)(O[5a]C[5a]){1|Br<1>,2|H<1>,3|C<3>}	109.0130	0.000	1	109.0130	0.000	1	107.9380	0.410	56	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])2{1|Br<1>,1|I<1>,4|C<3>}	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(O[5a]C[5a]){1|I<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(O[5a]C[5a]){1|Br<1>,2|H<1>,3|C<3>}	108.5010	0.000	2	108.5010	0.000	2	107.9380	0.410	56	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])2{1|Br<1>,1|C<4>,4|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	108.2400	0.000	1	108.2400	0.000	1	107.9380	0.410	56	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])2{1|C<2>,5|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	108.8800	0.000	1	108.2322	0.569	9	107.9380	0.410	56	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])2{2|C<4>,4|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	107.6510	0.420	4	108.2322	0.569	9	107.9380	0.410	56	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])2{6|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	108.6515	0.718	4	108.2322	0.569	9	107.9380	0.410	56	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]F)(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])2{1|C<2>,1|F<1>,4|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]F)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<2>,2|H<1>,3|C<3>}	108.5270	0.000	1	108.5270	0.000	1	107.9380	0.410	56	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])2{1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	108.4540	0.000	1	108.4540	0.000	1	107.9380	0.410	56	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])2{1|S<2>,5|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	108.6250	0.000	1	108.6250	0.000	1	107.9380	0.410	56	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])2{6|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,6|C<3>}	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,6|C<3>}	107.7002	0.203	4	107.7002	0.041	4	107.9380	0.410	56	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])2{1|C<2>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){1|C<2>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	108.5520	0.193	3	107.7565	0.306	13	107.9380	0.410	56	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])2{1|C<4>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	107.2777	0.332	4	107.7565	0.306	13	107.9380	0.410	56	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])2{1|C<4>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){1|H<1>,2|C<4>,5|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	107.6650	0.000	1	107.7565	0.306	13	107.9380	0.410	56	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])2{6|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,6|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	107.6806	0.320	5	107.7565	0.306	13	107.9380	0.410	56	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])2{6|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,6|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,6|C<3>}	107.5925	0.074	2	107.5925	0.006	2	107.9380	0.410	56	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]F)(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])2{1|F<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){1|F<1>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]F)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	108.6560	0.000	1	108.6560	0.000	1	107.9380	0.410	56	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])2{1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){3|H<1>,5|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	107.9180	0.887	2	107.9180	0.786	2	107.9380	0.410	56	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])2{1|Br<1>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|Br<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(O[5a]C[5a]){3|C<3>,3|H<1>}	108.5513	0.966	3	108.5513	0.932	3	107.9380	0.410	56	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])2{1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){3|C<3>,3|H<1>}	107.3450	0.000	1	107.3450	0.000	1	107.9380	0.410	56	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])2{1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|Br<1>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){3|H<1>,5|C<3>}	107.5160	0.000	1	107.5460	0.002	2	107.9380	0.410	56	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])2{1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|H<1>,1|I<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(O[5a]C[5a]){3|H<1>,5|C<3>}	107.5760	0.000	1	107.5460	0.002	2	107.9380	0.410	56	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]F)(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])2{1|F<1>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|F<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]F)(C[6a]C[6a]2)(O[5a]C[5a]){3|C<3>,3|H<1>}	108.3510	0.000	1	108.3510	0.000	1	107.9380	0.410	56	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])2{2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	107.8180	0.000	1	107.5292	0.492	5	