976	474	885	5:SP3_SP-NON_SP3	O[5]	C[5]	Ga[5]	4:4:	3:2:4:1:	2:2:4:4:	Ga[5]-4:C[5]-4:	C[5]-3:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:C-4:C-4:	O[5](Ga[5]O[5]CC)(C[5]C[5]CH)	C[5](C[5]O[5]O)(O[5]Ga[5])(CH3)(H)	Ga[5](O[5]C[5])2(CH3)2	O[5](Ga[5]O[5]CC)(C[5]C[5]CH){1|O<1>}	C[5](C[5]O[5]O)(O[5]Ga[5])(CH3)(H){2|C<4>}	Ga[5](O[5]C[5])2(CH3)2{1|C<4>,1|H<1>,1|O<1>}	110.1230	0.000	1	110.1230	0.000	1	110.1230	0.000	1	110.1230	0.000	1	110.1230	0.000	1	110.1230	0.000	1
976	474	888	5:SP2_SP2_SP3	O[5]	C[5]	Se[5,5]	3:4:	3:2:4:4:	3:2:2:	Se[5,5]-3:C[5]-4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,5,6a]-3:O[5]-2:O[5]-2:	O[5](Se[5,5]C[5,5,6a]O[5])(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]Se[5,5])(CCFF)2	Se[5,5](C[5,5,6a]C[5,6a]2)(O[5]C[5])2	O[5](Se[5,5]C[5,5,6a]O[5])(C[5]C[5,6a]CC){1|C<4>,2|C<3>}	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]Se[5,5])(CCFF)2{1|H<1>,1|O<2>,2|C<3>}	Se[5,5](C[5,5,6a]C[5,6a]2)(O[5]C[5])2{2|C<3>,4|C<4>}	114.2245	0.108	2	114.2245	0.012	2	114.2245	0.012	2	114.2245	0.012	2	114.2245	0.012	2	114.2245	0.012	2
976	474	891	5:SP2_SP2_SP3	O[5]	C[5]	S[5]	4:2:	3:2:4:4:	3:2:	C[5]-4:S[5]-2:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:O[5]-2:	O[5](C[5]C[5,6a]CC)(S[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]S[5])(CCFF)2	S[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])	O[5](C[5]C[5,6a]CC)(S[5]C[5,6a]){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]S[5])(CCFF)2{1|H<1>,2|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5]){2|C<3>,3|C<4>}	114.3585	0.248	2	114.3585	0.062	2	114.3585	0.062	2	114.3585	0.062	2	114.3585	0.062	2	114.3585	0.062	2
976	474	894	5:SP3_SP3_SPD6	O[5]	C[5]	P[5,5]	6:4:	3:2:4:4:	3:3:2:2:1:1:	P[5,5]-6:C[5]-4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:H-1:H-1:	O[5](P[5,5]C[5,6a]2O[5]HH)(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CF3)2	P[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(H)2	O[5](P[5,5]C[5,6a]2O[5]HH)(C[5]C[5,6a]CC){1|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5,5])(CF3)2{1|O<2>,3|C<3>,3|H<1>}	P[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2(H)2{2|H<1>,4|C<3>,4|C<4>}	116.6400	1.073	5	116.6400	1.151	5	116.6400	1.151	5	116.6400	1.151	5	116.6400	1.151	5	116.6400	1.151	5
976	474	905	5:SP3_SP3_SPD5	O[5]	C[5]	I[5]	5:4:	3:2:4:4:	3:2:1:1:1:	I[5]-5:C[5]-4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:O[5]-2:F-1:F-1:F-1:	O[5](I[5]C[5,6a]F3)(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CH3)2	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(F)3	O[5](I[5]C[5,6a]F3)(C[5]C[5,6a]CC){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(CH3)2{1|H<1>,2|C<3>,3|F<1>}	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(F)3{1|H<1>,2|C<3>,2|C<4>}	118.1660	0.000	1	118.1660	0.000	1	118.1660	0.000	1	118.1660	0.000	1	118.1660	0.000	1	118.1660	0.000	1
976	474	928	5:SP3_SP3_SPD6	O[5]	C[5]	Si[3x5]	6:4:	2:3:1:1:	2:2:2:2:2:2:	Si[3x5]-6:C[5]-4:	O[5]-2:C[5]-3:H-1:H-1:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:	O[5](Si[3x5]O[5]5)(C[5]C[5]HH)	C[5](O[5]Si[3x5])(C[5]O[5]O)(H)2	Si[3x5](O[5]C[5])6	O[5](Si[3x5]O[5]5)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>}	C[5](O[5]Si[3x5])(C[5]O[5]O)(H)2{4|O<2>}	Si[3x5](O[5]C[5])6{3|O<1>,6|H<1>}	115.1137	1.406	3	115.1137	1.976	3	115.1137	1.976	3	115.1137	1.976	3	115.1137	1.976	3	115.1137	1.976	3
976	474	931	5:SP3_SP3_SPD5	O[5]	C[5]	Si[5,5]	4:5:	3:3:2:3:	2:2:2:2:2:	C[5]-4:Si[5,5]-5:	C[6a]-3:C[6a]-3:O[5]-2:C[5]-3:	O-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:	O[5](C[5]C[6a]2C[5])(Si[5,5]O[5]3O)	C[5](C[6a]C[6a]2)2(O[5]Si[5,5])(C[5]O[5]O)	Si[5,5](OSi[5,5])(O[5]C[5])4	O[5](C[5]C[6a]2C[5])(Si[5,5]O[5]3O){1|C<4>,1|O<1>,5|C<3>}	C[5](C[6a]C[6a]2)2(O[5]Si[5,5])(C[5]O[5]O){3|O<2>,4|C<3>,4|H<1>}	Si[5,5](OSi[5,5])(O[5]C[5])4{2|O<1>,4|C<3>}	118.4020	0.503	4	118.4020	0.253	4	118.4020	0.253	4	118.3348	0.188	6	117.8718	0.631	13	117.8111	0.568	15
976	474	931	5:SP3_SP3_SPD5	O[5]	C[5]	Si[5,5]	4:5:	3:3:2:3:	2:2:2:2:2:	C[5]-4:Si[5,5]-5:	C[6a]-3:C[6a]-3:O[5]-2:C[5]-3:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:O-2:	O[5](C[5]C[6a]2C[5])(Si[5,5]O[5]3O)	C[5](C[6a]C[6a]2)2(O[5]Si[5,5])(C[5]O[5]O)	Si[5,5](O[5]C[5])4(OH)	O[5](C[5]C[6a]2C[5])(Si[5,5]O[5]3O){1|C<4>,1|O<1>,5|C<3>}	C[5](C[6a]C[6a]2)2(O[5]Si[5,5])(C[5]O[5]O){3|O<2>,4|C<3>,4|H<1>}	Si[5,5](O[5]C[5])4(OH){2|O<1>,4|C<3>}	118.2005	0.353	2	118.2005	0.125	2	118.2005	0.125	2	118.3348	0.188	6	117.8718	0.631	13	117.8111	0.568	15
976	474	931	5:SP3_SP3_SPD5	O[5]	C[5]	Si[5,5]	5:4:	3:2:4:1:	3:4:3:2:2:	Si[5,5]-5:C[5]-4:	C[6a]-3:O[5]-2:C[5]-4:H-1:	C[6a]-3:N[5]-4:N[5]-3:O[5]-2:O[5]-2:	O[5](Si[5,5]C[6a]N[5]2O[5])(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a]2)(O[5]Si[5,5])(C[5]N[5]CH)(H)	Si[5,5](C[6a]C[6a]2)(N[5]C[5]CH)(N[5]N[5]C)(O[5]C[5])2	O[5](Si[5,5]C[6a]N[5]2O[5])(C[5]C[6a]C[5]H){1|N<2>,2|C<4>,2|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(O[5]Si[5,5])(C[5]N[5]CH)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	Si[5,5](C[6a]C[6a]2)(N[5]C[5]CH)(N[5]N[5]C)(O[5]C[5])2{1|C<4>,4|C<3>,4|H<1>}	119.2060	0.000	1	119.2060	0.000	1	119.2060	0.000	1	119.2060	0.000	1	117.8718	0.631	13	117.8111	0.568	15
976	474	931	5:SP3_SP3_SPD5	O[5]	C[5]	Si[5,5]	5:4:	3:2:4:4:	5:3:3:2:2:	Si[5,5]-5:C[5]-4:	C[5,6a]-3:O[5]-2:C-4:C-4:	Si[5,5]-5:C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:	O[5](Si[5,5]C[5,6a]2Si[5,5]O[5])(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5,5])(CF3)2	Si[5,5](Si[5,5]C[5,6a]2O[5]2)(C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2	O[5](Si[5,5]C[5,6a]2Si[5,5]O[5])(C[5]C[5,6a]CC){1|C<4>,2|O<2>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5,5])(CF3)2{1|Si<5>,1|H<1>,1|O<2>,3|C<3>}	Si[5,5](Si[5,5]C[5,6a]2O[5]2)(C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2{2|H<1>,6|C<4>,8|C<3>}	117.3385	0.084	2	117.3385	0.007	2	117.3385	0.007	2	117.3385	0.007	2	117.8718	0.631	13	117.8111	0.568	15
976	474	931	5:SP3_SP3_SPD5	O[5]	C[5]	Si[5,5]	5:4:	4:2:3:1:	3:2:2:2:2:	Si[5,5]-5:C[5]-4:	C[5]-4:O[5]-2:C[5]-3:H-1:	C[6a]-3:O[5]-2:O[5]-2:O[5]-2:O[5]-2:	O[5](Si[5,5]C[6a]O[5]3)(C[5]C[5]2H)	C[5](C[5]C[5]O[5]H)(O[5]Si[5,5])(C[5]O[5]O)(H)	Si[5,5](C[6a]C[6a]2)(O[5]C[5])4	O[5](Si[5,5]C[6a]O[5]3)(C[5]C[5]2H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5]O[5]H)(O[5]Si[5,5])(C[5]O[5]O)(H){1|Si<5>,1|C<3>,1|O<1>,3|O<2>}	Si[5,5](C[6a]C[6a]2)(O[5]C[5])4{2|C<3>,2|C<4>,2|O<1>,4|H<1>}	117.1105	0.475	4	117.1105	0.225	4	117.1105	0.225	4	117.1105	0.225	4	117.8718	0.631	13	117.8111	0.568	15
976	474	931	5:SP3_SP3_SPD5	O[5]	C[5]	Si[5]	5:4:	3:2:1:1:	2:2:4:4:1:	Si[5]-5:C[5]-4:	C[5]-3:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:F-1:	O[5](Si[5]O[5]CCF)(C[5]C[5]HH)	C[5](C[5]O[5]O)(O[5]Si[5])(H)2	Si[5](O[5]C[5])2(CHHN)(CH3)(F)	O[5](Si[5]O[5]CCF)(C[5]C[5]HH){1|O<1>}	C[5](C[5]O[5]O)(O[5]Si[5])(H)2{1|F<1>,2|C<4>}	Si[5](O[5]C[5])2(CHHN)(CH3)(F){1|O<1>,2|H<1>}	117.3200	0.000	1	117.3200	0.000	1	117.4160	0.018	2	117.4160	0.018	2	117.4160	0.018	2	117.8111	0.568	15
976	474	931	5:SP3_SP3_SPD5	O[5]	C[5]	Si[5]	5:4:	3:2:1:1:	2:2:4:4:1:	Si[5]-5:C[5]-4:	C[5]-3:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:C-4:C-4:F-1:	O[5](Si[5]O[5]CCF)(C[5]C[5]HH)	C[5](C[5]O[5]O)(O[5]Si[5])(H)2	Si[5](O[5]C[5])2(CN[6]HH)(CH3)(F)	O[5](Si[5]O[5]CCF)(C[5]C[5]HH){1|O<1>}	C[5](C[5]O[5]O)(O[5]Si[5])(H)2{1|F<1>,2|C<4>}	Si[5](O[5]C[5])2(CN[6]HH)(CH3)(F){1|O<1>,2|H<1>}	117.5120	0.000	1	117.5120	0.000	1	117.4160	0.018	2	117.4160	0.018	2	117.4160	0.018	2	117.8111	0.568	15
976	474	955	5:SP3_SP3_SP3	O[5,6]	C[5,6]	P[3x5,6]	4:4:	4:2:1:1:	4:4:2:1:	P[3x5,6]-4:C[5,6]-4:	C[5,5,6,6]-4:O[5,6]-2:H-1:H-1:	C[3x5,6]-4:C[5,5,6,6]-4:O[5,6]-2:S-1:	O[5,6](P[3x5,6]C[5,5,6,6]C[3x5,6]S)(C[5,6]C[5,5,6,6]HH)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(O[5,6]P[3x5,6])(H)2	P[3x5,6](C[3x5,6]C[5,5,6,6]C[5,6]H)(C[5,5,6,6]C[5,6,6]C[5,6]H)(O[5,6]C[5,6])(S)	O[5,6](P[3x5,6]C[5,5,6,6]C[3x5,6]S)(C[5,6]C[5,5,6,6]HH){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(O[5,6]P[3x5,6])(H)2{1|C<3>,1|C<4>,1|S<1>,3|H<1>}	P[3x5,6](C[3x5,6]C[5,5,6,6]C[5,6]H)(C[5,5,6,6]C[5,6,6]C[5,6]H)(O[5,6]C[5,6])(S){2|C<4>,5|H<1>}	108.3440	0.000	1	108.3440	0.000	1	108.3440	0.000	1	108.3440	0.000	1	108.3440	0.000	1	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5,5]	P[5]	4:4:	4:4:2:1:	3:2:4:4:	C[5,5]-4:P[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	N[5]-3:O[5]-2:B-4:C-4:	O[5](C[5,5]C[5,5]C[5]H)(P[5]N[5]BC)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]P[5])(H)	P[5](N[5]C[5,5]H)(O[5]C[5,5])(BH3)(CC3)	O[5](C[5,5]C[5,5]C[5]H)(P[5]N[5]BC){2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(O[5]P[5])(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	P[5](N[5]C[5,5]H)(O[5]C[5,5])(BH3)(CC3){1|C<3>,1|C<4>,2|H<1>}	112.1340	0.000	1	112.1340	0.000	1	112.1340	0.000	1	112.1340	0.000	1	112.1340	0.000	1	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5,6]	P[5]	4:4:	3:3:2:4:	2:2:1:1:	C[5,6]-4:P[5]-4:	C[5,6]-3:C[6]-3:O[5]-2:C-4:	N[5]-2:O[5]-2:Cl-1:O-1:	O[5](C[5,6]C[5,6]C[6]C)(P[5]N[5]ClO)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(O[5]P[5])(CC3)	P[5](N[5]C[5,6])(O[5]C[5,6])(Cl)(O)	O[5](C[5,6]C[5,6]C[6]C)(P[5]N[5]ClO){1|H<1>,2|C<3>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(O[5]P[5])(CC3){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	P[5](N[5]C[5,6])(O[5]C[5,6])(Cl)(O){1|C<4>,2|C<3>}	110.7380	0.000	1	110.7380	0.000	1	110.7380	0.000	1	110.7380	0.000	1	112.4187	10.208	7	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5,6]	P[5]	4:4:	3:4:4:2:	2:3:2:1:	C[5,6]-4:P[5]-4:	C[5]-3:C[6]-4:C[6]-4:O[5]-2:	O[5]-2:C[5]-3:O-2:O-1:	O[5](C[5,6]C[5]C[6]2)(P[5]C[5]OO)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]HH)2(O[5]P[5])	P[5](O[5]C[5,6])(C[5]C[5]C)(OC)(O)	O[5](C[5,6]C[5]C[6]2)(P[5]C[5]OO){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]HH)2(O[5]P[5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	P[5](O[5]C[5,6])(C[5]C[5]C)(OC)(O){1|C<3>,2|C<4>}	114.0850	0.000	1	114.0850	0.000	1	114.0850	0.000	1	114.0850	0.000	1	112.4187	10.208	7	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5,6]	P[5]	4:4:	4:4:2:1:	3:2:2:4:	C[5,6]-4:P[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6a]-3:O[5]-2:O[5]-2:B-4:	O[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]O[5]B)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]P[5])(H)	P[5](C[6a]C[6a]2)(O[5]C[5,6])2(BH3)	O[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]O[5]B){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(O[5]P[5])(H){1|B<4>,1|C<3>,1|C<4>,2|H<1>,2|O<2>}	P[5](C[6a]C[6a]2)(O[5]C[5,6])2(BH3){2|C<3>,2|C<4>,4|H<1>}	110.4390	0.000	1	110.4390	0.000	1	109.2895	2.643	2	109.2895	2.643	2	112.4187	10.208	7	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5,6]	P[5]	4:4:	4:4:2:1:	3:2:2:4:	C[5,6]-4:P[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[6a]-3:O[5]-2:O[5]-2:B-4:	O[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]O[5]B)	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]P[5])(H)	P[5](C[6a]C[6a]2)(O[5]C[5,6])2(BH3)	O[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]O[5]B){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]O[6]CH)(O[5]P[5])(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	P[5](C[6a]C[6a]2)(O[5]C[5,6])2(BH3){2|C<3>,2|C<4>,4|H<1>}	108.1400	0.000	1	108.1400	0.000	1	109.2895	2.643	2	109.2895	2.643	2	112.4187	10.208	7	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5,6]	P[5]	4:4:	4:4:2:1:	3:3:2:1:	C[5,6]-4:P[5]-4:	C[6,6]-4:C[5,6]-4:O[5]-2:H-1:	C[6a]-3:N[5]-3:O[5]-2:O-1:	O[5](C[5,6]C[5,6]C[6,6]H)(P[5]C[6a]N[5]O)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(O[5]P[5])(H)	P[5](C[6a]C[6a]2)(N[5]C[5,6]S)(O[5]C[5,6])(O)	O[5](C[5,6]C[5,6]C[6,6]H)(P[5]C[6a]N[5]O){1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(O[5]P[5])(H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,2|H<1>,2|O<2>}	P[5](C[6a]C[6a]2)(N[5]C[5,6]S)(O[5]C[5,6])(O){2|C<3>,2|C<4>,4|H<1>}	110.9850	0.000	1	110.9850	0.000	1	110.9850	0.000	1	110.9850	0.000	1	112.4187	10.208	7	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5,6]	P[5]	4:4:	4:4:2:4:	2:2:2:1:	C[5,6]-4:P[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	O[5]-2:S[5]-2:S-2:S-1:	O[5](C[5,6]C[5,6]C[6]C)(P[5]S[5]SS)	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]P[5])(CH3)	P[5](O[5]C[5,6])(S[5]C[5,6])(SC[6a])(S)	O[5](C[5,6]C[5,6]C[6]C)(P[5]S[5]SS){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]P[5])(CH3){1|C<4>,1|S<1>,1|S<2>,4|H<1>}	P[5](O[5]C[5,6])(S[5]C[5,6])(SC[6a])(S){1|H<1>,3|C<4>}	115.3580	0.000	1	115.3580	0.000	1	115.3580	0.000	1	115.3580	0.000	1	112.4187	10.208	7	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5,6]	P[5]	4:4:	4:4:2:4:	3:2:2:1:	C[5,6]-4:P[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[6a]-3:O[5]-2:S[5]-2:S-1:	O[5](C[5,6]C[5,6]C[6]C)(P[5]C[6a]S[5]S)	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]P[5])(CH3)	P[5](C[6a]C[6a]2)(O[5]C[5,6])(S[5]C[5,6])(S)	O[5](C[5,6]C[5,6]C[6]C)(P[5]C[6a]S[5]S){2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]S[5]H)(C[6]C[6]HH)(O[5]P[5])(CH3){1|C<3>,1|C<4>,1|S<1>,4|H<1>}	P[5](C[6a]C[6a]2)(O[5]C[5,6])(S[5]C[5,6])(S){2|C<3>,3|C<4>,3|H<1>}	117.1860	0.000	1	117.1860	0.000	1	117.1860	0.000	1	117.1860	0.000	1	112.4187	10.208	7	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5,6]	4:4:	4:2:1:1:	2:2:2:2:	P[5,6]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-2:N[6]-2:N[6]-2:O[5]-2:	O[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]P[5,6])(H)2	P[5,6](N[5]C[5])(N[6]P[6])2(O[5]C[5])	O[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH){2|H<1>,2|P<4>}	C[5](C[5]N[5]HH)(O[5]P[5,6])(H)2{2|N<2>}	P[5,6](N[5]C[5])(N[6]P[6])2(O[5]C[5]){3|Cl<1>,1|N<2>,1|N<3>,4|H<1>}	