107.9380	0.410	56	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])2{2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){2|H<1>,4|C<3>}	108.6110	0.000	1	107.5292	0.492	5	107.9380	0.410	56	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])2{2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){3|C<3>,3|H<1>}	107.0723	0.210	3	107.5292	0.492	5	107.9380	0.410	56	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])2{1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(O[5a]C[5a]){3|C<3>,3|H<1>}	107.6905	0.551	2	107.6905	0.303	2	107.9380	0.410	56	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])2	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])2{1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(O[5a]C[5a]){1|Br<1>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	107.0900	0.000	1	107.0900	0.000	1	107.9380	0.410	56	107.7363	0.998	107	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	3:4:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[5a]-3:C[6]-4:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6]){3|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a]){1|H<1>,5|C<3>}	108.0300	0.000	1	108.0300	0.000	1	108.0300	0.000	1	108.0300	0.000	1	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:3:2:	4:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:O[5a]-2:	C[6]-4:C[5a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6])	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a])	C[5a](C[6]C[6a]N[6]2)(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C[6]){1|H<1>,2|N<3>,4|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(O[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[6]C[6a]N[6]2)(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>,6|C<3>}	107.3920	0.000	1	107.3920	0.000	1	107.3920	0.000	1	107.3920	0.000	1	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[3]-4:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[3])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[3]C[3]2H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[3])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[3]C[3]2H)(O[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.3200	0.000	1	106.3200	0.000	1	106.3200	0.000	1	106.1289	0.166	24	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[4]-4:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[4]C[4]2H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[4]C[4]2H)(O[5a]C[5a]){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.4765	0.084	2	106.4105	0.024	6	106.4105	0.024	6	106.1289	0.166	24	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[4]-4:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[4]C[4]2H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[4]C[4]2H)(O[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.3775	0.181	4	106.4105	0.024	6	106.4105	0.024	6	106.1289	0.166	24	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-4:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5]C[5]2C)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5]C[5]2C)(O[5a]C[5a]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.6680	0.000	1	106.6680	0.000	1	106.2144	0.092	5	106.1289	0.166	24	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-4:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.3540	0.000	1	106.1010	0.036	4	106.2144	0.092	5	106.1289	0.166	24	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-4:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(O[5a]C[5a]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	105.9520	0.000	1	106.1010	0.036	4	106.2144	0.092	5	106.1289	0.166	24	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-4:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[5]C[5]2H)(O[5a]C[5a]){1|N<3>,3|C<3>,4|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.0490	0.133	2	106.1010	0.036	4	106.2144	0.092	5	106.1289	0.166	24	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-4:O[5a]-2:	C[5a]-3:O[5a]-2:Br-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]Br)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Br)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]Br){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a]){1|Br<1>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Br){1|C<4>,1|H<1>}	105.5970	0.000	1	105.5970	0.000	1	105.5970	0.000	1	106.1289	0.166	24	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-4:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a]){3|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.2040	0.000	1	105.7218	0.134	4	105.8514	0.184	9	106.1289	0.166	24	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-4:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	105.4520	0.146	2	105.7218	0.134	4	105.8514	0.184	9	106.1289	0.166	24	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-4:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a]){1|C<4>,2|C<3>,5|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	105.7790	0.000	1	105.7218	0.134	4	105.8514	0.184	9	106.1289	0.166	24	