112.3910	0.000	1	112.3910	0.000	1	112.3910	0.000	1	110.7170	0.907	9	111.6122	1.033	28	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5,6]	4:4:	4:2:1:1:	2:2:2:2:	P[5,6]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	N[6]-2:N[6]-2:O[5]-2:O[5]-2:	O[5](P[5,6]N[6]2O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]P[5,6])(H)2	P[5,6](N[6]P[6])2(O[5]C[5])2	O[5](P[5,6]N[6]2O[5])(C[5]C[5]HH){2|H<1>,2|P<4>}	C[5](C[5]O[5]HH)(O[5]P[5,6])(H)2{2|N<2>}	P[5,6](N[6]P[6])2(O[5]C[5])2{2|Cl<1>,1|N<2>,2|O<2>,4|H<1>}	110.6550	0.581	2	110.5078	0.586	8	110.5078	0.586	8	110.7170	0.907	9	111.6122	1.033	28	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5,6]	4:4:	4:2:1:1:	2:2:2:2:	P[5,6]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	N[6]-2:N[6]-2:O[5]-2:O[5]-2:	O[5](P[5,6]N[6]2O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]P[5,6])(H)2	P[5,6](N[6]P[6])2(O[5]C[5])2	O[5](P[5,6]N[6]2O[5])(C[5]C[5]HH){2|H<1>,2|P<4>}	C[5](C[5]O[5]HH)(O[5]P[5,6])(H)2{2|N<2>}	P[5,6](N[6]P[6])2(O[5]C[5])2{3|Cl<1>,1|N<2>,1|N<3>,4|H<1>}	110.5405	1.319	2	110.5078	0.586	8	110.5078	0.586	8	110.7170	0.907	9	111.6122	1.033	28	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5,6]	4:4:	4:2:1:1:	2:2:2:2:	P[5,6]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	N[6]-2:N[6]-2:O[5]-2:O[5]-2:	O[5](P[5,6]N[6]2O[5])(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]P[5,6])(H)2	P[5,6](N[6]P[6])2(O[5]C[5])2	O[5](P[5,6]N[6]2O[5])(C[5]C[5]HH){2|H<1>,2|P<4>}	C[5](C[5]O[5]HH)(O[5]P[5,6])(H)2{2|N<2>}	P[5,6](N[6]P[6])2(O[5]C[5])2{3|Cl<1>,1|N<2>,1|O<2>,4|H<1>}	110.4177	0.805	4	110.5078	0.586	8	110.5078	0.586	8	110.7170	0.907	9	111.6122	1.033	28	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5,6]	4:4:	4:2:1:1:	2:2:3:2:	P[5,6]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	N[6]-2:N[6]-2:N[5]-3:O[5]-2:	O[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)	C[5](C[5]C[6a]N[5]H)(O[5]P[5,6])(H)2	P[5,6](N[6]P[5,6])2(N[5]C[5]H)(O[5]C[5])	O[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH){1|C<3>,2|H<1>,2|P<4>}	C[5](C[5]C[6a]N[5]H)(O[5]P[5,6])(H)2{1|H<1>,2|C<3>,2|N<2>}	P[5,6](N[6]P[5,6])2(N[5]C[5]H)(O[5]C[5]){1|C<3>,1|N<2>,2|N<3>,2|O<2>,3|H<1>}	112.7967	0.412	3	112.7967	0.169	3	112.5110	0.243	6	112.5110	0.243	6	111.6122	1.033	28	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5,6]	4:4:	4:2:1:1:	2:2:3:2:	P[5,6]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	N[6]-2:N[6]-2:N[5]-3:O[5]-2:	O[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)	C[5](C[5]N[5]CH)(O[5]P[5,6])(H)2	P[5,6](N[6]P[5,6])2(N[5]C[5]H)(O[5]C[5])	O[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH){1|C<4>,2|H<1>,2|P<4>}	C[5](C[5]N[5]CH)(O[5]P[5,6])(H)2{1|H<1>,2|N<2>}	P[5,6](N[6]P[5,6])2(N[5]C[5]H)(O[5]C[5]){1|C<4>,1|N<2>,2|N<3>,2|O<2>,3|H<1>}	112.2253	0.439	3	112.2253	0.193	3	112.5110	0.243	6	112.5110	0.243	6	111.6122	1.033	28	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5,6]	4:4:	4:2:1:1:	3:2:2:2:	P[5,6]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:N[6]-2:N[6]-2:O[5]-2:	O[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)	C[5](C[5]C[6a]N[5]H)(O[5]P[5,6])(H)2	P[5,6](N[5]C[5]H)(N[6]P[6])2(O[5]C[5])	O[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH){1|C<3>,2|H<1>,2|P<4>}	C[5](C[5]C[6a]N[5]H)(O[5]P[5,6])(H)2{1|H<1>,2|C<3>,2|N<2>}	P[5,6](N[5]C[5]H)(N[6]P[6])2(O[5]C[5]){4|Cl<1>,1|C<3>,1|N<2>,3|H<1>}	112.6360	1.868	2	112.6360	3.490	2	111.8492	0.605	12	111.8492	0.605	12	111.6122	1.033	28	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5,6]	4:4:	4:2:1:1:	3:2:2:2:	P[5,6]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:N[6]-2:N[6]-2:O[5]-2:	O[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]P[5,6])(H)2	P[5,6](N[5]C[5]C)(N[6]P[6])2(O[5]C[5])	O[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH){1|C<4>,2|H<1>,2|P<4>}	C[5](C[5]N[5]HH)(O[5]P[5,6])(H)2{1|C<4>,2|N<2>}	P[5,6](N[5]C[5]C)(N[6]P[6])2(O[5]C[5]){2|Cl<1>,1|N<2>,2|O<2>,4|H<1>}	111.7764	0.538	5	111.6747	0.207	9	111.8492	0.605	12	111.8492	0.605	12	111.6122	1.033	28	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5,6]	4:4:	4:2:1:1:	3:2:2:2:	P[5,6]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:N[6]-2:N[6]-2:O[5]-2:	O[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]P[5,6])(H)2	P[5,6](N[5]C[5]C)(N[6]P[6])2(O[5]C[5])	O[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH){1|C<4>,2|H<1>,2|P<4>}	C[5](C[5]N[5]HH)(O[5]P[5,6])(H)2{1|C<4>,2|N<2>}	P[5,6](N[5]C[5]C)(N[6]P[6])2(O[5]C[5]){3|Cl<1>,1|N<2>,1|O<2>,4|H<1>}	111.6665	0.315	2	111.6747	0.207	9	111.8492	0.605	12	111.8492	0.605	12	111.6122	1.033	28	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5,6]	4:4:	4:2:1:1:	3:2:2:2:	P[5,6]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:N[6]-2:N[6]-2:O[5]-2:	O[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]P[5,6])(H)2	P[5,6](N[5]C[5]C)(N[6]P[6])2(O[5]C[5])	O[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH){1|C<4>,2|H<1>,2|P<4>}	C[5](C[5]N[5]HH)(O[5]P[5,6])(H)2{1|C<4>,2|N<2>}	P[5,6](N[5]C[5]C)(N[6]P[6])2(O[5]C[5]){4|Cl<1>,1|N<2>,4|H<1>}	111.4285	0.474	2	111.6747	0.207	9	111.8492	0.605	12	111.8492	0.605	12	111.6122	1.033	28	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5,6]	4:4:	4:2:1:1:	3:2:2:2:	P[5,6]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:N[6]-2:N[6]-2:O[5]-2:	O[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]P[5,6])(H)2	P[5,6](N[5]C[5]H)(N[6]P[6])2(O[5]C[5])	O[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH){2|P<4>,3|H<1>}	C[5](C[5]N[5]HH)(O[5]P[5,6])(H)2{1|H<1>,2|N<2>}	P[5,6](N[5]C[5]H)(N[6]P[6])2(O[5]C[5]){3|Cl<1>,1|N<2>,1|O<2>,4|H<1>}	111.8470	0.000	1	111.8470	0.000	1	111.8492	0.605	12	111.8492	0.605	12	111.6122	1.033	28	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5,6]	4:4:	4:2:1:1:	3:3:2:1:	P[5,6]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	N[5,6]-3:N[6]-3:O[5]-2:S-1:	O[5](P[5,6]N[5,6]N[6]S)(C[5]C[5]HH)	C[5](C[5]N[5,6]HH)(O[5]P[5,6])(H)2	P[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6]C)(O[5]C[5])(S)	O[5](P[5,6]N[5,6]N[6]S)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5,6]HH)(O[5]P[5,6])(H)2{1|C<3>,1|N<3>,1|S<1>}	P[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6]C)(O[5]C[5])(S){1|O<1>,2|C<3>,4|H<1>}	111.4310	0.000	1	111.4310	0.000	1	111.4310	0.000	1	111.4310	0.000	1	111.6122	1.033	28	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5]	4:4:	3:2:1:1:	3:3:2:4:	P[5]-4:C[5]-4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:B-4:	O[5](P[5]C[5,6a]C[6a]B)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(H)2	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(BH3)	O[5](P[5]C[5,6a]C[6a]B)(C[5]C[5,6a]HH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(H)2{1|B<4>,1|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(BH3){4|C<3>,5|H<1>}	112.9225	2.481	2	112.9225	6.157	2	112.9225	6.157	2	111.9303	3.899	4	112.0690	4.852	48	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5]	4:4:	3:2:1:1:	3:3:2:4:	P[5]-4:C[5]-4:	C[5]-3:O[5]-2:H-1:H-1:	C[6a]-3:N[5]-3:O[5]-2:B-4:	O[5](P[5]C[6a]N[5]B)(C[5]C[5]HH)	C[5](C[5]N[5]C)(O[5]P[5])(H)2	P[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(BH3)	O[5](P[5]C[6a]N[5]B)(C[5]C[5]HH){1|C<2>,3|C<3>}	C[5](C[5]N[5]C)(O[5]P[5])(H)2{1|B<4>,1|C<2>,1|C<3>}	P[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(BH3){3|C<3>,4|H<1>}	111.8330	0.000	1	110.9380	1.602	2	110.9380	1.602	2	111.9303	3.899	4	112.0690	4.852	48	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5]	4:4:	3:2:1:1:	3:3:2:4:	P[5]-4:C[5]-4:	C[5]-3:O[5]-2:H-1:H-1:	C[6a]-3:N[5]-3:O[5]-2:B-4:	O[5](P[5]C[6a]N[5]B)(C[5]C[5]HH)	C[5](C[5]N[5]C)(O[5]P[5])(H)2	P[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(BH3)	O[5](P[5]C[6a]N[5]B)(C[5]C[5]HH){1|C<4>,3|C<3>}	C[5](C[5]N[5]C)(O[5]P[5])(H)2{1|B<4>,1|C<3>,1|C<4>}	P[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(BH3){3|C<3>,4|H<1>}	110.0430	0.000	1	110.9380	1.602	2	110.9380	1.602	2	111.9303	3.899	4	112.0690	4.852	48	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5]	4:4:	3:2:4:4:	3:3:2:1:	P[5]-4:C[5]-4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:C[6a]-3:O[5]-2:S-1:	O[5](P[5]C[6a]C[5]S)(C[5]C[5]CC)	C[5](C[5]C[6a]C[5])(O[5]P[5])(CCHH)2	P[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(S)	O[5](P[5]C[6a]C[5]S)(C[5]C[5]CC){4|C<3>}	C[5](C[5]C[6a]C[5])(O[5]P[5])(CCHH)2{1|S<1>,4|C<3>}	P[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(S){2|C<4>,2|H<1>,5|C<3>}	114.9430	0.202	2	114.9430	0.041	2	114.9430	0.041	2	114.9430	0.041	2	112.0690	4.852	48	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5]	4:4:	3:2:4:4:	3:3:2:3:	P[5]-4:C[5]-4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:C-3:	O[5](P[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(CF3)2	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CCS)	O[5](P[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(CF3)2{1|H<1>,4|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CCS){1|H<1>,4|C<3>,4|C<4>}	117.0875	0.508	2	117.0875	0.258	2	117.0875	0.258	2	117.0875	0.258	2	112.0690	4.852	48	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5]	4:4:	3:2:4:4:	3:3:2:4:	P[5]-4:C[5]-4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:C-4:	O[5](P[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(CF3)2	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CSeCC)	O[5](P[5]C[5,6a]C[6a]C)(C[5]C[5,6a]CC){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(CF3)2{1|C<4>,1|H<1>,3|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CSeCC){2|C<4>,3|H<1>,4|C<3>}	117.0770	0.000	1	117.0770	0.000	1	117.0770	0.000	1	117.0770	0.000	1	112.0690	4.852	48	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5]	4:4:	3:3:3:2:	3:2:2:1:	C[5]-4:P[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:O[5]-2:O-2:O-1:	O[5](C[5]C[6a]2C[5])(P[5]C[5]OO)	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]P[5])	P[5](C[5]C[5]2)(O[5]C[5])(OH)(O)	O[5](C[5]C[6a]2C[5])(P[5]C[5]OO){1|Br<1>,5|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]Br)(O[5]P[5]){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	P[5](C[5]C[5]2)(O[5]C[5])(OH)(O){1|Br<1>,1|P<4>,3|C<3>}	116.2310	0.000	1	116.2310	0.000	1	116.2310	0.000	1	116.2310	0.000	1	112.0690	4.852	48	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5]	4:4:	3:4:2:1:	3:2:3:1:	C[5]-4:P[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	N[5]-3:O[5]-2:N-3:O-1:	O[5](C[5]C[6a]C[5]H)(P[5]N[5]NO)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H)	P[5](N[5]C[5]C)(O[5]C[5])(NCC)(O)	O[5](C[5]C[6a]C[5]H)(P[5]N[5]NO){1|H<1>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	P[5](N[5]C[5]C)(O[5]C[5])(NCC)(O){1|C<3>,1|C<4>,2|H<1>}	108.4570	0.000	1	108.4570	0.000	1	108.4570	0.000	1	108.4570	0.000	1	112.0690	4.852	48	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5]	4:4:	3:4:2:1:	3:4:2:1:	C[5]-4:P[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	N[5]-3:C-4:O[5]-2:O-1:	O[5](C[5]C[6a]C[5]H)(P[5]N[5]CO)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H)	P[5](N[5]C[5]C)(CC[6a]FH)(O[5]C[5])(O)	O[5](C[5]C[6a]C[5]H)(P[5]N[5]CO){1|H<1>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	P[5](N[5]C[5]C)(CC[6a]FH)(O[5]C[5])(O){1|C<3>,1|C<4>,2|H<1>}	112.3678	1.411	5	112.3678	1.991	5	112.3678	1.991	5	112.3678	1.991	5	112.0690	4.852	48	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5]	4:4:	3:4:2:1:	4:3:2:1:	C[5]-4:P[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-3:O[5]-2:O-1:	O[5](C[5]C[6a]C[5]H)(P[5]C[5]N[5]O)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H)	P[5](C[5]C[5]2Fe)(N[5]C[5]C)(O[5]C[5])(O)	O[5](C[5]C[6a]C[5]H)(P[5]C[5]N[5]O){1|Fe<10>,1|H<1>,2|C<3>,4|C<4>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	P[5](C[5]C[5]2Fe)(N[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|P<3>,3|C<4>,3|H<1>}	110.5450	0.000	1	111.3935	3.519	6	111.3935	3.519	6	111.3935	3.519	6	112.0690	4.852	48	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5]	4:4:	3:4:2:1:	4:3:2:1:	C[5]-4:P[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-3:O[5]-2:O-1:	O[5](C[5]C[6a]C[5]H)(P[5]C[5]N[5]O)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H)	P[5](C[5]C[5]2Fe)(N[5]C[5]C)(O[5]C[5])(O)	O[5](C[5]C[6a]C[5]H)(P[5]C[5]N[5]O){1|Fe<10>,1|H<1>,2|C<3>,4|C<4>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	P[5](C[5]C[5]2Fe)(N[5]C[5]C)(O[5]C[5])(O){1|C<3>,3|C<4>,4|H<1>}	109.5820	0.144	2	111.3935	3.519	6	111.3935	3.519	6	111.3935	3.519	6	112.0690	4.852	48	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5]	4:4:	3:4:2:1:	4:3:2:1:	C[5]-4:P[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-3:O[5]-2:O-1:	O[5](C[5]C[6a]C[5]H)(P[5]C[5]N[5]O)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H)	P[5](C[5]C[5]2Fe)(N[5]C[5]C)(O[5]C[5])(O)	O[5](C[5]C[6a]C[5]H)(P[5]C[5]N[5]O){1|Fe<10>,1|H<1>,2|C<3>,4|C<4>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	P[5](C[5]C[5]2Fe)(N[5]C[5]C)(O[5]C[5])(O){1|C<3>,3|H<1>,4|C<4>}	113.6615	0.005	2	111.3935	3.519	6	111.3935	3.519	6	111.3935	3.519	6	112.0690	4.852	48	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5]	4:4:	3:4:2:1:	4:3:2:1:	C[5]-4:P[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-4:N[5]-3:O[5]-2:O-1:	O[5](C[5]C[6a]C[5]H)(P[5]C[5]N[5]O)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H)	P[5](C[5]C[5]2Fe)(N[5]C[5]C)(O[5]C[5])(O)	O[5](C[5]C[6a]C[5]H)(P[5]C[5]N[5]O){1|Fe<10>,1|H<1>,2|C<3>,4|C<4>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]P[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	P[5](C[5]C[5]2Fe)(N[5]C[5]C)(O[5]C[5])(O){1|Si<4>,1|C<3>,3|C<4>,3|H<1>}	111.3290	0.000	1	111.3935	3.519	6	111.3935	3.519	6	111.3935	3.519	6	112.0690	4.852	48	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5]	