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-4:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6]N[6]2H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){2|N<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[6]N[6]2H)(O[5a]C[5a]){3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.7660	0.000	1	106.7660	0.000	1	105.8514	0.184	9	106.1289	0.166	24	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-4:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6]O[6]2H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){2|O<2>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[6]O[6]2H)(O[5a]C[5a]){2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	105.7525	0.204	4	105.7525	0.042	4	105.8514	0.184	9	106.1289	0.166	24	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:4:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5a]-3:P-4:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(PC[5a]ClRu)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P){2|H<1>}	C[5a](C[5a]C[5a]H)(PC[5a]ClRu)(O[5a]C[5a]){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|H<1>,1|P<4>}	106.4895	0.298	2	106.4895	0.089	2	106.4895	0.089	2	106.1289	0.166	24	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:4:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[3]-4:O[5a]-2:	C[5a]-3:O[5a]-2:S-2:	O[5a](C[5a]C[5a]C[3])(C[5a]C[5a]S)	C[5a](C[5a]C[5a]C)(C[3]C[3]2H)(O[5a]C[5a])	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(SC)	O[5a](C[5a]C[5a]C[3])(C[5a]C[5a]S){1|C<3>,1|H<1>,3|C<4>}	C[5a](C[5a]C[5a]C)(C[3]C[3]2H)(O[5a]C[5a]){1|C<3>,1|S<2>,4|H<1>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(SC){2|C<3>,2|C<4>}	106.8790	0.000	1	106.8790	0.000	1	106.8790	0.000	1	106.8790	0.000	1	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:4:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-4:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a]){1|C<2>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO){1|C<4>,1|H<1>}	105.0110	0.000	1	105.0105	0.045	4	105.0105	0.045	4	105.0105	0.045	4	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:4:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-4:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a]){1|H<1>,1|N<3>,2|C<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO){1|C<4>,1|H<1>}	104.8190	0.000	1	105.0105	0.045	4	105.0105	0.045	4	105.0105	0.045	4	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:4:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-4:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N){2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO){1|C<4>,1|H<1>}	105.1060	0.284	2	105.0105	0.045	4	105.0105	0.045	4	105.0105	0.045	4	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:4:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-4:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C){2|C<4>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a]){1|N<3>,1|W<7>,2|C<4>,4|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	106.8410	0.000	1	107.0000	0.051	2	106.7573	0.202	3	106.7573	0.202	3	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:4:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-4:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C){2|C<4>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[6]C[6]2H)(O[5a]C[5a]){1|W<7>,3|C<4>,4|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	107.1590	0.000	1	107.0000	0.051	2	106.7573	0.202	3	106.7573	0.202	3	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:4:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5a]-3:C[6]-4:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6]O[6]2H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]C){2|O<2>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[6]O[6]2H)(O[5a]C[5a]){1|H<1>,3|C<4>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHHO){1|C<4>,1|H<1>}	106.2720	0.000	1	106.2720	0.000	1	106.7573	0.202	3	106.7573	0.202	3	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:4:2:	3:4:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5]-4:O[5a]-2:	C[5a]-3:C[5]-4:O[5a]-2:	O[5a](C[5a]C[5a]C[5])2	C[5a](C[5a]C[5a]H)(C[5]C[5]2C)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(C[5]C[5]2C)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[5a](C[5a]C[5a]H)(C[5]C[5]2C)(O[5a]C[5a]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5a](C[5a]C[5a]H)(C[5]C[5]2C)(O[5a]C[5a]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	106.7550	0.000	1	106.7550	0.000	1	106.7550	0.000	1	106.7550	0.000	1	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	3:4:2:	4:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[4]-4:O[5a]-2:	C[3]-4:C[5a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[3])(C[5a]C[5a]C[4])	C[5a](C[5a]C[5a]C)(C[4]C[4]2H)(O[5a]C[5a])	C[5a](C[3]C[3]O[3]H)(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[3])(C[5a]C[5a]C[4]){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[5a](C[5a]C[5a]C)(C[4]C[4]2H)(O[5a]C[5a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5a](C[3]C[3]O[3]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,3|C<4>}	