4:4:	3:4:2:4:	3:2:2:1:	C[5]-4:P[5]-4:	C[6a]-3:C[5]-4:O[5]-2:C-4:	N[5]-3:O[5]-2:O-2:O-1:	O[5](C[5]C[6a]C[5]C)(P[5]N[5]OO)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]P[5])(CHHI)	P[5](N[5]C[5]C)(O[5]C[5])(OC)(O)	O[5](C[5]C[6a]C[5]C)(P[5]N[5]OO){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(O[5]P[5])(CHHI){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	P[5](N[5]C[5]C)(O[5]C[5])(OC)(O){1|C<3>,1|C<4>,2|H<1>}	113.1310	0.000	1	113.1310	0.000	1	113.1310	0.000	1	113.1310	0.000	1	112.0690	4.852	48	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5]	4:4:	4:2:1:1:	2:2:2:1:	C[5]-4:P[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	S[5]-2:O[5]-2:O-2:S-1:	O[5](C[5]C[5,6]HH)(P[5]S[5]OS)	C[5](C[5,6]C[6]2S[5])(O[5]P[5])(H)2	P[5](S[5]C[5,6])(O[5]C[5])(OC[5,5])(S)	O[5](C[5]C[5,6]HH)(P[5]S[5]OS){2|C<4>}	C[5](C[5,6]C[6]2S[5])(O[5]P[5])(H)2{1|O<2>,1|S<1>,2|C<4>,4|H<1>}	P[5](S[5]C[5,6])(O[5]C[5])(OC[5,5])(S){2|C<4>,2|H<1>}	115.4660	0.000	1	115.4660	0.000	1	115.4660	0.000	1	112.4000	4.050	6	112.0690	4.852	48	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5]	4:4:	4:2:1:1:	2:2:2:1:	C[5]-4:P[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-2:O[5]-2:N-2:S-1:	O[5](C[5]C[5]HH)(P[5]O[5]NS)	C[5](C[5]O[5]HH)(O[5]P[5])(H)2	P[5](O[5]C[5])2(NP[5])(S)	O[5](C[5]C[5]HH)(P[5]O[5]NS){2|H<1>}	C[5](C[5]O[5]HH)(O[5]P[5])(H)2{1|N<2>,1|S<1>}	P[5](O[5]C[5])2(NP[5])(S){4|H<1>}	111.2447	1.016	4	111.2447	1.031	4	111.2447	1.031	4	112.4000	4.050	6	112.0690	4.852	48	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5]	4:4:	4:2:1:1:	2:2:2:1:	C[5]-4:P[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	O[5]-2:S[5]-2:N-2:S-1:	O[5](C[5]C[5]HH)(P[5]S[5]NS)	C[5](C[5]S[5]HH)(O[5]P[5])(H)2	P[5](O[5]C[5])(S[5]C[5])(NC)(S)	O[5](C[5]C[5]HH)(P[5]S[5]NS){2|H<1>}	C[5](C[5]S[5]HH)(O[5]P[5])(H)2{1|N<2>,1|S<1>}	P[5](O[5]C[5])(S[5]C[5])(NC)(S){4|H<1>}	113.9550	0.000	1	113.9550	0.000	1	113.9550	0.000	1	112.4000	4.050	6	112.0690	4.852	48	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5]	4:4:	4:2:1:1:	3:2:2:1:	P[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[6a]-3:O[5]-2:O[5]-2:S-1:	O[5](P[5]C[6a]O[5]S)(C[5]C[5]HH)	C[5](C[5]O[5]HH)(O[5]P[5])(H)2	P[5](C[6a]C[6a]2)(O[5]C[5])2(S)	O[5](P[5]C[6a]O[5]S)(C[5]C[5]HH){2|C<3>,2|H<1>}	C[5](C[5]O[5]HH)(O[5]P[5])(H)2{1|C<3>,1|S<1>}	P[5](C[6a]C[6a]2)(O[5]C[5])2(S){2|C<3>,6|H<1>}	110.8315	1.142	2	110.8315	1.304	2	110.8315	1.304	2	110.8315	1.304	2	112.0690	4.852	48	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5]	4:4:	4:2:1:1:	3:2:2:4:	C[5]-4:P[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:O[5]-2:O-2:B-4:	O[5](C[5]C[5]HH)(P[5]N[5]BO)	C[5](C[5]N[5]HH)(O[5]P[5])(H)2	P[5](N[5]C[5]C)(O[5]C[5])(OC[5])(BH3)	O[5](C[5]C[5]HH)(P[5]N[5]BO){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(O[5]P[5])(H)2{1|B<4>,1|C<4>,1|O<2>}	P[5](N[5]C[5]C)(O[5]C[5])(OC[5])(BH3){4|H<1>}	111.4510	0.000	1	111.4510	0.000	1	111.4510	0.000	1	111.4510	0.000	1	112.0690	4.852	48	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5]	4:4:	4:2:1:1:	3:2:3:1:	C[5]-4:P[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:O[5]-2:N-3:O-1:	O[5](C[5]C[5]HH)(P[5]N[5]NO)	C[5](C[5]N[5]CH)(O[5]P[5])(H)2	P[5](N[5]C[5]H)(O[5]C[5])(NCC)(O)	O[5](C[5]C[5]HH)(P[5]N[5]NO){1|C<4>,2|H<1>}	C[5](C[5]N[5]CH)(O[5]P[5])(H)2{1|H<1>,1|N<3>,1|O<1>}	P[5](N[5]C[5]H)(O[5]C[5])(NCC)(O){1|C<4>,3|H<1>}	111.8920	0.000	1	111.8920	0.000	1	111.8920	0.000	1	111.8920	0.000	1	112.0690	4.852	48	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5]	4:4:	4:2:1:1:	3:3:2:1:	P[5]-4:C[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:C[6a]-3:O[5]-2:S-1:	O[5](P[5]C[6a]N[5]S)(C[5]C[5]HH)	C[5](C[5]N[5]HH)(O[5]P[5])(H)2	P[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(S)	O[5](P[5]C[6a]N[5]S)(C[5]C[5]HH){2|H<1>,3|C<3>}	C[5](C[5]N[5]HH)(O[5]P[5])(H)2{1|S<1>,2|C<3>}	P[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(S){4|C<3>,6|H<1>}	111.1540	0.991	4	111.1540	0.982	4	111.1540	0.982	4	111.1540	0.982	4	112.0690	4.852	48	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5]	4:4:	4:2:4:1:	2:2:2:1:	C[5]-4:P[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	O[5]-2:O[5]-2:O-2:O-1:	O[5](C[5]C[5]CH)(P[5]O[5]OO)	C[5](C[5]O[5]CH)(O[5]P[5])(CH3)(H)	P[5](O[5]C[5])2(OC)(O)	O[5](C[5]C[5]CH)(P[5]O[5]OO){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]P[5])(CH3)(H){1|O<1>,1|O<2>}	P[5](O[5]C[5])2(OC)(O){2|C<4>,2|H<1>}	110.7990	0.395	2	110.7990	0.156	2	110.7990	0.156	2	110.7990	0.156	2	112.0690	4.852	48	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5]	4:4:	4:2:4:4:	2:2:1:1:	C[5]-4:P[5]-4:	C[5]-4:O[5]-2:C-4:C-4:	O[5]-2:O[5]-2:H-1:O-1:	O[5](C[5]C[5]CC)(P[5]O[5]HO)	C[5](C[5]O[5]CC)(O[5]P[5])(CH3)2	P[5](O[5]C[5])2(H)(O)	O[5](C[5]C[5]CC)(P[5]O[5]HO){2|C<4>}	C[5](C[5]O[5]CC)(O[5]P[5])(CH3)2{1|H<1>,1|O<1>}	P[5](O[5]C[5])2(H)(O){4|C<4>}	110.9430	0.604	2	110.9430	0.365	2	110.9430	0.365	2	110.9430	0.365	2	112.0690	4.852	48	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5]	4:4:	4:2:4:4:	2:2:2:1:	C[5]-4:P[5]-4:	C[5]-4:O[5]-2:C-4:C-4:	O[5]-2:O[5]-2:O-2:O-1:	O[5](C[5]C[5]CC)(P[5]O[5]OO)	C[5](C[5]O[5]CC)(O[5]P[5])(CH3)2	P[5](O[5]C[5])2(OH)(O)	O[5](C[5]C[5]CC)(P[5]O[5]OO){2|C<4>}	C[5](C[5]O[5]CC)(O[5]P[5])(CH3)2{1|O<1>,1|O<2>}	P[5](O[5]C[5])2(OH)(O){4|C<4>}	111.0760	1.486	2	111.0760	2.209	2	111.0760	2.209	2	111.0760	2.209	2	112.0690	4.852	48	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5]	4:4:	4:3:2:1:	3:2:2:1:	C[5]-4:P[5]-4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[6a]-3:O[5]-2:O[5]-2:O-1:	O[5](C[5]C[6a]C[5]H)(P[5]C[6a]O[5]O)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]P[5])(H)	P[5](C[6a]C[6a]2)(O[5]C[5])2(O)	O[5](C[5]C[6a]C[5]H)(P[5]C[6a]O[5]O){1|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(O[5]P[5])(H){1|O<1>,2|H<1>,5|C<3>}	P[5](C[6a]C[6a]2)(O[5]C[5])2(O){4|C<3>,4|H<1>}	112.0575	1.515	2	112.0575	2.296	2	112.0575	2.296	2	112.0575	2.296	2	112.0690	4.852	48	111.9042	3.993	85
976	474	955	5:SP3_SP3_SP3	O[5]	C[5]	P[5]	4:4:	4:3:2:1:	3:2:4:1:	C[5]-4:P[5]-4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	N[5]-3:O[5]-2:C-4:O-1:	O[5](C[5]C[6a]C[5]H)(P[5]N[5]CO)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]P[5])(H)	P[5](N[5]C[5]C)(O[5]C[5])(CCHH)(O)	O[5](C[5]C[6a]C[5]H)(P[5]N[5]CO){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]P[5])(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	P[5](N[5]C[5]C)(O[5]C[5])(CCHH)(O){2|C<3>,2|H<1>}	109.5530	0.086	3	109.5530	0.007	3	109.5530	0.007	3	109.5530	0.007	3	112.0690	4.852	48	111.9042	3.993	85
976	474	959	5:SP3_SP3_SP3	O[5]	C[3x5,6]	S[5]	4:4:	4:4:4:2:	2:2:1:1:	C[3x5,6]-4:S[5]-4:	C[3x5,6]-4:C[5,6]-4:C[5,6]-4:O[5]-2:	O[5]-2:O[5]-2:O-1:O-1:	O[5](C[3x5,6]C[3x5,6]C[5,6]2)(S[5]O[5]OO)	C[3x5,6](C[3x5,6]C[5,6]2O[5])(C[5,6]C[5,6,6]HH)2(O[5]S[5])	S[5](O[5]C[3x5,6])2(O)2	O[5](C[3x5,6]C[3x5,6]C[5,6]2)(S[5]O[5]OO){4|C<4>,4|H<1>}	C[3x5,6](C[3x5,6]C[5,6]2O[5])(C[5,6]C[5,6,6]HH)2(O[5]S[5]){1|C<4>,2|O<1>,6|H<1>}	S[5](O[5]C[3x5,6])2(O)2{4|C<4>}	109.4235	0.032	2	109.4235	0.001	2	109.4235	0.001	2	109.4235	0.001	2	109.4235	0.001	2	111.0032	4.514	47
976	474	959	5:SP3_SP3_SP3	O[5]	C[3x5]	S[5]	4:4:	4:4:4:2:	4:2:1:1:	C[3x5]-4:S[5]-4:	C[3x5]-4:C[5,5]-4:C[5,5]-4:O[5]-2:	C[5]-4:O[5]-2:O-1:O-1:	O[5](C[3x5]C[3x5]C[5,5]2)(S[5]C[5]OO)	C[3x5](C[3x5]N[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]S[5])	S[5](C[5]C[3x5]HH)(O[5]C[3x5])(O)2	O[5](C[3x5]C[3x5]C[5,5]2)(S[5]C[5]OO){1|N<3>,2|C<4>,3|O<2>,4|H<1>}	C[3x5](C[3x5]N[5,5]C[5]O[5])(C[5,5]C[5,5]O[5]H)(C[5,5]C[5]O[5]H)(O[5]S[5]){1|C<3>,1|O<2>,2|C<4>,2|O<1>,5|H<1>}	S[5](C[5]C[3x5]HH)(O[5]C[3x5])(O)2{1|N<3>,1|O<2>,2|C<4>}	109.1190	0.000	1	109.1190	0.000	1	109.1190	0.000	1	109.1190	0.000	1	109.1190	0.000	1	111.0032	4.514	47
976	474	959	5:SP3_SP3_SP3	O[5]	C[5,5,6]	S[5]	4:4:	4:4:2:1:	4:2:1:1:	C[5,5,6]-4:S[5]-4:	C[3x5,6]-4:C[5,6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:O-1:O-1:	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO)	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(O[5]S[5])(H)	S[5](C[5]C[3x5,6]HH)(O[5]C[5,5,6])(O)2	O[5](C[5,5,6]C[3x5,6]C[5,6]H)(S[5]C[5]OO){3|C<4>,4|H<1>}	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HH)(O[5]S[5])(H){2|O<1>,3|C<4>,5|H<1>}	S[5](C[5]C[3x5,6]HH)(O[5]C[5,5,6])(O)2{1|H<1>,3|C<4>}	108.4050	0.000	1	108.4050	0.000	1	108.4050	0.000	1	108.4050	0.000	1	108.4050	0.000	1	111.0032	4.514	47
976	474	959	5:SP3_SP3_SP3	O[5]	C[5,5]	S[5]	4:4:	4:4:2:1:	2:2:1:1:	C[5,5]-4:S[5]-4:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:O-1:O-1:	O[5](C[5,5]C[5,5]C[5]H)(S[5]O[5]OO)	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]C[5,6]HH)(O[5]S[5])(H)	S[5](O[5]C[5,5])2(O)2	O[5](C[5,5]C[5,5]C[5]H)(S[5]O[5]OO){2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6]O[5]H)(C[5]C[5,6]HH)(O[5]S[5])(H){1|H<1>,2|O<1>,3|C<4>}	S[5](O[5]C[5,5])2(O)2{2|C<4>,2|H<1>}	110.7930	0.000	1	110.7930	0.000	1	110.7930	0.000	1	111.7490	1.828	2	111.7490	1.828	2	111.0032	4.514	47
976	474	959	5:SP3_SP3_SP3	O[5]	C[5,5]	S[5]	4:4:	4:4:2:1:	2:2:1:1:	C[5,5]-4:S[5]-4:	C[5,6]-4:C[5,5]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:O-1:O-1:	O[5](C[5,5]C[5,5]C[5,6]H)(S[5]O[5]OO)	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]S[5])(H)	S[5](O[5]C[5,5])2(O)2	O[5](C[5,5]C[5,5]C[5,6]H)(S[5]O[5]OO){1|H<1>,4|C<4>}	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(O[5]S[5])(H){2|C<4>,2|O<1>,5|H<1>}	S[5](O[5]C[5,5])2(O)2{2|C<4>,2|H<1>}	112.7050	0.000	1	112.7050	0.000	1	112.7050	0.000	1	111.7490	1.828	2	111.7490	1.828	2	111.0032	4.514	47
976	474	959	5:SP3_SP3_SP3	O[5]	C[5,6]	S[5]	4:4:	3:4:2:1:	2:2:1:1:	C[5,6]-4:S[5]-4:	C[5,6]-3:C[6]-4:O[5]-2:H-1:	N[5]-2:O[5]-2:O-1:O-1:	O[5](C[5,6]C[5,6]C[6]H)(S[5]N[5]OO)	C[5,6](C[5,6]C[6,6]N[5])(C[6]C[6]CH)(O[5]S[5])(H)	S[5](N[5]C[5,6])(O[5]C[5,6])(O)2	O[5](C[5,6]C[5,6]C[6]H)(S[5]N[5]OO){1|H<1>,3|C<4>}	C[5,6](C[5,6]C[6,6]N[5])(C[6]C[6]CH)(O[5]S[5])(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	S[5](N[5]C[5,6])(O[5]C[5,6])(O)2{1|H<1>,2|C<4>}	110.0930	0.000	1	110.0930	0.000	1	110.0930	0.000	1	110.0930	0.000	1	110.6950	0.979	5	111.0032	4.514	47
976	474	959	5:SP3_SP3_SP3	O[5]	C[5,6]	S[5]	4:4:	4:3:2:1:	2:2:1:1:	C[5,6]-4:S[5]-4:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	O[5]-2:O[5]-2:O-1:O-1:	O[5](C[5,6]C[5,6]C[6]H)(S[5]O[5]OO)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Cl)(O[5]S[5])(H)	S[5](O[5]C[5,6])2(O)2	O[5](C[5,6]C[5,6]C[6]H)(S[5]O[5]OO){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]Cl)(O[5]S[5])(H){1|C<4>,2|O<1>,3|H<1>}	S[5](O[5]C[5,6])2(O)2{1|C<3>,1|C<4>,2|H<1>}	111.8300	0.000	1	111.8300	0.000	1	111.8300	0.000	1	111.8300	0.000	1	110.6950	0.979	5	111.0032	4.514	47
976	474	959	5:SP3_SP3_SP3	O[5]	C[5,6]	S[5]	4:4:	4:4:2:1:	2:2:1:1:	C[5,6]-4:S[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5]-2:O[5]-2:O-1:O-1:	O[5](C[5,6]C[5,6]C[6]H)(S[5]O[5]OO)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]S[5])(H)	S[5](O[5]C[5,6])2(O)2	O[5](C[5,6]C[5,6]C[6]H)(S[5]O[5]OO){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(O[5]S[5])(H){1|Cl<1>,1|C<3>,2|H<1>,2|O<1>}	S[5](O[5]C[5,6])2(O)2{1|C<3>,1|C<4>,2|H<1>}	109.3160	0.000	1	109.3160	0.000	1	109.3160	0.000	1	109.3160	0.000	1	110.6950	0.979	5	111.0032	4.514	47
976	474	959	5:SP3_SP3_SP3	O[5]	C[5,6]	S[5]	4:4:	4:4:2:1:	3:2:1:1:	C[5,6]-4:S[5]-4:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	N[5]-3:O[5]-2:O-1:O-1:	O[5](C[5,6]C[5,6]C[6]H)(S[5]N[5]OO)	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6]HH)(O[5]S[5])(H)	S[5](N[5]C[5,6]C)(O[5]C[5,6])(O)2	O[5](C[5,6]C[5,6]C[6]H)(S[5]N[5]OO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5,6]N[5]O[6]H)(C[6]C[6]HH)(O[5]S[5])(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	S[5](N[5]C[5,6]C)(O[5]C[5,6])(O)2{1|C<4>,1|O<2>,2|H<1>}	111.1180	0.069	2	111.1180	0.005	2	111.1180	0.005	2	111.1180	0.005	2	110.6950	0.979	5	111.0032	4.514	47
976	474	959	5:SP3_SP3_SP3	O[5]	C[5]	S[5]	4:4:	3:2:4:4:	3:2:1:1:	C[5]-4:S[5]-4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:O[5]-2:O-1:O-1:	O[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)	C[5](C[5,6a]C[5,6a]N[6a])(O[5]S[5])(CH3)2	S[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)2	O[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO){1|C<3>,1|N<2>}	C[5](C[5,6a]C[5,6a]N[6a])(O[5]S[5])(CH3)2{2|C<3>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)2{1|H<1>,1|N<2>,1|N<3>,2|C<4>}	114.2290	0.000	1	114.7415	0.525	2	114.7415	0.525	2	114.8877	0.327	3	111.2168	5.239	36	111.0032	4.514	47
976	474	959	5:SP3_SP3_SP3	O[5]	C[5]	S[5]	4:4:	3:2:4:4:	3:2:1:1:	C[5]-4:S[5]-4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:O[5]-2:O-1:O-1:	O[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)	C[5](C[5,6a]C[5,6a]N[6a])(O[5]S[5])(CH3)2	S[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)2	O[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO){1|C<3>,1|N<2>}	C[5](C[5,6a]C[5,6a]N[6a])(O[5]S[5])(CH3)2{2|C<3>,2|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)2{1|H<1>,2|C<4>,2|N<2>}	115.2540	0.000	1	114.7415	0.525	2	114.7415	0.525	2	114.8877	0.327	3	111.2168	5.239	36	111.0032	4.514	47
976	474	959	5:SP3_SP3_SP3	O[5]	C[5]	S[5]	4:4:	3:2:4:4:	3:2:1:1:	C[5]-4:S[5]-4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-3:O[5]-2:O-1:O-1:	O[5](C[5]C[5]CC)(S[5]C[5]OO)	C[5](C[5]C[5]S)(O[5]S[5])(CH3)2	S[5](C[5]C[5]C)(O[5]C[5])(O)2	O[5](C[5]C[5]CC)(S[5]C[5]OO){1|C<3>,1|S<2>}	C[5](C[5]C[5]S)(O[5]S[5])(CH3)2{1|C<3>,2|O<1>}	S[5](C[5]C[5]C)(O[5]C[5])(O)2{1|S<2>,2|C<4>}	115.1800	0.000	1	115.1800	0.000	1	115.1800	0.000	1	114.8877	0.327	3	111.2168	5.239	36	111.0032	4.514	47
976	474	959	5:SP3_SP3_SP3	O[5]	C[5]	S[5]	4:4:	3:4:2:1:	3:2:1:1:	C[5]-4:S[5]-4:	C[6a]-3:C[5]-4:O[5]-2:H-1:	N[5]-3:O[5]-2:O-1:O-1:	O[5](C[5]C[6a]C[5]H)(S[5]N[5]OO)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]S[5])(H)	S[5](N[5]C[5]H)(O[5]C[5])(O)2	O[5](C[5]C[6a]C[5]H)(S[5]N[5]OO){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(O[5]S[5])(H){2|C<3>,2|O<1>,3|H<1>}	S[5](N[5]C[5]H)(O[5]C[5])(O)2{1|C<3>,1|C<4>,2|H<1>}	112.5830	0.000	1	112.5830	0.000	1	112.5830	0.000	1	112.5830	0.000	1	111.2168	5.239	36	111.0032	4.514	47
976	474	959	5:SP3_SP3_SP3	O[5]	C[5]	S[5]	4:4:	4:2:1:1:	3:2:1:1:	C[5]-4:S[5]-4:	C[5,3x6]-4:O[5]-2:H-1:H-1:	N[5,6,6]-3:O[5]-2:O-1:O-1:	O[5](C[5]C[5,3x6]HH)(S[5]N[5,6,6]OO)	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(O[5]S[5])(H)2	S[5](N[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(O)2	O[5](C[5]C[5,3x6]HH)(S[5]N[5,6,6]OO){3|C<4>}	C[5](C[5,3x6]N[5,6,6]C[6,6]2)(O[5]S[5])(H)2{2|O<1>,3|C<4>,4|H<1>}	S[5](N[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(O)2{3|C<4>,4|H<1>}	111.4200	0.000	1	111.4200	0.000	1	111.4200	0.000	1	110.3439	7.336	9	111.2168	5.239	36	111.0032	4.514	47
976	474	959	5:SP3_SP3_SP3	O[5]	C[5]	S[5]	4:4:	4:2:1:1:	3:2:1:1:	C[5]-4:S[5]-4:	C[5,5]-4:O[5]-2:H-1:H-1:	N[5,5]-3:O[5]-2:O-1:O-1:	O[5](C[5]C[5,5]HH)(S[5]N[5,5]OO)	C[5](C[5,5]C[5,6a]N[5,5]H)(O[5]S[5])(H)2	S[5](N[5,5]C[5,5]C[5])(O[5]C[5])(O)2	O[5](C[5]C[5,5]HH)(S[5]N[5,5]OO){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]H)(O[5]S[5])(H)2{1|C<4>,2|C<3>,2|O<1>}	S[5](N[5,5]C[5,5]C[5])(O[5]C[5])(O)2{1|C<4>,2|C<3>,4|H<1>}	111.0977	5.125	3	111.0977	26.269	3	111.0977	26.269	3	110.3439	7.336	9	111.2168	5.239	36	111.0032	4.514	47
976	474	959	5:SP3_SP3_SP3	O[5]	C[5]	S[5]	4:4:	4:2:1:1:	3:2:1:1:	C[5]-4:S[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:O[5]-2:O-1:O-1:	O[5](C[5]C[5]HH)(S[5]N[5]OO)	C[5](C[5]C[6a]2N[5])(O[5]S[5])(H)2	S[5](N[5]C[5]H)(O[5]C[5])(O)2	O[5](C[5]C[5]HH)(S[5]N[5]OO){1|H<1>,2|C<3>}	C[5](C[5]C[6a]2N[5])(O[5]S[5])(H)2{1|H<1>,2|O<1>,4|C<3>}	S[5](N[5]C[5]H)(O[5]C[5])(O)2{2|C<3>,2|H<1>}	109.0790	0.000	1	109.0790	0.000	1	109.6764	0.266	5	110.3439	7.336	9	111.2168	5.239	36	111.0032	4.514	47
976	474	959	5:SP3_SP3_SP3	O[5]	C[5]	S[5]	4:4:	4:2:1:1:	3:2:1:1:	C[5]-4:S[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:O[5]-2:O-1:O-1:	O[5](C[5]C[5]HH)(S[5]N[5]OO)	C[5](C[5]C[6a]N[5]C)(O[5]S[5])(H)2	S[5](N[5]C[5]H)(O[5]C[5])(O)2	O[5](C[5]C[5]HH)(S[5]N[5]OO){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5]C)(O[5]S[5])(H)2{1|H<1>,2|C<3>,2|O<1>}	S[5](N[5]C[5]H)(O[5]C[5])(O)2{1|C<3>,1|C<4>,2|H<1>}	110.2370	0.000	1	110.2370	0.000	1	109.6764	0.266	5	110.3439	7.336	9	111.2168	5.239	36	111.0032	4.514	47
976	474	959	5:SP3_SP3_SP3	O[5]	C[5]	S[5]	4:4:	4:2:1:1:	3:2:1:1:	C[5]-4:S[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:O[5]-2:O-1:O-1:	O[5](C[5]C[5]HH)(S[5]N[5]OO)	C[5](C[5]N[5]CC)(O[5]S[5])(H)2	S[5](N[5]C[5]H)(O[5]C[5])(O)2	O[5](C[5]C[5]HH)(S[5]N[5]OO){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]CC)(O[5]S[5])(H)2{1|H<1>,2|O<1>}	S[5](N[5]C[5]H)(O[5]C[5])(O)2{1|C<3>,1|C<4>,2|H<1>}	109.7190	0.621	2	109.7190	0.385	2	109.6764	0.266	5	110.3439	7.336	9	111.2168	5.239	36	111.0032	4.514	47
976	474	959	5:SP3_SP3_SP3	O[5]	C[5]	S[5]	4:4:	4:2:1:1:	3:2:1:1:	C[5]-4:S[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	N[5]-3:O[5]-2:O-1:O-1:	O[5](C[5]C[5]HH)(S[5]N[5]OO)	C[5](C[5]N[5]CH)(O[5]S[5])(H)2	S[5](N[5]C[5]C)(O[5]C[5])(O)2	O[5](C[5]C[5]HH)(S[5]N[5]OO){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(O[5]S[5])(H)2{1|C<4>,2|O<1>}	S[5](N[5]C[5]C)(O[5]C[5])(O)2{1|C<3>,3|H<1>}	109.6280	0.000	1	109.6280	0.000	1	109.6764	0.266	5	110.3439	7.336	9	111.2168	5.239	36	111.0032	4.514	47
976	474	959	5:SP3_SP3_SP3	O[5]	C[5]	S[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:S[5]-4:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-4:O[5]-2:O-1:O-1:	O[5](C[5]C[5,5]HH)(S[5]C[5,5]OO)	C[5](C[5,5]C[5,5]C[5]H)(O[5]S[5])(H)2	S[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(O)2	O[5](C[5]C[5,5]HH)(S[5]C[5,5]OO){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]S[5])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	S[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(O)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	108.1780	0.000	1	108.1780	0.000	1	108.1780	0.000	1	111.4054	3.818	5	111.2168	5.239	36	111.0032	4.514	47
976	474	959	5:SP3_SP3_SP3	O[5]	C[5]	S[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:S[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:O-1:O-1:	O[5](C[5]C[5]HH)(S[5]C[5]OO)	C[5](C[5]C[5]HH)(O[5]S[5])(H)2	S[5](C[5]C[5]HH)(O[5]C[5])(O)2	O[5](C[5]C[5]HH)(S[5]C[5]OO){4|H<1>}	C[5](C[5]C[5]HH)(O[5]S[5])(H)2{2|H<1>,2|O<1>}	S[5](C[5]C[5]HH)(O[5]C[5])(O)2{4|H<1>}	112.2122	0.867	4	112.2122	0.751	4	112.2122	0.751	4	111.4054	3.818	5	111.2168	5.239	36	111.0032	4.514	47
976	474	959	5:SP3_SP3_SP3	O[5]	C[5]	S[5]	4:4:	4:2:3:1:	3:2:1:1:	C[5]-4:S[5]-4:	C[5,5]-4:O[5]-2:C-3:H-1:	N[5,5]-3:O[5]-2:O-1:O-1:	O[5](C[5]C[5,5]CH)(S[5]N[5,5]OO)	C[5](C[5,5]C[5,6a]N[5,5]H)(O[5]S[5])(COO)(H)	S[5](N[5,5]C[5,5]C[5])(O[5]C[5])(O)2	O[5](C[5]C[5,5]CH)(S[5]N[5,5]OO){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]C[5,6a]N[5,5]H)(O[5]S[5])(COO)(H){1|C<4>,2|C<3>,2|O<1>}	S[5](N[5,5]C[5,5]C[5])(O[5]C[5])(O)2{1|C<4>,3|C<3>,3|H<1>}	108.3570	0.000	1	108.3570	0.000	1	108.3570	0.000	1	110.5570	9.680	2	111.2168	5.239	36	111.0032	4.514	47
976	474	959	5:SP3_SP3_SP3	O[5]	C[5]	S[5]	4:4:	4:2:3:1:	3:2:1:1:	C[5]-4:S[5]-4:	C[5]-4:O[5]-2:C-3:H-1:	N[5]-3:O[5]-2:O-1:O-1:	O[5](C[5]C[5]CH)(S[5]N[5]OO)	C[5](C[5]C[6a]N[5]H)(O[5]S[5])(COO)(H)	S[5](N[5]C[5]H)(O[5]C[5])(O)2	O[5](C[5]C[5]CH)(S[5]N[5]OO){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]S[5])(COO)(H){1|H<1>,2|C<3>,2|O<1>}	S[5](N[5]C[5]H)(O[5]C[5])(O)2{2|C<3>,2|H<1>}	112.7570	0.000	1	112.7570	0.000	1	112.7570	0.000	1	110.5570	9.680	2	111.2168	5.239	36	111.0032	4.514	47
976	474	959	5:SP3_SP3_SP3	O[5]	C[5]	S[5]	4:4:	4:2:4:1:	3:2:1:1:	C[5]-4:S[5]-4:	C[5]-4:O[5]-2:C-4:H-1:	N[5]-3:O[5]-2:O-1:O-1:	O[5](C[5]C[5]CH)(S[5]N[5]OO)	C[5](C[5]N[5]HH)(O[5]S[5])(CH3)(H)	S[5](N[5]C[5]C)(O[5]C[5])(O)2	O[5](C[5]C[5]CH)(S[5]N[5]OO){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(O[5]S[5])(CH3)(H){1|C<3>,2|O<1>}	S[5](N[5]C[5]C)(O[5]C[5])(O)2{1|C<4>,3|H<1>}	110.9735	1.056	2	110.9735	1.115	2	110.9735	1.115	2	110.2898	2.498	9	111.2168	5.239	36	111.0032	4.514	47
976	474	959	5:SP3_SP3_SP3	O[5]	C[5]	S[5]	4:4:	4:2:4:1:	3:2:1:1:	C[5]-4:S[5]-4:	C[5]-4:O[5]-2:P-4:H-1:	N[5]-3:O[5]-2:O-1:O-1:	O[5](C[5]C[5]HP)(S[5]N[5]OO)	C[5](C[5]C[6a]N[5]H)(O[5]S[5])(PO3)(H)	S[5](N[5]C[5]C)(O[5]C[5])(O)2	O[5](C[5]C[5]HP)(S[5]N[5]OO){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(O[5]S[5])(PO3)(H){2|O<1>,3|C<3>}	S[5](N[5]C[5]C)(O[5]C[5])(O)2{1|C<3>,1|P<4>,2|H<1>}	108.6373	0.200	3	108.6373	0.040	3	110.0944	2.945	7	110.2898	2.498	9	111.2168	5.239	36	111.0032	4.514	47
976	474	959	5:SP3_SP3_SP3	O[5]	C[5]	S[5]	4:4:	4:2:4:1:	3:2:1:1:	C[5]-4:S[5]-4:	C[5]-4:O[5]-2:P-4:H-1:	N[5]-3:O[5]-2:O-1:O-1:	O[5](C[5]C[5]HP)(S[5]N[5]OO)	C[5](C[5]C[6a]N[5]H)(O[5]S[5])(PO3)(H)	S[5](N[5]C[5]H)(O[5]C[5])(O)2	O[5](C[5]C[5]HP)(S[5]N[5]OO){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]S[5])(PO3)(H){1|H<1>,2|C<3>,2|O<1>}	S[5](N[5]C[5]H)(O[5]C[5])(O)2{1|C<3>,1|P<4>,2|H<1>}	112.0075	0.176	2	112.0075	0.031	2	110.0944	2.945	7	110.2898	2.498	9	111.2168	5.239	36	111.0032	4.514	47
976	474	959	5:SP3_SP3_SP3	O[5]	C[5]	S[5]	4:4:	4:2:4:1:	3:2:1:1:	C[5]-4:S[5]-4:	C[5]-4:O[5]-2:P-4:H-1:	N[5]-3:O[5]-2:O-1:O-1:	O[5](C[5]C[5]HP)(S[5]N[5]OO)	C[5](C[5]N[5]CH)(O[5]S[5])(PO3)(H)	S[5](N[5]C[5]H)(O[5]C[5])(O)2	O[5](C[5]C[5]HP)(S[5]N[5]OO){1|C<4>,2|H<1>}	C[5](C[5]N[5]CH)(O[5]S[5])(PO3)(H){1|H<1>,2|O<1>}	S[5](N[5]C[5]H)(O[5]C[5])(O)2{1|C<4>,1|P<4>,2|H<1>}	110.3670	1.929	2	110.3670	3.721	2	110.0944	2.945	7	110.2898	2.498	9	111.2168	5.239	36	111.0032	4.514	47
976	474	959	5:SP3_SP3_SP3	O[5]	C[5]	S[5]	4:4:	4:2:4:3:	3:2:1:1:	C[5]-4:S[5]-4:	C[5]-4:O[5]-2:C-4:C-3:	N[5]-3:O[5]-2:O-1:O-1:	O[5](C[5]C[5]CC)(S[5]N[5]OO)	C[5](C[5]N[5]HH)(O[5]S[5])(CH3)(CNO)	S[5](N[5]C[5]C)(O[5]C[5])(O)2	O[5](C[5]C[5]CC)(S[5]N[5]OO){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(O[5]S[5])(CH3)(CNO){1|C<3>,2|O<1>}	S[5](N[5]C[5]C)(O[5]C[5])(O)2{1|C<3>,1|C<4>,2|H<1>}	113.8470	0.000	1	113.8470	0.000	1	113.1100	1.086	2	113.1100	1.086	2	111.2168	5.239	36	111.0032	4.514	47
976	474	959	5:SP3_SP3_SP3	O[5]	C[5]	S[5]	4:4:	4:2:4:3:	3:2:1:1:	C[5]-4:S[5]-4:	C[5]-4:O[5]-2:C-4:C-3:	N[5]-3:O[5]-2:O-1:O-1:	O[5](C[5]C[5]CC)(S[5]N[5]OO)	C[5](C[5]N[5]HH)(O[5]S[5])(CH3)(COO)	S[5](N[5]C[5]C)(O[5]C[5])(O)2	O[5](C[5]C[5]CC)(S[5]N[5]OO){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(O[5]S[5])(CH3)(COO){1|C<3>,2|O<1>}	S[5](N[5]C[5]C)(O[5]C[5])(O)2{1|C<3>,1|C<4>,2|H<1>}	112.3730	0.000	1	112.3730	0.000	1	113.1100	1.086	2	113.1100	1.086	2	111.2168	5.239	36	111.0032	4.514	47
976	474	959	5:SP3_SP3_SP3	O[5]	C[5]	S[5]	4:4:	4:3:2:1:	2:2:1:1:	C[5]-4:S[5]-4:	C[5]-4:C[5]-3:O[5]-2:H-1:	N[5]-2:O[5]-2:O-1:O-1:	O[5](C[5]C[5]2H)(S[5]N[5]OO)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]N[5])(O[5]S[5])(H)	S[5](N[5]C[5])(O[5]C[5])(O)2	O[5](C[5]C[5]2H)(S[5]N[5]OO){4|C<3>}	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]N[5])(O[5]S[5])(H){1|N<3>,3|O<1>,4|C<3>}	S[5](N[5]C[5])(O[5]C[5])(O)2{1|C<3>,1|C<4>,1|H<1>}	112.1965	0.168	2	112.1965	0.028	2	112.1965	0.028	2	112.1965	0.028	2	111.2168	5.239	36	111.0032	4.514	47
976	474	959	5:SP3_SP3_SP3	O[5]	C[5]	S[5]	4:4:	4:3:2:1:	3:2:1:1:	C[5]-4:S[5]-4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	N[5]-3:O[5]-2:O-1:O-1:	O[5](C[5]C[6a]C[5]H)(S[5]N[5]OO)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]S[5])(H)	S[5](N[5]C[5]H)(O[5]C[5])(O)2	O[5](C[5]C[6a]C[5]H)(S[5]N[5]OO){2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]S[5])(H){2|O<1>,3|H<1>,4|C<3>}	S[5](N[5]C[5]H)(O[5]C[5])(O)2{2|C<3>,2|H<1>}	113.2940	0.000	1	113.2940	0.000	1	113.2940	0.000	1	113.2940	0.000	1	111.2168	5.239	36	111.0032	4.514	47
976	474	959	5:SP3_SP3_SP3	O[5]	C[5]	S[5]	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:S[5]-4:	C[5]-4:C-4:O[5]-2:H-1:	N[5]-3:O[5]-2:O-1:O-1:	O[5](C[5]C[5]CH)(S[5]N[5]OO)	C[5](C[5]C[6a]N[5]H)(CC[6a]HH)(O[5]S[5])(H)	S[5](N[5]C[5]C)(O[5]C[5])(O)2	O[5](C[5]C[5]CH)(S[5]N[5]OO){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(CC[6a]HH)(O[5]S[5])(H){2|O<1>,3|C<3>}	S[5](N[5]C[5]C)(O[5]C[5])(O)2{1|C<3>,1|C<4>,2|H<1>}	109.5740	0.000	1	109.5740	0.000	1	109.5740	0.000	1	109.4045	0.057	2	111.2168	5.239	36	111.0032	4.514	47
976	474	959	5:SP3_SP3_SP3	O[5]	C[5]	S[5]	4:4:	4:4:2:1:	3:2:1:1:	C[5]-4:S[5]-4:	C[5]-4:C[5]-4:O[5]-2:H-1:	N[5]-3:O[5]-2:O-1:O-1:	O[5](C[5]C[5]2H)(S[5]N[5]OO)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]N[5]H)(O[5]S[5])(H)	S[5](N[5]C[5]H)(O[5]C[5])(O)2	O[5](C[5]C[5]2H)(S[5]N[5]OO){2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]C)(C[5]C[6a]N[5]H)(O[5]S[5])(H){1|H<1>,1|N<3>,3|O<1>,4|C<3>}	S[5](N[5]C[5]H)(O[5]C[5])(O)2{1|C<3>,1|C<4>,2|H<1>}	109.2350	0.000	1	109.2350	0.000	1	109.2350	0.000	1	109.4045	0.057	2	111.2168	5.239	36	111.0032	4.514	47
976	474	959	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	S[5,6]	4:4:	4:4:2:1:	3:2:1:1:	C[5,5,6]-4:S[5,6]-4:	C[5,5]-4:C[5,6]-4:O[5,6]-2:H-1:	N[5,5,6]-3:O[5,6]-2:O-1:O-1:	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(S[5,6]N[5,5,6]OO)	C[5,5,6](C[5,5]N[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(O[5,6]S[5,6])(H)	S[5,6](N[5,5,6]C[5,5]C[5,6])(O[5,6]C[5,5,6])(O)2	O[5,6](C[5,5,6]C[5,5]C[5,6]H)(S[5,6]N[5,5,6]OO){1|C<3>,1|C<4>,3|H<1>}	C[5,5,6](C[5,5]N[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(O[5,6]S[5,6])(H){2|C<3>,2|H<1>,2|O<1>}	S[5,6](N[5,5,6]C[5,5]C[5,6])(O[5,6]C[5,5,6])(O)2{1|C<3>,1|C<4>,4|H<1>}	107.5040	0.000	1	107.5040	0.000	1	107.5040	0.000	1	107.5040	0.000	1	107.5040	0.000	1	107.5040	0.000	1