107.7260	0.000	1	107.7260	0.000	1	107.7260	0.000	1	107.7260	0.000	1	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[3]-4:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]N[5a]C[3])(C[5a]N[5a]C)	C[5a](C[3]C[3]2H)(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHH)	O[5a](C[5a]N[5a]C[3])(C[5a]N[5a]C){1|H<1>,2|C<4>}	C[5a](C[3]C[3]2H)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,4|H<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(CCHH){1|C<4>}	103.3260	0.205	2	103.3260	0.042	2	103.3260	0.042	2	103.2565	0.045	4	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:2:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[6]-4:N[5a]-2:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C)	C[5a](C[6]C[6]2C)(N[5a]N[5a])(O[5a]C[5a])	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3)	O[5a](C[5a]N[5a]C[6])(C[5a]N[5a]C){3|C<4>}	C[5a](C[6]C[6]2C)(N[5a]N[5a])(O[5a]C[5a]){3|H<1>,4|C<4>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3){1|C<4>}	103.1870	0.269	2	103.1870	0.072	2	103.1870	0.072	2	103.2565	0.045	4	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:2:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-4:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[6]O[6]H)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]N[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|O<2>,2|H<1>}	C[5a](C[6]C[6]O[6]H)(N[5a]C[5a])(O[5a]C[5a]){2|H<1>,4|C<4>}	C[5a](C[5a]N[5a]H)(O[5a]C[5a])(H){1|C<4>}	104.6540	0.000	1	104.6540	0.000	1	104.6540	0.000	1	104.6540	0.000	1	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[3]-4:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:O-2:	O[5a](C[5a]N[5a]C[3])(C[5a]C[5a]O)	C[5a](C[3]C[3]2H)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(OC)	O[5a](C[5a]N[5a]C[3])(C[5a]C[5a]O){1|C<3>,1|H<1>,2|C<4>}	C[5a](C[3]C[3]2H)(N[5a]C[5a])(O[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(OC){1|C<4>,2|C<3>}	104.5790	0.000	1	104.5790	0.000	1	104.5790	0.000	1	102.8839	0.753	9	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[3x6]-4:N[5a]-2:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[3x6]N[5a])(C[5a]C[6a]N[5a])	C[5a](C[3x6]C[6,6]3)(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[3x6]N[5a])(C[5a]C[6a]N[5a]){2|C<3>,3|C<4>}	C[5a](C[3x6]C[6,6]3)(N[5a]N[5a])(O[5a]C[5a]){1|C<3>,3|C<4>,6|H<1>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	102.6003	0.602	3	102.6003	0.363	3	102.6003	0.363	3	102.8839	0.753	9	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5]-4:N[5a]-2:O[5a]-2:	C[6a]-3:N[5a]-2:O[5a]-2:	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[5])	C[5a](C[5]C[5]2Fe)(N[5a]N[5a])(O[5a]C[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	O[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]C[5]){1|Fe<10>,2|C<3>,2|C<4>}	C[5a](C[5]C[5]2Fe)(N[5a]N[5a])(O[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	102.4087	0.235	4	102.4087	0.055	4	102.4087	0.055	4	102.8839	0.753	9	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[6]-4:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:O-2:	O[5a](C[5a]N[5a]C[6])(C[5a]C[5a]O)	C[5a](C[6]C[6,6a]N[6]H)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(OC)	O[5a](C[5a]N[5a]C[6])(C[5a]C[5a]O){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[6]C[6,6a]N[6]H)(N[5a]C[5a])(O[5a]C[5a]){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(OC){1|C<4>,2|C<3>}	103.9400	0.000	1	103.9400	0.000	1	103.9400	0.000	1	102.8839	0.753	9	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:2:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6]-4:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]N[5a]C[6])(C[5a]C[5a]N)	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(NHH)	O[5a](C[5a]N[5a]C[6])(C[5a]C[5a]N){1|C<2>,1|H<1>,2|C<4>}	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]C[5a]){1|C<2>,1|N<3>,2|C<4>,4|H<1>}	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(NHH){1|C<4>}	105.4010	0.000	1	105.4010	0.000	1	105.4010	0.000	1	105.4010	0.000	1	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:2:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[6]-4:N[5a]-2:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C)	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CC3)	O[5a](C[5a]N[5a]C[6])(C[5a]C[5a]C){1|C<3>,1|H<1>,2|C<4>}	C[5a](C[6]C[6]2H)(N[5a]C[5a])(O[5a]C[5a]){1|C<3>,3|C<4>,4|H<1>}	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(CC3){1|C<4>,2|C<3>}	105.3200	0.000	1	105.3200	0.000	1	105.3200	0.000	1	105.3200	0.000	1	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	2:2:4:	C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:O[5a]-2:	N[5a]-2:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[5])(C[5a]N[5a]C)	C[5a](C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]C)(O[5a]C[5a])	C[5a](N[5a]C[5a])(O[5a]C[5a])(CCHN)	O[5a](C[5a]C[5a]C[5])(C[5a]N[5a]C){4|C<3>}	C[5a](C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]C)(O[5a]C[5a]){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[5a](N[5a]C[5a])(O[5a]C[5a])(CCHN){1|C<3>,1|C<4>}	105.0560	0.000	1	105.0560	0.000	1	105.0560	0.000	1	105.0560	0.000	1	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H)	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]H){2|H<1>}	C[5a](CC[5a]C[6a]H)(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	104.4700	0.000	1	104.4700	0.000	1	104.4700	0.000	1	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[3]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[3])(C[5a]C[5a]H)	C[5a](C[3]N[3]P[3]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[3])(C[5a]C[5a]H){1|N<3>,1|P<4>,3|H<1>}	C[5a](C[3]N[3]P[3]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|W<6>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.7780	0.000	1	106.7780	0.000	1	106.7780	0.000	1	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[4]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H)	C[5a](C[4]C[4,6]C[4]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](C[4]C[4,6]C[4]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.5105	0.228	2	106.5105	0.052	2	106.4037	0.060	3	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[4]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H)	C[5a](C[4]C[4]N[4]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[4])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|H<1>}	C[5a](C[4]C[4]N[4]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.1900	0.000	1	106.1900	0.000	1	106.4037	0.060	3	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5,5]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:Br-1:	O[5a](C[5a]C[5,5]C[5a])(C[5a]C[5a]Br)	C[5a](C[5,5]C[5,5]C[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Br)	O[5a](C[5a]C[5,5]C[5a])(C[5a]C[5a]Br){1|O<2>,2|C<4>,2|H<1>}	C[5a](C[5,5]C[5,5]C[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|Br<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(Br){1|C<4>,1|H<1>}	105.8580	0.000	1	105.8580	0.000	1	105.8580	0.000	1	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5,5]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5,5]C[5a])(C[5a]C[5a]H)	C[5a](C[5,5]C[5,5,6]C[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5,5]C[5a])(C[5a]C[5a]H){1|O<2>,2|C<4>,2|H<1>}	C[5a](C[5,5]C[5,5,6]C[5]O[5])(C[5a]C[5a]H)(O[5a]C[5a]){4|C<4>,5|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.6960	0.000	1	106.6960	0.000	1	106.6960	0.000	1	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5]C[3,5]S[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|S<2>,3|H<1>}	C[5a](C[5]C[3,5]S[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>,4|C<4>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	105.7890	0.000	1	105.7890	0.000	1	105.8702	0.773	19	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5]C[5,5]2H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](C[5]C[5,5]2H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	105.8280	0.000	1	105.8280	0.000	1	105.8702	0.773	19	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5]C[5,5]N[5,5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|H<1>}	C[5a](C[5]C[5,5]N[5,5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,3|C<4>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.5140	0.256	2	106.5140	0.066	2	105.8702	0.773	19	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|H<1>}	C[5a](C[5]C[5,5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|P<4>,2|H<1>,3|C<4>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.3590	0.000	1	106.3590	0.000	1	105.8702	0.773	19	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](C[5]C[5,6]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	105.0610	0.000	1	105.0610	0.000	1	105.8702	0.773	19	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5]C[5,6a]C[5]2)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){2|H<1>,3|C<3>}	C[5a](C[5]C[5,6a]C[5]2)(C[5a]C[5a]H)(O[5a]C[5a]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	107.1490	0.000	1	107.1490	0.000	1	105.8702	0.773	19	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5]C[5,6a]N[5]O)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5a](C[5]C[5,6a]N[5]O)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.0840	0.000	1	106.0840	0.000	1	105.8702	0.773	19	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|H<1>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	103.3840	0.000	1	105.7408	0.982	8	105.8702	0.773	19	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|H<1>}	C[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|N<2>,2|C<3>,4|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.0774	0.296	7	105.7408	0.982	8	105.8702	0.773	19	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|O<2>,3|H<1>}	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|O<2>,2|C<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	105.8100	0.000	1	104.9540	1.465	2	105.8702	0.773	19	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|O<2>,3|H<1>}	C[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){3|C<4>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	104.0980	0.000	1	104.9540	1.465	2	105.8702	0.773	19	