976	474	960	5:SP2_SP2_SP3	O[5]	C[3x5]	N[5]	4:2:	4:2:3:2:	3:2:	C[3x5]-4:N[5]-2:	C[3x5]-4:O[5]-2:N[5]-3:O[5]-2:	C[5]-3:O[5]-2:	O[5](C[3x5]C[3x5]N[5]O[5])(N[5]C[5])	C[3x5](C[3x5]C[5,6a]C[5]2)(O[5]C[5,6a])(N[5]C[5]H)(O[5]N[5])	N[5](C[5]C[3x5]C)(O[5]C[3x5])	O[5](C[3x5]C[3x5]N[5]O[5])(N[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	C[3x5](C[3x5]C[5,6a]C[5]2)(O[5]C[5,6a])(N[5]C[5]H)(O[5]N[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[3x5]C)(O[5]C[3x5]){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	107.7560	0.000	2	107.7560	0.000	2	107.7560	0.000	2	107.7560	0.000	2	107.7560	0.000	2	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5,6,6]	N[5]	4:2:	3:3:4:2:	3:2:	C[5,5,6,6]-4:N[5]-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:O[5]-2:	C[5]-3:O[5]-2:	O[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(O[5]N[5])	N[5](C[5]C[5,5,6,6]C[6a])(O[5]C[5,5,6,6])	O[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]){7|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(O[5]N[5]){9|C<3>}	N[5](C[5]C[5,5,6,6]C[6a])(O[5]C[5,5,6,6]){1|N<2>,5|C<3>}	110.5660	0.000	1	110.5660	0.000	1	110.3085	0.133	2	110.3085	0.133	2	110.3085	0.133	2	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5,6,6]	N[5]	4:2:	3:3:4:2:	3:2:	C[5,5,6,6]-4:N[5]-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:O[5]-2:	C[5]-3:O[5]-2:	O[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(O[5]N[5])	N[5](C[5]C[5,5,6,6]C[6a])(O[5]C[5,5,6,6])	O[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]){7|C<3>}	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(O[5]N[5]){9|C<3>}	N[5](C[5]C[5,5,6,6]C[6a])(O[5]C[5,5,6,6]){6|C<3>}	110.0510	0.000	1	110.0510	0.000	1	110.3085	0.133	2	110.3085	0.133	2	110.3085	0.133	2	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5,6]	N[5]	4:2:	3:3:2:2:	3:2:	C[5,5,6]-4:N[5]-2:	N[5,6]-3:N[5,6]-3:O[5]-2:S[5]-2:	C[5]-3:O[5]-2:	O[5](C[5,5,6]N[5,6]2S[5])(N[5]C[5])	C[5,5,6](N[5,6]C[5]C[6])2(O[5]N[5])(S[5]C[5])	N[5](C[5]N[5,6]C[6a])(O[5]C[5,5,6])	O[5](C[5,5,6]N[5,6]2S[5])(N[5]C[5]){2|C<4>,3|C<3>}	C[5,5,6](N[5,6]C[5]C[6])2(O[5]N[5])(S[5]C[5]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	N[5](C[5]N[5,6]C[6a])(O[5]C[5,5,6]){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	109.5600	0.000	1	109.5600	0.000	1	109.5600	0.000	1	109.5600	0.000	1	109.7336	0.023	7	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5,6]	N[5]	4:2:	4:4:2:1:	3:2:	C[5,5,6]-4:N[5]-2:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5]-3:O[5]-2:	O[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(H)	N[5](C[5]C[5,5,6]C)(O[5]C[5,5,6])	O[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	N[5](C[5]C[5,5,6]C)(O[5]C[5,5,6]){2|C<4>,2|H<1>}	109.5110	0.000	1	109.5110	0.000	1	109.7390	0.022	5	109.7390	0.022	5	109.7336	0.023	7	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5,6]	N[5]	4:2:	4:4:2:1:	3:2:	C[5,5,6]-4:N[5]-2:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5]-3:O[5]-2:	O[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(H)	N[5](C[5]C[5,5,6]C[6a])(O[5]C[5,5,6])	O[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(H){1|C<3>,1|C<4>,5|H<1>}	N[5](C[5]C[5,5,6]C[6a])(O[5]C[5,5,6]){2|C<3>,2|C<4>,2|H<1>}	109.8025	0.009	2	109.8025	0.000	2	109.7390	0.022	5	109.7390	0.022	5	109.7336	0.023	7	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5,6]	N[5]	4:2:	4:4:2:1:	3:2:	C[5,5,6]-4:N[5]-2:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5]-3:O[5]-2:	O[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]O[5,6]H)(O[5]N[5])(H)	N[5](C[5]C[5,5,6]C)(O[5]C[5,5,6])	O[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]){1|O<2>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]O[5,6]H)(O[5]N[5])(H){1|C<4>,1|N<3>,3|H<1>}	N[5](C[5]C[5,5,6]C)(O[5]C[5,5,6]){2|C<4>,2|H<1>}	109.6830	0.000	1	109.6830	0.000	1	109.7390	0.022	5	109.7390	0.022	5	109.7336	0.023	7	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5,6]	N[5]	4:2:	4:4:2:1:	3:2:	C[5,5,6]-4:N[5]-2:	C[5,5,6]-4:C[5,5,6]-4:O[5]-2:H-1:	C[5]-3:O[5]-2:	O[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5])	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(O[5]N[5])(H)	N[5](C[5]C[5,5,6]C)(O[5]C[5,5,6])	O[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,5,6]C[5,5,6]C[5]H)(O[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5,5,6]C)(O[5]C[5,5,6]){2|C<4>,2|H<1>}	109.8960	0.000	1	109.8960	0.000	1	109.7390	0.022	5	109.7390	0.022	5	109.7336	0.023	7	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5,6]	N[5]	4:2:	4:4:2:4:	3:2:	C[5,5,6]-4:N[5]-2:	C[3x5,6]-4:C[5,5,6]-4:O[5]-2:C-4:	C[5,5]-3:O[5]-2:	O[5](C[5,5,6]C[3x5,6]C[5,5,6]C)(N[5]C[5,5])	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(CH3)	N[5](C[5,5]C[3x5,6]C[5])(O[5]C[5,5,6])	O[5](C[5,5,6]C[3x5,6]C[5,5,6]C)(N[5]C[5,5]){1|C<3>,1|H<1>,4|C<4>}	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]C[5])(C[5,5,6]C[5,5]C[5,6]H)(O[5]N[5])(CH3){1|C<3>,2|C<4>,6|H<1>}	N[5](C[5,5]C[3x5,6]C[5])(O[5]C[5,5,6]){2|H<1>,5|C<4>}	109.8800	0.000	1	109.8800	0.000	1	109.8800	0.000	1	109.8800	0.000	1	109.7336	0.023	7	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5]	N[5]	4:2:	3:3:2:2:	3:2:	C[5,5]-4:N[5]-2:	C[6a]-3:N[5,5]-3:O[5]-2:O[5]-2:	C[5]-3:O[5]-2:	O[5](C[5,5]N[5,5]C[6a]O[5])(N[5]C[5])	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(O[5]C[5])(O[5]N[5])	N[5](C[5]N[5,5]C[6a])(O[5]C[5,5])	O[5](C[5,5]N[5,5]C[6a]O[5])(N[5]C[5]){2|C<4>,3|C<3>}	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(O[5]C[5])(O[5]N[5]){3|C<3>,6|H<1>}	N[5](C[5]N[5,5]C[6a])(O[5]C[5,5]){1|C<4>,1|O<2>,3|C<3>}	108.7330	0.000	1	108.7330	0.000	1	108.7330	0.000	1	108.7330	0.000	1	109.2890	1.662	40	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5]	N[5]	4:2:	3:3:4:2:	3:2:	C[5,5]-4:N[5]-2:	C[5a]-3:N[5,5]-3:C[5]-4:O[5]-2:	C[5]-3:O[5]-2:	O[5](C[5,5]N[5,5]C[5a]C[5])(N[5]C[5])	C[5,5](C[5a]N[5a]O[5a])(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]N[5])	N[5](C[5]N[5,5]C[6a])(O[5]C[5,5])	O[5](C[5,5]N[5,5]C[5a]C[5])(N[5]C[5]){1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5a]N[5a]O[5a])(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]N[5]){1|N<2>,2|C<3>,4|H<1>}	N[5](C[5]N[5,5]C[6a])(O[5]C[5,5]){2|C<4>,3|C<3>}	107.2470	0.000	1	107.2470	0.000	1	107.2470	0.000	1	107.2470	0.000	1	109.2890	1.662	40	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5]	N[5]	4:2:	3:4:3:2:	2:3:	C[5,5]-4:N[5]-2:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	O[5]-2:C[5]-3:	O[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(O[5]N[5])	N[5](O[5]C[5,5])(C[5]C[5]H)	O[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]){1|N<2>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(O[5]N[5]){2|H<1>,6|C<3>}	N[5](O[5]C[5,5])(C[5]C[5]H){1|H<1>,3|C<3>}	109.0280	0.000	2	109.0280	0.000	2	109.0280	0.000	2	109.0280	0.000	2	109.2890	1.662	40	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5]	N[5]	4:2:	3:4:3:2:	3:2:	C[5,5]-4:N[5]-2:	C[5,6a]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-3:O[5]-2:	O[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5])	N[5](C[5]C[6a]C[5])(O[5]C[5,5])	O[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5]){1|H<1>,6|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5,5]){1|H<1>,5|C<3>}	109.3740	0.000	1	109.3740	0.000	1	109.3740	0.000	1	109.4820	0.023	2	109.2890	1.662	40	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5]	N[5]	4:2:	3:4:3:2:	3:2:	C[5,5]-4:N[5]-2:	N[5]-3:C[5]-4:C[5]-3:O[5]-2:	C[5]-3:O[5]-2:	O[5](C[5,5]C[5]2N[5])(N[5]C[5])	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)(O[5]N[5])	N[5](C[5]C[6a]C[5])(O[5]C[5,5])	O[5](C[5,5]C[5]2N[5])(N[5]C[5]){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]N[5]O)(O[5]N[5]){1|C<4>,1|O<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5,5]){1|N<3>,2|H<1>,3|C<3>}	109.5900	0.000	1	109.5900	0.000	1	109.5900	0.000	1	109.4820	0.023	2	109.2890	1.662	40	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5]	N[5]	4:2:	3:4:4:2:	3:2:	C[5,5]-4:N[5]-2:	C[5]-3:C[5]-4:C[5]-4:O[5]-2:	C[5]-3:O[5]-2:	O[5](C[5,5]C[5]3)(N[5]C[5])	C[5,5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[5]O[5]CC)(O[5]N[5])	N[5](C[5]C[6a]C[5])(O[5]C[5,5])	O[5](C[5,5]C[5]3)(N[5]C[5]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[5]O[5]CC)(O[5]N[5]){3|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5,5]){1|C<4>,2|H<1>,3|C<3>}	109.8600	0.000	1	109.8600	0.000	1	109.8600	0.000	1	109.6795	0.065	2	109.2890	1.662	40	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5]	N[5]	4:2:	3:4:4:2:	3:2:	C[5,5]-4:N[5]-2:	N[5]-3:C[5]-4:C[5]-4:O[5]-2:	C[5]-3:O[5]-2:	O[5](C[5,5]C[5]2N[5])(N[5]C[5])	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]O[5]CC)(O[5]N[5])	N[5](C[5]C[6a]C[5])(O[5]C[5,5])	O[5](C[5,5]C[5]2N[5])(N[5]C[5]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(C[5]O[5]CC)(O[5]N[5]){1|O<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5,5]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	109.4990	0.000	1	109.4990	0.000	1	109.4990	0.000	1	109.6795	0.065	2	109.2890	1.662	40	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5]	N[5]	4:2:	4:3:2:1:	3:2:	C[5,5]-4:N[5]-2:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:O[5]-2:	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6,6])(O[5]N[5])(H)	N[5](C[5]C[5,5]C[6a])(O[5]C[5,5])	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6,6])(O[5]N[5])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,5]C[6a])(O[5]C[5,5]){1|C<4>,2|H<1>,3|C<3>}	108.1230	0.000	1	108.1230	0.000	1	108.8720	1.122	2	108.8720	1.122	2	109.2890	1.662	40	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5]	N[5]	4:2:	4:3:2:1:	3:2:	C[5,5]-4:N[5]-2:	C[5,5]-4:C[5]-3:O[5]-2:H-1:	C[5]-3:O[5]-2:	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5])	C[5,5](C[5,5]C[5]S[5]H)(C[5]N[5]O)(O[5]N[5])(H)	N[5](C[5]C[5,5]C[6a])(O[5]C[5,5])	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<4>}	C[5,5](C[5,5]C[5]S[5]H)(C[5]N[5]O)(O[5]N[5])(H){1|C<3>,1|C<4>,2|O<1>}	N[5](C[5]C[5,5]C[6a])(O[5]C[5,5]){1|S<4>,2|H<1>,3|C<3>}	109.6210	0.000	1	109.6210	0.000	1	108.8720	1.122	2	108.8720	1.122	2	109.2890	1.662	40	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5]	N[5]	4:2:	4:3:2:2:	3:2:	C[5,5]-4:N[5]-2:	C[5]-4:C[5]-3:O[5]-2:S[5]-2:	C[5]-3:O[5]-2:	O[5](C[5,5]C[5]2S[5])(N[5]C[5])	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(O[5]N[5])(S[5]C[5])	N[5](C[5]C[6a]S[5])(O[5]C[5,5])	O[5](C[5,5]C[5]2S[5])(N[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(O[5]N[5])(S[5]C[5]){3|C<3>}	N[5](C[5]C[6a]S[5])(O[5]C[5,5]){1|C<4>,3|C<3>}	114.5110	0.000	1	114.5110	0.000	1	112.5110	8.000	2	110.0308	7.308	5	109.2890	1.662	40	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5]	N[5]	4:2:	4:3:2:2:	3:2:	C[5,5]-4:N[5]-2:	C[5]-4:C[5]-3:O[5]-2:S[5]-2:	C[5]-3:O[5]-2:	O[5](C[5,5]C[5]2S[5])(N[5]C[5])	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5])(S[5]C[5])	N[5](C[5]C[6a]C[5])(O[5]C[5,5])	O[5](C[5,5]C[5]2S[5])(N[5]C[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]N[5]O)(O[5]N[5])(S[5]C[5]){1|C<4>,1|O<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5,5]){1|H<1>,1|S<2>,4|C<3>}	110.5110	0.000	1	110.5110	0.000	1	112.5110	8.000	2	110.0308	7.308	5	109.2890	1.662	40	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5]	N[5]	4:2:	4:3:2:2:	3:2:	C[5,5]-4:N[5]-2:	C[5]-4:C[5]-3:S[5]-2:O[5]-2:	C[5]-3:O[5]-2:	O[5](C[5,5]C[5]2S[5])(N[5]C[5])	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(S[5]C[5,6a])(O[5]N[5])	N[5](C[5]C[6a]C[5])(O[5]C[5,5])	O[5](C[5,5]C[5]2S[5])(N[5]C[5]){1|H<1>,1|O<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(S[5]C[5,6a])(O[5]N[5]){5|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5,5]){1|H<1>,1|S<2>,4|C<3>}	108.3773	0.604	3	108.3773	0.364	3	108.3773	0.364	3	110.0308	7.308	5	109.2890	1.662	40	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5]	N[5]	4:2:	4:3:3:2:	2:3:	C[5,5]-4:N[5]-2:	C[5]-4:C[5]-3:N[5]-3:O[5]-2:	O[5]-2:C[5]-3:	O[5](C[5,5]C[5]2N[5])(N[5]C[5])	C[5,5](C[5]C[5]HH)(C[5]C[5]O)(N[5]C[5]C)(O[5]N[5])	N[5](O[5]C[5,5])(C[5]C[5]2)	O[5](C[5,5]C[5]2N[5])(N[5]C[5]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,5](C[5]C[5]HH)(C[5]C[5]O)(N[5]C[5]C)(O[5]N[5]){1|O<1>,3|C<4>}	N[5](O[5]C[5,5])(C[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	109.5810	0.000	1	109.5810	0.000	1	109.7215	0.039	2	109.7215	0.039	2	109.2890	1.662	40	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5]	N[5]	4:2:	4:3:3:2:	2:3:	C[5,5]-4:N[5]-2:	C[5]-4:C[5]-3:N[5]-3:O[5]-2:	O[5]-2:C[5]-3:	O[5](C[5,5]C[5]2N[5])(N[5]C[5])	C[5,5](C[5]C[5]HH)(C[5]C[5]O)(N[5]C[5]C)(O[5]N[5])	N[5](O[5]C[5,5])(C[5]C[5]C)	O[5](C[5,5]C[5]2N[5])(N[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5]C[5]HH)(C[5]C[5]O)(N[5]C[5]C)(O[5]N[5]){1|C<3>,1|O<1>,2|C<4>}	N[5](O[5]C[5,5])(C[5]C[5]C){1|C<3>,1|N<3>,2|H<1>}	109.8620	0.000	1	109.8620	0.000	1	109.7215	0.039	2	109.7215	0.039	2	109.2890	1.662	40	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5]	N[5]	4:2:	4:3:3:2:	3:2:	C[5,5]-4:N[5]-2:	C[5,5]-4:C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:O[5]-2:	O[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5])	C[5,5](C[5,5]C[5]S[5]H)(C[6a]C[6a]2)(C[5]N[5]N)(O[5]N[5])	N[5](C[5]C[5,5]C)(O[5]C[5,5])	O[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5]){1|H<1>,1|N<2>,1|N<3>,1|S<4>,3|C<3>}	C[5,5](C[5,5]C[5]S[5]H)(C[6a]C[6a]2)(C[5]N[5]N)(O[5]N[5]){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,5]C)(O[5]C[5,5]){1|H<1>,1|S<4>,2|C<3>}	110.5060	0.000	1	110.5060	0.000	1	110.2097	0.109	3	110.1830	1.021	7	109.2890	1.662	40	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5]	N[5]	4:2:	4:3:3:2:	3:2:	C[5,5]-4:N[5]-2:	C[5,5]-4:C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:O[5]-2:	O[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5])	C[5,5](C[5,5]C[5]S[5]S)(C[6a]C[6a]2)(C[5]N[5]N)(O[5]N[5])	N[5](C[5]C[5,5]C[6a])(O[5]C[5,5])	O[5](C[5,5]C[5,5]C[6a]C[5])(N[5]C[5]){1|N<2>,1|N<3>,1|S<3>,1|S<4>,3|C<3>}	C[5,5](C[5,5]C[5]S[5]S)(C[6a]C[6a]2)(C[5]N[5]N)(O[5]N[5]){2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,5]C[6a])(O[5]C[5,5]){1|S<3>,1|S<4>,4|C<3>}	110.0615	0.295	2	110.0615	0.087	2	110.2097	0.109	3	110.1830	1.021	7	109.2890	1.662	40	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5]	N[5]	4:2:	4:3:3:2:	3:2:	C[5,5]-4:N[5]-2:	C[5,5]-4:C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:O[5]-2:	O[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[5])	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]O[5]C)(O[5]N[5])	N[5](C[5]C[5,5]C[6a])(O[5]C[5,5])	O[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[5]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]O[5]C)(O[5]N[5]){1|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[5,5]C[6a])(O[5]C[5,5]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	110.3050	0.000	1	110.8327	0.262	3	110.8327	0.262	3	110.1830	1.021	7	109.2890	1.662	40	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5]	N[5]	4:2:	4:3:3:2:	3:2:	C[5,5]-4:N[5]-2:	C[5,5]-4:C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:O[5]-2:	O[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[5])	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]O[5]C)(O[5]N[5])	N[5](C[5]C[5,5]C[6a])(O[5]C[5,5])	O[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[5]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]O[5]C)(O[5]N[5]){3|C<3>,4|H<1>}	N[5](C[5]C[5,5]C[6a])(O[5]C[5,5]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	111.0965	0.327	2	110.8327	0.262	3	110.8327	0.262	3	110.1830	1.021	7	109.2890	1.662	40	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5]	N[5]	4:2:	4:3:3:2:	3:2:	C[5,5]-4:N[5]-2:	C[5]-4:C[5]-3:N[5]-3:O[5]-2:	C[5]-3:O[5]-2:	O[5](C[5,5]C[5]2N[5])(N[5]C[5])	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(O[5]N[5])	N[5](C[5]C[6a]C[5])(O[5]C[5,5])	O[5](C[5,5]C[5]2N[5])(N[5]C[5]){1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(O[5]N[5]){5|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5,5]){1|H<1>,1|N<3>,4|C<3>}	108.1540	0.000	1	108.1540	0.000	1	108.1540	0.000	1	110.1830	1.021	7	109.2890	1.662	40	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5]	N[5]	4:2:	4:3:4:2:	3:2:	C[5,5]-4:N[5]-2:	C[5]-4:C[5]-3:C[5]-4:O[5]-2:	C[5]-3:O[5]-2:	O[5](C[5,5]C[5]3)(N[5]C[5])	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)(O[5]N[5])	N[5](C[5]C[6a]C[5])(O[5]C[5,5])	O[5](C[5,5]C[5]3)(N[5]C[5]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)(O[5]N[5]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5,5]){1|C<4>,1|H<1>,4|C<3>}	109.2030	0.559	2	109.1857	0.157	3	109.1857	0.157	3	109.1857	0.157	3	109.2890	1.662	40	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5]	N[5]	4:2:	4:3:4:2:	3:2:	C[5,5]-4:N[5]-2:	C[5]-4:C[5]-3:C[5]-4:O[5]-2:	C[5]-3:O[5]-2:	O[5](C[5,5]C[5]3)(N[5]C[5])	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)(O[5]N[5])	N[5](C[5]C[6a]C[5])(O[5]C[5,5])	O[5](C[5,5]C[5]3)(N[5]C[5]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,5]O)(C[5]C[5]HH)(O[5]N[5]){2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5,5]){1|C<4>,1|H<1>,4|C<3>}	109.1510	0.000	1	109.1857	0.157	3	109.1857	0.157	3	109.1857	0.157	3	109.2890	1.662	40	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5]	N[5]	4:2:	4:4:2:1:	3:2:	C[5,5]-4:N[5]-2:	C[5,5,6]-4:C[5]-4:O[5]-2:H-1:	C[5,6]-3:O[5]-2:	O[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5,6])	C[5,5](C[5,5,6]C[5,6]2C)(C[5]C[5]HH)(O[5]N[5])(H)	N[5](C[5,6]C[5,5,6]C[6])(O[5]C[5,5])	O[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5,6]){2|H<1>,4|C<4>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5]C[5]HH)(O[5]N[5])(H){2|C<4>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6])(O[5]C[5,5]){3|H<1>,4|C<4>}	108.8760	0.000	1	108.8760	0.000	1	108.8760	0.000	1	108.9664	0.474	5	109.2890	1.662	40	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5]	N[5]	4:2:	4:4:2:1:	3:2:	C[5,5]-4:N[5]-2:	C[5,5]-4:C[5,5]-4:O[5]-2:H-1:	C[5]-3:O[5]-2:	O[5](C[5,5]C[5,5]2H)(N[5]C[5])	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(O[5]N[5])(H)	N[5](C[5]C[5,5]C[6a])(O[5]C[5,5])	O[5](C[5,5]C[5,5]2H)(N[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(O[5]N[5])(H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[5](C[5]C[5,5]C[6a])(O[5]C[5,5]){1|C<4>,2|H<1>,3|C<3>}	107.8740	0.000	1	107.8740	0.000	1	107.8740	0.000	1	108.9664	0.474	5	109.2890	1.662	40	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5]	N[5]	4:2:	4:4:2:1:	3:2:	C[5,5]-4:N[5]-2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-3:O[5]-2:	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(O[5]N[5])(H)	N[5](C[5]C[5,5]C[6a])(O[5]C[5,5])	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CO)(O[5]N[5])(H){1|C<3>,1|O<2>,3|H<1>}	N[5](C[5]C[5,5]C[6a])(O[5]C[5,5]){2|C<3>,2|C<4>,2|H<1>}	109.7510	0.000	1	109.7510	0.000	1	109.3607	0.114	3	108.9664	0.474	5	109.2890	1.662	40	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5]	N[5]	4:2:	4:4:2:1:	3:2:	C[5,5]-4:N[5]-2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-3:O[5]-2:	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]N[5])(H)	N[5](C[5]C[5,5]C)(O[5]C[5,5])	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HO)(O[5]N[5])(H){1|C<4>,1|O<1>,2|H<1>}	N[5](C[5]C[5,5]C)(O[5]C[5,5]){1|C<3>,1|C<4>,2|H<1>}	109.1700	0.000	1	109.1700	0.000	1	109.3607	0.114	3	108.9664	0.474	5	109.2890	1.662	40	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5]	N[5]	4:2:	4:4:2:1:	3:2:	C[5,5]-4:N[5]-2:	C[5,5]-4:C[5]-4:O[5]-2:H-1:	C[5]-3:O[5]-2:	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5])	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(O[5]N[5])(H)	N[5](C[5]C[5,5]C)(O[5]C[5,5])	O[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]HH)(O[5]N[5])(H){2|C<3>,2|H<1>}	N[5](C[5]C[5,5]C)(O[5]C[5,5]){2|C<4>,2|H<1>}	109.1610	0.000	1	109.1610	0.000	1	109.3607	0.114	3	108.9664	0.474	5	109.2890	1.662	40	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5]	N[5]	4:2:	4:4:2:2:	3:2:	C[5,5]-4:N[5]-2:	C[5,5,6]-4:C[5]-4:O[5]-2:O-2:	C[5,6]-3:O[5]-2:	O[5](C[5,5]C[5,5,6]C[5]O)(N[5]C[5,6])	C[5,5](C[5,5,6]C[5,6]2C)(C[5]C[5]CO)(O[5]N[5])(OH)	N[5](C[5,6]C[5,5,6]C[6])(O[5]C[5,5])	O[5](C[5,5]C[5,5,6]C[5]O)(N[5]C[5,6]){1|O<2>,5|C<4>}	C[5,5](C[5,5,6]C[5,6]2C)(C[5]C[5]CO)(O[5]N[5])(OH){2|C<4>,3|H<1>}	N[5](C[5,6]C[5,5,6]C[6])(O[5]C[5,5]){1|O<2>,2|H<1>,4|C<4>}	109.8200	0.161	2	109.8200	0.026	2	109.8200	0.026	2	109.8200	0.026	2	109.2890	1.662	40	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5]	N[5]	4:2:	4:4:2:4:	3:2:	C[5,5]-4:N[5]-2:	C[3x5]-4:C[5,5]-4:O[5]-2:C-4:	C[5,5]-3:O[5]-2:	O[5](C[5,5]C[3x5]C[5,5]C)(N[5]C[5,5])	C[5,5](C[3x5]C[5,5]C[5,6]C[5])(C[5,5]C[5,5]C[5]H)(O[5]N[5])(CH3)	N[5](C[5,5]C[3x5]C[5])(O[5]C[5,5])	O[5](C[5,5]C[3x5]C[5,5]C)(N[5]C[5,5]){1|H<1>,5|C<4>}	C[5,5](C[3x5]C[5,5]C[5,6]C[5])(C[5,5]C[5,5]C[5]H)(O[5]N[5])(CH3){1|O<2>,5|C<4>,5|H<1>}	N[5](C[5,5]C[3x5]C[5])(O[5]C[5,5]){2|H<1>,5|C<4>}	107.7010	0.461	2	107.7010	0.213	2	107.7010	0.213	2	107.8853	0.208	3	109.2890	1.662	40	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5]	N[5]	4:2:	4:4:2:4:	3:2:	C[5,5]-4:N[5]-2:	C[5,5]-4:C[5]-4:O[5]-2:C-4:	C[5]-3:O[5]-2:	O[5](C[5,5]C[5,5]C[5]C)(N[5]C[5])	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[5]HH)(O[5]N[5])(CH3)	N[5](C[5]C[5,5]C[6a])(O[5]C[5,5])	O[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]){1|C<3>,1|C<4>,1|P<4>,3|H<1>}	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[5]HH)(O[5]N[5])(CH3){1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]C[6a])(O[5]C[5,5]){1|H<1>,1|P<4>,2|C<3>,2|C<4>}	108.2540	0.000	1	108.2540	0.000	1	108.2540	0.000	1	107.8853	0.208	3	109.2890	1.662	40	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5]	N[5]	4:2:	4:4:3:2:	3:2:	C[5,5]-4:N[5]-2:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-3:O[5]-2:	O[5](C[5,5]C[5]3)(N[5]C[5])	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]N[5])	N[5](C[5]C[6a]C[5])(O[5]C[5,5])	O[5](C[5,5]C[5]3)(N[5]C[5]){1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5]C[5,6a]C[6a]H)(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)(O[5]N[5]){7|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5,5]){1|C<4>,1|H<1>,4|C<3>}	107.4190	0.000	1	107.4190	0.000	1	108.2983	0.761	3	108.2983	0.761	3	109.2890	1.662	40	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5]	N[5]	4:2:	4:4:3:2:	3:2:	C[5,5]-4:N[5]-2:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-3:O[5]-2:	O[5](C[5,5]C[5]3)(N[5]C[5])	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]O[5]O)(O[5]N[5])	N[5](C[5]C[6a]C[5])(O[5]C[5,5])	O[5](C[5,5]C[5]3)(N[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]HH)(C[5]O[5]O)(O[5]N[5]){1|C<3>,1|C<4>,1|H<1>}	N[5](C[5]C[6a]C[5])(O[5]C[5,5]){1|C<4>,2|H<1>,3|C<3>}	109.1630	0.000	1	109.1630	0.000	1	108.2983	0.761	3	108.2983	0.761	3	109.2890	1.662	40	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,5]	N[5]	4:2:	4:4:3:2:	3:2:	C[5,5]-4:N[5]-2:	C[5]-4:C[5]-4:C[5]-3:O[5]-2:	C[5]-3:O[5]-2:	O[5](C[5,5]C[5]3)(N[5]C[5])	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(O[5]N[5])	N[5](C[5]C[6a]C[5])(O[5]C[5,5])	O[5](C[5,5]C[5]3)(N[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(O[5]N[5]){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5,5]){1|C<4>,1|H<1>,4|C<3>}	108.3130	0.000	1	108.3130	0.000	1	108.2983	0.761	3	108.2983	0.761	3	109.2890	1.662	40	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,6,6]	N[5]	4:2:	4:4:2:1:	3:2:	C[5,6,6]-4:N[5]-2:	C[5,6,6]-4:C[3x6]-4:O[5]-2:H-1:	C[5]-3:O[5]-2:	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5])	C[5,6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2O)(O[5]N[5])(H)	N[5](C[5]C[5,6,6]Br)(O[5]C[5,6,6])	O[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]){1|Br<1>,1|H<1>,1|O<2>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2O)(O[5]N[5])(H){1|Br<1>,1|C<3>,1|C<4>,2|N<3>,3|H<1>}	N[5](C[5]C[5,6,6]Br)(O[5]C[5,6,6]){2|C<4>,2|H<1>}	110.0580	0.000	1	110.0580	0.000	1	110.0580	0.000	1	110.0580	0.000	1	110.0580	0.000	1	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,6]	N[5]	4:2:	3:4:3:2:	3:2:	C[5,6]-4:N[5]-2:	N[5]-3:C[6]-4:C[6]-3:O[5]-2:	C[5]-3:O[5]-2:	O[5](C[5,6]C[6]2N[5])(N[5]C[5])	C[5,6](N[5]C[6a]C[5])(C[6]C[6]CH)(C[6]C[6]C)(O[5]N[5])	N[5](C[5]C[6]N[5])(O[5]C[5,6])	O[5](C[5,6]C[6]2N[5])(N[5]C[5]){1|H<1>,3|C<3>,3|C<4>}	C[5,6](N[5]C[6a]C[5])(C[6]C[6]CH)(C[6]C[6]C)(O[5]N[5]){1|N<3>,3|C<3>,4|H<1>}	N[5](C[5]C[6]N[5])(O[5]C[5,6]){1|C<4>,4|C<3>}	105.2220	0.000	1	105.2220	0.000	1	105.4260	0.083	2	105.4260	0.083	2	108.4058	1.827	48	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,6]	N[5]	4:2:	3:4:3:2:	3:2:	C[5,6]-4:N[5]-2:	N[5]-3:C[6]-4:C[6]-3:O[5]-2:	C[5]-3:O[5]-2:	O[5](C[5,6]C[6]2N[5])(N[5]C[5])	C[5,6](N[5]C[6a]C[5])(C[6]C[6]CH)(C[6]C[6]C)(O[5]N[5])	N[5](C[5]C[6a]N[5])(O[5]C[5,6])	O[5](C[5,6]C[6]2N[5])(N[5]C[5]){1|H<1>,3|C<3>,3|C<4>}	C[5,6](N[5]C[6a]C[5])(C[6]C[6]CH)(C[6]C[6]C)(O[5]N[5]){1|N<3>,3|C<3>,4|H<1>}	N[5](C[5]C[6a]N[5])(O[5]C[5,6]){1|C<4>,4|C<3>}	105.6300	0.000	1	105.6300	0.000	1	105.4260	0.083	2	105.4260	0.083	2	108.4058	1.827	48	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,6]	N[5]	4:2:	3:4:4:2:	3:2:	C[5,6]-4:N[5]-2:	N[5,5]-3:C[6]-4:C[6]-4:O[5]-2:	C[5,5]-3:O[5]-2:	O[5](C[5,6]N[5,5]C[6]2)(N[5]C[5,5])	C[5,6](N[5,5]C[5,5]C[5])(C[6]C[6]HH)2(O[5]N[5])	N[5](C[5,5]N[5,5]N[5])(O[5]C[5,6])	O[5](C[5,6]N[5,5]C[6]2)(N[5]C[5,5]){1|N<3>,3|C<4>,4|H<1>}	C[5,6](N[5,5]C[5,5]C[5])(C[6]C[6]HH)2(O[5]N[5]){1|N<3>,2|C<4>,6|H<1>}	N[5](C[5,5]N[5,5]N[5])(O[5]C[5,6]){1|H<1>,4|C<4>}	107.6170	0.000	2	107.6170	0.000	2	107.6170	0.000	2	107.6170	0.000	2	108.4058	1.827	48	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,6]	N[5]	4:2:	4:3:2:1:	3:2:	C[5,6]-4:N[5]-2:	C[5,5,6]-4:C[6]-3:O[5]-2:H-1:	C[5,5]-3:O[5]-2:	O[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5,5])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(O[5]N[5])(H)	N[5](C[5,5]C[5,5,6]C[5])(O[5]C[5,6])	O[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5,5]){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(O[5]N[5])(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5](C[5,5]C[5,5,6]C[5])(O[5]C[5,6]){1|C<3>,2|C<4>,4|H<1>}	107.5820	0.000	1	107.5820	0.000	1	107.5820	0.000	1	107.9473	1.388	12	108.4058	1.827	48	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,6]	N[5]	4:2:	4:3:2:1:	3:2:	C[5,6]-4:N[5]-2:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-3:O[5]-2:	O[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6])	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(O[5]N[5])(H)	N[5](C[5,6]C[5,6,6]C[6])(O[5]C[5,6])	O[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]){1|C<3>,1|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(O[5]N[5])(H){1|O<2>,3|C<4>,4|H<1>}	N[5](C[5,6]C[5,6,6]C[6])(O[5]C[5,6]){1|C<3>,3|C<4>,3|H<1>}	108.7580	0.000	1	108.7580	0.000	1	108.8680	0.024	2	107.9473	1.388	12	108.4058	1.827	48	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,6]	N[5]	4:2:	4:3:2:1:	3:2:	C[5,6]-4:N[5]-2:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6]-3:O[5]-2:	O[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]N[5])(H)	N[5](C[5,6]C[5,6,6]C[6])(O[5]C[5,6])	O[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(O[5]N[5])(H){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5,6]C[5,6,6]C[6])(O[5]C[5,6]){2|C<4>,2|H<1>,3|C<3>}	108.9780	0.000	1	108.9780	0.000	1	108.8680	0.024	2	107.9473	1.388	12	108.4058	1.827	48	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,6]	N[5]	4:2:	4:3:2:1:	3:2:	C[5,6]-4:N[5]-2:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5]-3:O[5]-2:	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]N[5])(H)	N[5](C[5]C[5,6]C)(O[5]C[5,6])	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]){1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]N[5])(H){3|C<4>,3|H<1>}	N[5](C[5]C[5,6]C)(O[5]C[5,6]){1|C<3>,1|C<4>,2|H<1>}	107.3770	0.000	1	107.3770	0.000	1	108.3640	1.948	2	107.9473	1.388	12	108.4058	1.827	48	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,6]	N[5]	4:2:	4:3:2:1:	3:2:	C[5,6]-4:N[5]-2:	C[5,6]-4:C[6]-3:O[5]-2:H-1:	C[5]-3:O[5]-2:	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]N[5])(H)	N[5](C[5]C[5,6]C[6a])(O[5]C[5,6])	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]N[5])(H){1|H<1>,2|C<3>,2|O<2>}	N[5](C[5]C[5,6]C[6a])(O[5]C[5,6]){1|C<4>,2|H<1>,3|C<3>}	109.3510	0.000	1	109.3510	0.000	1	108.3640	1.948	2	107.9473	1.388	12	108.4058	1.827	48	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,6]	N[5]	4:2:	4:3:2:1:	3:2:	C[5,6]-4:N[5]-2:	C[5,6]-4:N[5,6]-3:O[5]-2:H-1:	C[5]-3:O[5]-2:	O[5](C[5,6]C[5,6]N[5,6]H)(N[5]C[5])	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H)	N[5](C[5]C[5,6]C[6a])(O[5]C[5,6])	O[5](C[5,6]C[5,6]N[5,6]H)(N[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6]C[6a])(O[5]C[5,6]){1|N<3>,2|H<1>,3|C<3>}	107.2665	1.019	6	107.6174	1.727	7	107.6174	1.727	7	107.9473	1.388	12	108.4058	1.827	48	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,6]	N[5]	4:2:	4:3:2:1:	3:2:	C[5,6]-4:N[5]-2:	C[5,6]-4:N[5,6]-3:O[5]-2:H-1:	C[5]-3:O[5]-2:	O[5](C[5,6]C[5,6]N[5,6]H)(N[5]C[5])	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H)	N[5](C[5]C[5,6]C[6a])(O[5]C[5,6])	O[5](C[5,6]C[5,6]N[5,6]H)(N[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H){2|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6]C[6a])(O[5]C[5,6]){1|N<3>,2|H<1>,3|C<3>}	109.7230	0.000	1	107.6174	1.727	7	107.6174	1.727	7	107.9473	1.388	12	108.4058	1.827	48	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,6]	