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5]N[5]O[5]C)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[5a](C[5]N[5]O[5]C)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.4010	0.000	1	106.4010	0.000	1	105.8702	0.773	19	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6,6]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[6,6]C[5a])(C[5a]C[5a]H)	C[5a](C[6,6]C[5,5,6,6]N[6,6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[6,6]C[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|H<1>}	C[5a](C[6,6]C[5,5,6,6]N[6,6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|P<4>,2|H<1>,4|C<4>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.5490	0.000	1	106.5490	0.000	1	105.7905	1.151	2	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6,6]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[6,6]C[5a])(C[5a]C[5a]H)	C[5a](C[6,6]C[6,6]N[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[6,6]C[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5a](C[6,6]C[6,6]N[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,3|C<4>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	105.0320	0.000	1	105.0320	0.000	1	105.7905	1.151	2	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.0070	0.000	1	105.9537	1.210	3	106.1711	1.140	34	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](C[6]C[5,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,2|C<4>,4|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	105.9270	1.554	2	105.9537	1.210	3	106.1711	1.140	34	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[5,6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|H<1>}	C[5a](C[6]C[5,6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.7370	0.000	1	106.5465	0.073	2	106.1711	1.140	34	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[5,6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|H<1>}	C[5a](C[6]C[5,6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.3560	0.000	1	106.5465	0.073	2	106.1711	1.140	34	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[5a,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[6]C[5a,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){3|C<3>,4|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	105.8260	0.000	1	105.8260	0.000	1	106.1711	1.140	34	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[5a,6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,3|H<1>}	C[5a](C[6]C[5a,6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	105.8270	0.000	1	103.2600	13.179	2	106.1711	1.140	34	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[5a,6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,3|H<1>}	C[5a](C[6]C[5a,6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	100.6930	0.000	1	103.2600	13.179	2	106.1711	1.140	34	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[6,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[6]C[6,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.1360	0.000	1	106.1335	0.000	2	106.1711	1.140	34	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[6,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](C[6]C[6,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.1310	0.000	1	106.1335	0.000	2	106.1711	1.140	34	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	105.5730	0.000	1	105.9355	0.263	2	106.1711	1.140	34	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){3|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.2980	0.000	1	105.9355	0.263	2	106.1711	1.140	34	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|N<3>,3|H<1>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.7960	0.000	1	106.5580	0.076	15	106.1711	1.140	34	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|H<1>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.9710	0.000	1	106.5580	0.076	15	106.1711	1.140	34	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|H<1>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,5|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.2630	0.000	1	106.5580	0.076	15	106.1711	1.140	34	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|H<1>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,2|C<4>,4|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.4750	0.000	1	106.5580	0.076	15	106.1711	1.140	34	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|H<1>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,4|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.6295	0.391	2	106.5580	0.076	15	106.1711	1.140	34	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|H<1>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.6985	0.346	2	106.5580	0.076	15	106.1711	1.140	34	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|H<1>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|S<4>,2|C<4>,4|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.3555	0.008	2	106.5580	0.076	15	106.1711	1.140	34	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|H<1>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.4665	0.317	4	106.5580	0.076	15	106.1711	1.140	34	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|H<1>}	