N[5]	4:2:	4:3:2:2:	3:2:	C[5,6]-4:N[5]-2:	C[5]-4:C[6]-3:N[6]-2:O[5]-2:	C[5]-3:O[5]-2:	O[5](C[5,6]C[5]C[6]N[6])(N[5]C[5])	C[5,6](C[5]C[5]HH)(C[6]N[6]O)(N[6]C[6])(O[5]N[5])	N[5](C[5]C[6a]C[5])(O[5]C[5,6])	O[5](C[5,6]C[5]C[6]N[6])(N[5]C[5]){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5]C[5]HH)(C[6]N[6]O)(N[6]C[6])(O[5]N[5]){1|C<3>,1|C<4>,1|O<2>}	N[5](C[5]C[6a]C[5])(O[5]C[5,6]){1|N<2>,2|H<1>,3|C<3>}	109.3660	0.000	1	109.3660	0.000	1	109.3660	0.000	1	108.5570	1.309	2	108.4058	1.827	48	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,6]	N[5]	4:2:	4:3:2:2:	3:2:	C[5,6]-4:N[5]-2:	C[5]-4:C[6]-3:O[5]-2:S[6]-2:	C[5]-3:O[5]-2:	O[5](C[5,6]C[5]C[6]S[6])(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6])	N[5](C[5]C[6a]C[5])(O[5]C[5,6])	O[5](C[5,6]C[5]C[6]S[6])(N[5]C[5]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(O[5]N[5])(S[6]C[6]){2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5,6]){1|H<1>,1|S<2>,4|C<3>}	107.7480	0.000	1	107.7480	0.000	1	107.7480	0.000	1	108.5570	1.309	2	108.4058	1.827	48	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,6]	N[5]	4:2:	4:3:3:2:	3:2:	C[5,6]-4:N[5]-2:	C[5]-4:N[6]-3:C[6]-3:O[5]-2:	C[5]-3:O[5]-2:	O[5](C[5,6]C[5]C[6]N[6])(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(N[6]C[6a]C[6])(C[6]C[6,6a]O)(O[5]N[5])	N[5](C[5]C[6a]C[5])(O[5]C[5,6])	O[5](C[5,6]C[5]C[6]N[6])(N[5]C[5]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5]H)(N[6]C[6a]C[6])(C[6]C[6,6a]O)(O[5]N[5]){2|H<1>,7|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5,6]){1|H<1>,1|N<3>,4|C<3>}	110.3400	0.000	1	110.3400	0.000	1	110.3400	0.000	1	110.3400	0.000	1	108.4058	1.827	48	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,6]	N[5]	4:2:	4:3:4:2:	3:2:	C[5,6]-4:N[5]-2:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5]-3:O[5]-2:	O[5](C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]C[6]HH)(O[5]N[5])	N[5](C[5]C[6a]C[5])(O[5]C[5,6])	O[5](C[5,6]C[5]C[6]2)(N[5]C[5]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]C[6]HH)(O[5]N[5]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5,6]){1|C<4>,1|H<1>,4|C<3>}	109.0575	0.967	2	109.0575	0.934	2	108.8127	1.505	13	108.8127	1.505	13	108.4058	1.827	48	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,6]	N[5]	4:2:	4:3:4:2:	3:2:	C[5,6]-4:N[5]-2:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5]-3:O[5]-2:	O[5](C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH)(O[5]N[5])	N[5](C[5]C[6a]C[5])(O[5]C[5,6])	O[5](C[5,6]C[5]C[6]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5,6]O)(C[6]N[6]HH)(O[5]N[5]){3|C<3>,4|C<4>}	N[5](C[5]C[6a]C[5])(O[5]C[5,6]){1|C<4>,1|H<1>,4|C<3>}	109.9440	0.780	3	109.9440	0.609	3	108.8127	1.505	13	108.8127	1.505	13	108.4058	1.827	48	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,6]	N[5]	4:2:	4:3:4:2:	3:2:	C[5,6]-4:N[5]-2:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5]-3:O[5]-2:	O[5](C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5])	N[5](C[5]C[6a]C[5])(O[5]C[5,6])	O[5](C[5,6]C[5]C[6]2)(N[5]C[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5]){1|C<4>,1|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5,6]){1|C<4>,1|H<1>,4|C<3>}	108.8170	0.129	2	108.9108	0.377	6	108.8127	1.505	13	108.8127	1.505	13	108.4058	1.827	48	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,6]	N[5]	4:2:	4:3:4:2:	3:2:	C[5,6]-4:N[5]-2:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5]-3:O[5]-2:	O[5](C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5])	N[5](C[5]C[6a]C[5])(O[5]C[5,6])	O[5](C[5,6]C[5]C[6]2)(N[5]C[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5]){2|C<4>,5|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5,6]){1|C<4>,1|H<1>,4|C<3>}	109.9420	0.000	1	108.9108	0.377	6	108.8127	1.505	13	108.8127	1.505	13	108.4058	1.827	48	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,6]	N[5]	4:2:	4:3:4:2:	3:2:	C[5,6]-4:N[5]-2:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5]-3:O[5]-2:	O[5](C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5])	N[5](C[5]C[6a]C[5])(O[5]C[5,6])	O[5](C[5,6]C[5]C[6]2)(N[5]C[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]C[6]HH)(O[5]N[5]){2|H<1>,5|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5,6]){1|C<4>,1|H<1>,4|C<3>}	108.6297	0.525	3	108.9108	0.377	6	108.8127	1.505	13	108.8127	1.505	13	108.4058	1.827	48	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,6]	N[5]	4:2:	4:3:4:2:	3:2:	C[5,6]-4:N[5]-2:	C[5]-4:C[6]-3:C[6]-4:O[5]-2:	C[5]-3:O[5]-2:	O[5](C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]CH)(O[5]N[5])	N[5](C[5]C[6a]C[5])(O[5]C[5,6])	O[5](C[5,6]C[5]C[6]2)(N[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6,6a]O)(C[6]O[6]CH)(O[5]N[5]){5|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5,6]){1|C<4>,1|H<1>,4|C<3>}	106.5765	0.071	2	106.5765	0.005	2	108.8127	1.505	13	108.8127	1.505	13	108.4058	1.827	48	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,6]	N[5]	4:2:	4:4:2:1:	3:2:	C[5,6]-4:N[5]-2:	C[5,5,6]-4:C[6]-4:O[5]-2:H-1:	C[5,5]-3:O[5]-2:	O[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5,5])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HO)(O[5]N[5])(H)	N[5](C[5,5]C[5,5,6]C[5])(O[5]C[5,6])	O[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5,5]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HO)(O[5]N[5])(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5](C[5,5]C[5,5,6]C[5])(O[5]C[5,6]){1|O<2>,3|C<4>,3|H<1>}	110.1710	0.000	1	110.1710	0.000	1	110.1710	0.000	1	107.9782	2.097	5	108.4058	1.827	48	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,6]	N[5]	4:2:	4:4:2:1:	3:2:	C[5,6]-4:N[5]-2:	C[5,6,6]-4:C[6]-4:O[5]-2:H-1:	C[5,6]-3:O[5]-2:	O[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6])	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]N[5])(H)	N[5](C[5,6]C[5,6,6]C[6,6a])(O[5]C[5,6])	O[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(O[5]N[5])(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N[5](C[5,6]C[5,6,6]C[6,6a])(O[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	106.8130	0.000	1	106.8130	0.000	1	106.8130	0.000	1	107.9782	2.097	5	108.4058	1.827	48	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,6]	N[5]	4:2:	4:4:2:1:	3:2:	C[5,6]-4:N[5]-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-3:O[5]-2:	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5])	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(O[5]N[5])(H)	N[5](C[5]C[5,6]Br)(O[5]C[5,6])	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]){1|Br<1>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(O[5]N[5])(H){1|Br<1>,1|N<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6]Br)(O[5]C[5,6]){2|C<4>,2|H<1>}	107.4510	0.000	1	107.4510	0.000	1	107.6357	0.936	3	107.9782	2.097	5	108.4058	1.827	48	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,6]	N[5]	4:2:	4:4:2:1:	3:2:	C[5,6]-4:N[5]-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-3:O[5]-2:	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]OO)(O[5]N[5])(H)	N[5](C[5]C[5,6]C[6a])(O[5]C[5,6])	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]){1|H<1>,2|O<2>,3|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]OO)(O[5]N[5])(H){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6]C[6a])(O[5]C[5,6]){1|C<4>,2|H<1>,3|C<3>}	106.7740	0.000	1	106.7740	0.000	1	107.6357	0.936	3	107.9782	2.097	5	108.4058	1.827	48	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,6]	N[5]	4:2:	4:4:2:1:	3:2:	C[5,6]-4:N[5]-2:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	C[5]-3:O[5]-2:	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(O[5]N[5])(H)	N[5](C[5]C[5,6]C)(O[5]C[5,6])	O[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HO)(O[5]N[5])(H){1|O<1>,2|C<4>}	N[5](C[5]C[5,6]C)(O[5]C[5,6]){1|C<3>,1|C<4>,2|H<1>}	108.6820	0.000	1	108.6820	0.000	1	107.6357	0.936	3	107.9782	2.097	5	108.4058	1.827	48	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,6]	N[5]	4:2:	4:4:2:2:	3:2:	C[5,6]-4:N[5]-2:	C[5,6]-4:C[6]-4:O[5]-2:O-2:	C[5]-3:O[5]-2:	O[5](C[5,6]C[5,6]C[6]O)(N[5]C[5])	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]N[5])(OH)	N[5](C[5]C[5,6]C)(O[5]C[5,6])	O[5](C[5,6]C[5,6]C[6]O)(N[5]C[5]){2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]N[5])(OH){1|C<4>,1|S<2>,4|H<1>}	N[5](C[5]C[5,6]C)(O[5]C[5,6]){1|O<2>,3|C<4>}	110.4530	0.000	1	110.4530	0.000	1	110.4530	0.000	1	110.4530	0.000	1	108.4058	1.827	48	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,6]	N[5]	4:2:	4:4:2:4:	3:2:	C[5,6]-4:N[5]-2:	C[5,5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,5]-3:O[5]-2:	O[5](C[5,6]C[5,5,6]C[6]C)(N[5]C[5,5])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]N[5])(CH3)	N[5](C[5,5]C[5,5,6]C[5])(O[5]C[5,6])	O[5](C[5,6]C[5,5,6]C[6]C)(N[5]C[5,5]){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(O[5]N[5])(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N[5](C[5,5]C[5,5,6]C[5])(O[5]C[5,6]){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	108.5610	0.000	1	108.5610	0.000	1	108.5610	0.000	1	108.5610	0.000	1	108.4058	1.827	48	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,6]	N[5]	4:2:	4:4:3:2:	2:3:	C[5,6]-4:N[5]-2:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	O[5]-2:C[5]-3:	O[5](C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]H)(O[5]N[5])	N[5](O[5]C[5,6])(C[5]C[5]C)	O[5](C[5,6]C[5]C[6]2)(N[5]C[5]){1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]H)(O[5]N[5]){2|Br<1>,2|C<3>}	N[5](O[5]C[5,6])(C[5]C[5]C){1|C<3>,1|C<4>,2|H<1>}	109.5173	0.522	3	109.5173	0.273	3	109.5173	0.273	3	109.6623	0.266	4	108.4058	1.827	48	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,6]	N[5]	4:2:	4:4:3:2:	2:3:	C[5,6]-4:N[5]-2:	C[6]-4:C[6]-4:C[5]-3:O[5]-2:	O[5]-2:C[5]-3:	O[5](C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[6]C[6]HH)2(C[5]C[5]N)(O[5]N[5])	N[5](O[5]C[5,6])(C[5]C[5]C)	O[5](C[5,6]C[5]C[6]2)(N[5]C[5]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[6]C[6]HH)2(C[5]C[5]N)(O[5]N[5]){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5](O[5]C[5,6])(C[5]C[5]C){1|N<3>,2|C<4>}	110.0970	0.000	1	110.0970	0.000	1	110.0970	0.000	1	109.6623	0.266	4	108.4058	1.827	48	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,6]	N[5]	4:2:	4:4:3:2:	3:2:	C[5,6]-4:N[5]-2:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[5]-3:O[5]-2:	O[5](C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(O[5]N[5])	N[5](C[5]C[6a]C[5])(O[5]C[5,6])	O[5](C[5,6]C[5]C[6]2)(N[5]C[5]){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(O[5]N[5]){7|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5,6]){1|C<4>,1|H<1>,4|C<3>}	108.3007	0.615	3	108.3007	0.379	3	108.1695	0.321	4	108.1695	0.321	4	108.4058	1.827	48	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,6]	N[5]	4:2:	4:4:3:2:	3:2:	C[5,6]-4:N[5]-2:	C[5]-4:C[6]-4:C[6]-3:O[5]-2:	C[5]-3:O[5]-2:	O[5](C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)(O[5]N[5])	N[5](C[5]C[6a]C[5])(O[5]C[5,6])	O[5](C[5,6]C[5]C[6]2)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]N[6]HH)(C[6]C[6]O)(O[5]N[5]){2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5,6]){1|C<4>,1|H<1>,4|C<3>}	107.7760	0.000	1	107.7760	0.000	1	108.1695	0.321	4	108.1695	0.321	4	108.4058	1.827	48	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5,6]	N[5]	4:2:	4:4:4:2:	3:2:	C[5,6]-4:N[5]-2:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5]-3:O[5]-2:	O[5](C[5,6]C[5]C[6]2)(N[5]C[5])	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]N[5])	N[5](C[5]C[6a]C[5])(O[5]C[5,6])	O[5](C[5,6]C[5]C[6]2)(N[5]C[5]){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]N[5]){1|N<3>,2|C<3>,3|H<1>}	N[5](C[5]C[6a]C[5])(O[5]C[5,6]){2|C<3>,2|C<4>,2|H<1>}	109.7730	0.000	1	109.7730	0.000	1	109.7730	0.000	1	109.7730	0.000	1	108.4058	1.827	48	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	3:2:1:1:	3:2:	C[5]-4:N[5]-2:	C[5]-3:O[5]-2:H-1:H-1:	C[5]-3:O[5]-2:	O[5](C[5]C[5]HH)(N[5]C[5])	C[5](C[5]C[5]C)(O[5]N[5])(H)2	N[5](C[5]C[5]C)(O[5]C[5])	O[5](C[5]C[5]HH)(N[5]C[5]){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(O[5]N[5])(H)2{1|C<4>}	N[5](C[5]C[5]C)(O[5]C[5]){1|C<3>,2|H<1>}	109.1770	0.000	1	109.1770	0.000	1	109.1770	0.000	1	109.1770	0.000	1	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	3:2:4:2:	3:2:	C[5]-4:N[5]-2:	C[5,6]-3:O[5]-2:C-4:O-2:	C[5,6]-3:O[5]-2:	O[5](C[5]C[5,6]CO)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6])(O[5]N[5])(CF3)(OH)	N[5](C[5,6]C[5,6]C[6])(O[5]C[5])	O[5](C[5]C[5,6]CO)(N[5]C[5,6]){2|C<3>}	C[5](C[5,6]C[5,6]C[6])(O[5]N[5])(CF3)(OH){1|H<1>,2|C<3>}	N[5](C[5,6]C[5,6]C[6])(O[5]C[5]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	110.4880	0.000	1	110.4880	0.000	1	110.4880	0.000	1	110.4880	0.000	1	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	3:2:4:4:	3:2:	C[5]-4:N[5]-2:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-3:O[5]-2:	O[5](C[5]N[5]CC)(N[5]C[5])	C[5](N[5]C[6a]C[5])(O[5]N[5])(CCHH)(CH3)	N[5](C[5]C[6a]N[5])(O[5]C[5])	O[5](C[5]N[5]CC)(N[5]C[5]){2|C<3>}	C[5](N[5]C[6a]C[5])(O[5]N[5])(CCHH)(CH3){3|C<3>}	N[5](C[5]C[6a]N[5])(O[5]C[5]){2|C<4>,3|C<3>}	108.6560	0.000	1	108.6560	0.000	1	107.7603	4.972	3	107.7603	4.972	3	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	3:2:4:4:	3:2:	C[5]-4:N[5]-2:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-3:O[5]-2:	O[5](C[5]N[5]CC)(N[5]C[5])	C[5](N[5]C[6a]C[5])(O[5]N[5])(CC[5]HH)(CH3)	N[5](C[5]C[6a]N[5])(O[5]C[5])	O[5](C[5]N[5]CC)(N[5]C[5]){2|C<3>}	C[5](N[5]C[6a]C[5])(O[5]N[5])(CC[5]HH)(CH3){3|C<3>}	N[5](C[5]C[6a]N[5])(O[5]C[5]){2|C<4>,3|C<3>}	107.3125	2.956	2	107.3125	8.740	2	107.7603	4.972	3	107.7603	4.972	3	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	3:3:2:1:	3:2:	C[5]-4:N[5]-2:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-3:O[5]-2:	