C[5a](C[6]C[6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){3|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.6320	0.000	1	106.5580	0.076	15	106.1711	1.140	34	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|O<2>,3|H<1>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.3530	0.000	1	106.4652	0.056	4	106.1711	1.140	34	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|O<2>,3|H<1>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){2|C<4>,4|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.5027	0.276	3	106.4652	0.056	4	106.1711	1.140	34	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]N[5,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|H<1>}	C[5a](C[6]N[5,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.0200	0.000	1	106.0200	0.000	1	106.1711	1.140	34	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]N[5,6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){2|N<3>,3|H<1>}	C[5a](C[6]N[5,6]N[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	105.7520	0.000	1	105.7520	0.000	1	106.1711	1.140	34	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[6]N[6,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|N<3>,3|H<1>}	C[5a](C[6]N[6,6]C[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|C<4>,1|H<1>}	106.3760	0.000	1	106.3760	0.000	1	106.1711	1.140	34	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	P-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	C[5a](PC[5a]C[5]Au)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P){2|H<1>}	C[5a](PC[5a]C[5]Au)(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|H<1>,1|P<4>}	105.8760	0.107	2	105.8760	0.012	2	106.1727	0.684	16	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	P-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	C[5a](PC[5a]C[5]Fe)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P){2|H<1>}	C[5a](PC[5a]C[5]Fe)(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|H<1>,1|P<4>}	106.1990	0.659	2	106.1990	0.434	2	106.1727	0.684	16	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	P-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	C[5a](PC[5a]C[5]Pd)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P){2|H<1>}	C[5a](PC[5a]C[5]Pd)(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|H<1>,1|P<4>}	105.9047	0.528	6	105.9047	0.279	6	106.1727	0.684	16	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	P-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	C[5a](PC[5a]C[6a]C)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P){2|H<1>}	C[5a](PC[5a]C[6a]C)(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|H<1>,1|P<4>}	106.9620	1.267	4	106.9620	1.605	4	106.1727	0.684	16	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	P-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P)	C[5a](PC[5a]C[6a]Pd)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]C[5a]H)(C[5a]C[5a]P){2|H<1>}	C[5a](PC[5a]C[6a]Pd)(C[5a]C[5a]H)(O[5a]C[5a]){2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|H<1>,1|P<4>}	105.6685	0.009	2	105.6685	0.000	2	106.1727	0.684	16	106.0860	0.887	78	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:O-2:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]O)	C[5a](C[5]C[5]N[5]C)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(OC)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](C[5]C[5]N[5]C)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(OC){1|C<4>,1|H<1>}	105.3080	0.000	1	105.3080	0.000	1	105.3080	0.000	1	105.3080	0.000	1	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-3:	O[5a](C[5a]C[5a]C)2	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHO)	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CHO){1|C<4>,1|H<1>}	106.5660	0.000	1	106.5660	0.000	1	106.5660	0.000	1	105.1633	0.962	4	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]N)	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]N){1|C<4>,1|N<3>,3|H<1>}	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO){1|C<4>,1|H<1>}	104.7405	0.501	2	104.7405	0.251	2	104.7405	0.251	2	105.1633	0.962	4	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:3:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:N-3:	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N)	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO)	O[5a](C[5a]C[5a]C[6])(C[5a]C[5a]N){1|C<4>,1|O<2>,3|H<1>}	C[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NOO){1|C<4>,1|H<1>}	104.6060	0.000	1	104.6060	0.000	1	104.6060	0.000	1	105.1633	0.962	4	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[3]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[3])(C[5a]C[5a]C)	C[5a](C[3]C[3]O[3]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH)	O[5a](C[5a]C[5a]C[3])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5a](C[3]C[3]O[3]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,3|C<4>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	107.4735	0.315	2	107.4735	0.099	2	107.5080	0.053	3	107.0302	0.217	13	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[3]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[3])(C[5a]C[5a]C)	C[5a](C[3]C[6a]C[3]N[3])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C[3])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[3]C[6a]C[3]N[3])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	107.5770	0.000	1	107.5770	0.000	1	107.5080	0.053	3	107.0302	0.217	13	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5]C[5]2Ru)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){1|Ru<8>,2|C<4>,2|H<1>}	C[5a](C[5]C[5]2Ru)(C[5a]C[5a]H)(O[5a]C[5a]){1|H<1>,5|C<4>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	106.5850	0.000	1	106.5850	0.000	1	107.0488	0.149	6	107.0302	0.217	13	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5]C[6a]C[5]2)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5]C[6a]C[5]2)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	107.4950	0.000	1	107.4950	0.000	1	107.0488	0.149	6	107.0302	0.217	13	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5]C[6a]N[5]2)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){1|H<1>,2|C<3>,2|N<3>}	C[5a](C[5]C[6a]N[5]2)(C[5a]C[5a]H)(O[5a]C[5a]){1|N<3>,2|C<4>,5|C<3>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	107.4080	0.000	1	107.4080	0.000	1	107.0488	0.149	6	107.0302	0.217	13	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C[5])(C[5a]C[5a]C){1|C<4>,1|N<3>,3|H<1>}	C[5a](C[5]N[5,6]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|C<4>,1|H<1>}	106.9350	0.286	3	106.9350	0.082	3	107.0488	0.149	6	107.0302	0.217	13	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:2:4:	C[5a]-3:C[5a]-3:	P-4:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:C-4:	O[5a](C[5a]C[5a]C)(C[5a]C[5a]P)	C[5a](PC[5a]C[5]Pt)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3)	O[5a](C[5a]C[5a]C)(C[5a]C[5a]P){2|H<1>}	C[5a](PC[5a]C[5]Pt)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(CH3){1|H<1>,1|P<4>}	106.6437	0.397	4	106.6437	0.158	4	106.6437	0.158	4	107.0302	0.217	13	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5,5,6]-4:C[5a]-3:O[5a]-2:	C[5a]-3:C[5a]-3:O[5a]-2:	O[5a](C[5a]C[5,5,6]C[5a])(C[5a]C[5a]2)	C[5a](C[5,5,6]C[5,5,6]C[5,6]O[5,5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5,5,6]C[5a])(C[5a]C[5a]2){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5a](C[5,5,6]C[5,5,6]C[5,6]O[5,5])(C[5a]C[5a]H)(O[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	105.3710	0.000	1	105.3710	0.000	1	105.3710	0.000	1	105.3710	0.000	1	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	4:3:2:	C[5a]-3:C[5a]-3:	C-4:C[5a]-3:O[5a]-2:	C-4:C[5a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C)2	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]C)2{2|H<1>}	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](CC[6a]C[5]H)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,1|H<1>}	107.3060	0.068	2	107.3060	0.005	2	107.3060	0.005	2	106.9356	0.309	8	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	4:3:2:	C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5]-4:C[5a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[5])2	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[5])2{2|Fe<10>,2|H<1>,4|C<4>}	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(O[5a]C[5a]){3|C<4>,3|H<1>}	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(O[5a]C[5a]){3|C<4>,3|H<1>}	106.6730	0.000	1	106.6730	0.000	1	106.6730	0.000	1	106.9356	0.309	8	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	4:3:2:	C[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:O[5a]-2:	C[6]-4:C[5a]-3:O[5a]-2:	O[5a](C[5a]C[5a]C[6])2	C[5a](C[6]C[5a]C[6]2)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[6]C[5a]C[6]2)(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]C[6])2{2|C<3>,2|H<1>,4|C<4>}	C[5a](C[6]C[5a]C[6]2)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5a](C[6]C[5a]C[6]2)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	107.4180	0.123	2	107.4180	0.015	2	107.4180	0.015	2	106.9356	0.309	8	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	4:3:2:	4:3:2:	C[5a]-3:C[5a]-3:	P-4:C[5a]-3:O[5a]-2:	P-4:C[5a]-3:O[5a]-2:	O[5a](C[5a]C[5a]P)2	C[5a](PC[5a]C[6a]O)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](PC[5a]C[6a]O)(C[5a]C[5a]H)(O[5a]C[5a])	O[5a](C[5a]C[5a]P)2{2|H<1>}	C[5a](PC[5a]C[6a]O)(C[5a]C[5a]H)(O[5a]C[5a]){1|H<1>,1|P<4>}	C[5a](PC[5a]C[6a]O)(C[5a]C[5a]H)(O[5a]C[5a]){1|H<1>,1|P<4>}	106.4547	0.566	3	106.4547	0.320	3	106.4547	0.320	3	106.9356	0.309	8	105.8161	3.124	2105	105.7736	2.458	3479
537	727	727	5:SP2_SP2_SP2	O[5a]	C[5a]	C[5a]	3:3:	7:3:2:	3:2:1:	C[5a]-3:C[5a]-3:	Nb[3,3x6]-7:C[5a]-3:O[5a]-2:	C[5a]-3:O[5a]-2:H-1:	O[5a](C[5a]Nb[3,3x6]C[5a])(C[5a]C[5a]H)	C[5a](Nb[3,3x6]N[5,6,6]3C[3]3)(C[5a]C[5a]H)(O[5a]C[5a])	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H)	O[5a](C[5a]Nb[3,3x6]C[5a])(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>,3|N<3>}	C[5a](Nb[3,3x6]N[5,6,6]3C[3]3)(C[5a]C[5a]H)(O[5a]C[5a]){3|C<3>,3|H<1>,3|N<3>,4|C<4>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(H){1|Nb<7>,1|H<1>}	107.6580	0.000	1	107.6580	0.000	1	107.6580	0.000	1	107.6580	0.000	1	105.8161	3.124	2105	105.7736	2.458	3479