O[5](C[5]C[6a]N[5]H)(N[5]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]N[5])(H)	N[5](C[5]C[6a]N[5])(O[5]C[5])	O[5](C[5]C[6a]N[5]H)(N[5]C[5]){1|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]N[5])(H){2|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5])(O[5]C[5]){1|C<4>,1|H<1>,3|C<3>}	109.6920	0.000	1	109.6920	0.000	1	109.6920	0.000	1	109.6920	0.000	1	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	3:3:2:4:	3:2:	C[5]-4:N[5]-2:	N[5]-3:C[6a]-3:O[5]-2:C-4:	C[5]-3:O[5]-2:	O[5](C[5]C[6a]N[5]C)(N[5]C[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]N[5])(CCHH)	N[5](C[5]C[6a]N[5])(O[5]C[5])	O[5](C[5]C[6a]N[5]C)(N[5]C[5]){4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]N[5])(CCHH){2|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5])(O[5]C[5]){1|C<4>,4|C<3>}	107.7745	2.384	2	107.7745	5.682	2	107.7745	5.682	2	107.7745	5.682	2	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	3:3:3:2:	3:2:	C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:O[5]-2:	O[5](C[5]C[6a]2N[5])(N[5]C[5])	C[5](C[6a]C[6a]2)2(N[5]C[5]H)(O[5]N[5])	N[5](C[5]C[6a]N[5])(O[5]C[5])	O[5](C[5]C[6a]2N[5])(N[5]C[5]){1|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)2(N[5]C[5]H)(O[5]N[5]){4|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5])(O[5]C[5]){1|H<1>,4|C<3>}	109.1845	0.186	2	109.1845	0.035	2	108.3823	1.948	3	108.3823	1.948	3	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	3:3:3:2:	3:2:	C[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:O[5]-2:	O[5](C[5]C[6a]2N[5])(N[5]C[5])	C[5](C[6a]C[6a]2)2(N[5]C[5]N)(O[5]N[5])	N[5](C[5]C[6a]N[5])(O[5]C[5])	O[5](C[5]C[6a]2N[5])(N[5]C[5]){1|N<3>,5|C<3>}	C[5](C[6a]C[6a]2)2(N[5]C[5]N)(O[5]N[5]){1|C<4>,3|H<1>,5|C<3>}	N[5](C[5]C[6a]N[5])(O[5]C[5]){1|N<3>,4|C<3>}	106.7780	0.000	1	106.7780	0.000	1	108.3823	1.948	3	108.3823	1.948	3	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	3:4:2:1:	3:2:	C[5]-4:N[5]-2:	C[5a]-3:C[5]-4:O[5]-2:H-1:	C[5]-3:O[5]-2:	O[5](C[5]C[5a]C[5]H)(N[5]C[5])	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]N[5])(H)	N[5](C[5]C[6a]C[5])(O[5]C[5])	O[5](C[5]C[5a]C[5]H)(N[5]C[5]){2|H<1>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(O[5]N[5])(H){1|H<1>,1|N<3>,3|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){3|C<3>,3|H<1>}	108.4570	0.000	1	108.4570	0.000	1	108.4570	0.000	1	108.4624	0.863	8	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	3:4:2:1:	3:2:	C[5]-4:N[5]-2:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-3:O[5]-2:	O[5](C[5]C[6a]C[5]H)(N[5]C[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]N[5])(H)	N[5](C[5]C[5]C)(O[5]C[5])	O[5](C[5]C[6a]C[5]H)(N[5]C[5]){2|H<1>,3|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]N[5])(H){1|H<1>,4|C<3>}	N[5](C[5]C[5]C)(O[5]C[5]){1|C<3>,3|H<1>}	109.3360	0.000	1	109.3360	0.000	1	108.4631	1.007	7	108.4624	0.863	8	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	3:4:2:1:	3:2:	C[5]-4:N[5]-2:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-3:O[5]-2:	O[5](C[5]C[6a]C[5]H)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	N[5](C[5]C[5]C)(O[5]C[5])	O[5](C[5]C[6a]C[5]H)(N[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5]C)(O[5]C[5]){1|C<3>,3|H<1>}	106.9190	0.000	1	106.9190	0.000	1	108.4631	1.007	7	108.4624	0.863	8	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	3:4:2:1:	3:2:	C[5]-4:N[5]-2:	C[6a]-3:C[5]-4:O[5]-2:H-1:	C[5]-3:O[5]-2:	O[5](C[5]C[6a]C[5]H)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H)	N[5](C[5]C[6a]C[5])(O[5]C[5])	O[5](C[5]C[6a]C[5]H)(N[5]C[5]){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(H){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){3|C<3>,3|H<1>}	108.5974	0.838	5	108.5974	0.702	5	108.4631	1.007	7	108.4624	0.863	8	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	3:4:2:2:	3:2:	C[5]-4:N[5]-2:	C[5a]-3:C[5]-4:O[5]-2:O-2:	C[5]-3:O[5]-2:	O[5](C[5]C[5a]C[5]O)(N[5]C[5])	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(O[5]N[5])(OH)	N[5](C[5]C[6a]C[5])(O[5]C[5])	O[5](C[5]C[5a]C[5]O)(N[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(O[5]N[5])(OH){1|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|O<2>,2|H<1>,3|C<3>}	108.6740	0.000	1	108.6740	0.000	1	108.6740	0.000	1	107.9425	1.070	2	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	3:4:2:2:	3:2:	C[5]-4:N[5]-2:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-3:O[5]-2:	O[5](C[5]C[6a]C[5]O)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]N[5])(OH)	N[5](C[5]C[6a]C[5])(O[5]C[5])	O[5](C[5]C[6a]C[5]O)(N[5]C[5]){2|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(O[5]N[5])(OH){2|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|O<2>,2|C<4>,3|C<3>}	107.2110	0.000	1	107.2110	0.000	1	107.2110	0.000	1	107.9425	1.070	2	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	3:4:2:4:	3:2:	C[5]-4:N[5]-2:	C[6a]-3:C[5]-4:O[5]-2:C-4:	C[5]-3:O[5]-2:	O[5](C[5]C[6a]C[5]C)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(CH3)	N[5](C[5]C[5]C)(O[5]C[5])	O[5](C[5]C[6a]C[5]C)(N[5]C[5]){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]N[5])(CH3){2|H<1>,3|C<3>}	N[5](C[5]C[5]C)(O[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	109.1730	0.000	1	109.1730	0.000	1	109.1730	0.000	1	109.1730	0.000	1	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:2:1:1:	3:2:	C[5]-4:N[5]-2:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-3:O[5]-2:	O[5](C[5]C[5,5]HH)(N[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2	N[5](C[5,5]C[5,5]2)(O[5]C[5])	O[5](C[5]C[5,5]HH)(N[5]C[5,5]){1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2{1|H<1>,1|O<2>,2|C<4>}	N[5](C[5,5]C[5,5]2)(O[5]C[5]){1|O<2>,2|C<4>,4|H<1>}	108.1470	0.000	1	108.1470	0.000	1	107.0153	0.961	3	108.1012	1.110	13	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:2:1:1:	3:2:	C[5]-4:N[5]-2:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-3:O[5]-2:	O[5](C[5]C[5,5]HH)(N[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2	N[5](C[5,5]C[5,5]C[5,6])(O[5]C[5])	O[5](C[5]C[5,5]HH)(N[5]C[5,5]){1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2{1|C<4>,1|N<3>,2|H<1>}	N[5](C[5,5]C[5,5]C[5,6])(O[5]C[5]){1|N<3>,2|C<4>,4|H<1>}	106.4610	0.000	1	106.4610	0.000	1	107.0153	0.961	3	108.1012	1.110	13	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:2:1:1:	3:2:	C[5]-4:N[5]-2:	C[5,5]-4:O[5]-2:H-1:H-1:	C[5,5]-3:O[5]-2:	O[5](C[5]C[5,5]HH)(N[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2	N[5](C[5,5]C[5,5]C[5])(O[5]C[5])	O[5](C[5]C[5,5]HH)(N[5]C[5,5]){1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(H)2{2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]C[5])(O[5]C[5]){1|C<3>,2|C<4>,4|H<1>}	106.4380	0.000	1	106.4380	0.000	1	107.0153	0.961	3	108.1012	1.110	13	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:2:1:1:	3:2:	C[5]-4:N[5]-2:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-3:O[5]-2:	O[5](C[5]C[5,6]HH)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]N[5])(H)2	N[5](C[5,6]C[5,6]C[6])(O[5]C[5])	O[5](C[5]C[5,6]HH)(N[5]C[5,6]){3|C<4>}	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]N[5])(H)2{1|H<1>,3|C<4>}	N[5](C[5,6]C[5,6]C[6])(O[5]C[5]){3|C<4>,4|H<1>}	107.2670	0.000	1	107.2670	0.000	1	108.2196	0.664	8	108.1012	1.110	13	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:2:1:1:	3:2:	C[5]-4:N[5]-2:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-3:O[5]-2:	O[5](C[5]C[5,6]HH)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]C)(O[5]N[5])(H)2	N[5](C[5,6]C[5,6]2)(O[5]C[5])	O[5](C[5]C[5,6]HH)(N[5]C[5,6]){3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]N[5])(H)2{2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]2)(O[5]C[5]){1|N<3>,3|C<4>,3|H<1>}	107.7030	0.000	1	107.7030	0.000	1	108.2196	0.664	8	108.1012	1.110	13	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:2:1:1:	3:2:	C[5]-4:N[5]-2:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-3:O[5]-2:	O[5](C[5]C[5,6]HH)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]C)(O[5]N[5])(H)2	N[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])	O[5](C[5]C[5,6]HH)(N[5]C[5,6]){3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]N[5])(H)2{2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6,6])(O[5]C[5]){1|N<3>,3|C<4>,3|H<1>}	106.9530	0.000	1	106.9530	0.000	1	108.2196	0.664	8	108.1012	1.110	13	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:2:1:1:	3:2:	C[5]-4:N[5]-2:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-3:O[5]-2:	O[5](C[5]C[5,6]HH)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	N[5](C[5,6]C[5,6]2)(O[5]C[5])	O[5](C[5]C[5,6]HH)(N[5]C[5,6]){1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|C<4>,1|S<4>,2|H<1>}	N[5](C[5,6]C[5,6]2)(O[5]C[5]){1|O<2>,2|C<4>,4|H<1>}	108.7285	0.156	2	108.8530	0.075	4	108.2196	0.664	8	108.1012	1.110	13	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:2:1:1:	3:2:	C[5]-4:N[5]-2:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-3:O[5]-2:	O[5](C[5]C[5,6]HH)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	N[5](C[5,6]C[5,6]2)(O[5]C[5])	O[5](C[5]C[5,6]HH)(N[5]C[5,6]){1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]2)(O[5]C[5]){1|O<2>,2|C<4>,4|H<1>}	108.9775	0.373	2	108.8530	0.075	4	108.2196	0.664	8	108.1012	1.110	13	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:2:1:1:	3:2:	C[5]-4:N[5]-2:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-3:O[5]-2:	O[5](C[5]C[5,6]HH)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	N[5](C[5,6]C[5,6]C[6,6])(O[5]C[5])	O[5](C[5]C[5,6]HH)(N[5]C[5,6]){1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{2|C<4>,2|H<1>}	N[5](C[5,6]C[5,6]C[6,6])(O[5]C[5]){1|O<2>,2|C<4>,4|H<1>}	108.4220	0.000	1	108.4220	0.000	1	108.2196	0.664	8	108.1012	1.110	13	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:2:1:1:	3:2:	C[5]-4:N[5]-2:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-3:O[5]-2:	O[5](C[5]C[5]HH)(N[5]C[5])	C[5](C[5]C[5]CH)(O[5]N[5])(H)2	N[5](C[5]C[5]C)(O[5]C[5])	O[5](C[5]C[5]HH)(N[5]C[5]){1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(O[5]N[5])(H)2{1|C<4>}	N[5](C[5]C[5]C)(O[5]C[5]){1|C<4>,3|H<1>}	109.2560	0.659	2	109.2560	0.434	2	109.2560	0.434	2	108.1012	1.110	13	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:2:3:1:	3:2:	C[5]-4:N[5]-2:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-3:O[5]-2:	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]CH)(O[5]N[5])(CCO)(H)	N[5](C[5]C[6a]C[5])(O[5]C[5])	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(O[5]N[5])(CCO)(H){1|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	106.9950	0.000	1	106.9950	0.000	1	108.3787	1.574	4	108.3787	1.574	4	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:2:3:1:	3:2:	C[5]-4:N[5]-2:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-3:O[5]-2:	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H)	N[5](C[5]C[6a]C[5])(O[5]C[5])	O[5](C[5]C[5]CH)(N[5]C[5]){1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(H){1|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){2|H<1>,4|C<3>}	108.4435	1.107	2	108.4435	1.225	2	108.3787	1.574	4	108.3787	1.574	4	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:2:3:1:	3:2:	C[5]-4:N[5]-2:	C[5]-4:O[5]-2:C-3:H-1:	C[5]-3:O[5]-2:	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]HH)(O[5]N[5])(CCH)(H)	N[5](C[5]C[6a]C[5])(O[5]C[5])	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]N[5])(CCH)(H){1|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){3|C<3>,3|H<1>}	109.6330	0.000	1	109.6330	0.000	1	108.3787	1.574	4	108.3787	1.574	4	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:2:3:2:	3:2:	C[5]-4:N[5]-2:	C[5]-4:O[5]-2:C-3:O-2:	C[5]-3:O[5]-2:	O[5](C[5]C[5]CO)(N[5]C[5])	C[5](C[5]C[5]CC)(O[5]N[5])(CC[6a]O)(OH)	N[5](C[5]C[6a]C[5])(O[5]C[5])	O[5](C[5]C[5]CO)(N[5]C[5]){1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(O[5]N[5])(CC[6a]O)(OH){1|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|O<2>,2|C<4>,3|C<3>}	107.7980	0.000	1	107.7980	0.000	1	108.4553	0.510	3	108.4553	0.510	3	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:2:3:2:	3:2:	C[5]-4:N[5]-2:	C[5]-4:O[5]-2:C-3:O-2:	C[5]-3:O[5]-2:	O[5](C[5]C[5]CO)(N[5]C[5])	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(OH)	N[5](C[5]C[6a]C[5])(O[5]C[5])	O[5](C[5]C[5]CO)(N[5]C[5]){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(O[5]N[5])(COO)(OH){1|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	108.7840	0.610	2	108.7840	0.372	2	108.4553	0.510	3	108.4553	0.510	3	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:2:3:3:	3:2:	C[5]-4:N[5]-2:	C[5]-4:O[5]-2:C-3:N-3:	C[5]-3:O[5]-2:	O[5](C[5]C[5]CN)(N[5]C[5])	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(COO)(NCH)	N[5](C[5]C[5]Br)(O[5]C[5])	O[5](C[5]C[5]CN)(N[5]C[5]){1|Br<1>,1|C<3>,1|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(COO)(NCH){1|Br<1>,2|C<3>}	N[5](C[5]C[5]Br)(O[5]C[5]){1|H<1>,1|N<3>,2|C<3>}	109.5190	0.000	1	109.5190	0.000	1	109.5190	0.000	1	109.5190	0.000	1	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:2:3:4:	3:2:	C[5]-4:N[5]-2:	C[5]-4:O[5]-2:C-3:C-4:	C[5]-3:O[5]-2:	O[5](C[5]C[5]CC)(N[5]C[5])	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CC[5]O)(CCHH)	N[5](C[5]C[6a]C[5])(O[5]C[5])	O[5](C[5]C[5]CC)(N[5]C[5]){1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(O[5]N[5])(CC[5]O)(CCHH){3|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|C<4>,1|H<1>,4|C<3>}	109.2740	0.925	2	109.2740	0.855	2	109.2740	0.855	2	109.2740	0.855	2	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:2:4:1:	3:2:	C[5]-4:N[5]-2:	C[5,5]-4:O[5]-2:C-4:H-1:	C[5,5]-3:O[5]-2:	O[5](C[5]C[5,5]CH)(N[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CCHH)(H)	N[5](C[5,5]C[5,5]C[5])(O[5]C[5])	O[5](C[5]C[5,5]CH)(N[5]C[5,5]){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[5](C[5,5]C[5,5]C[5])(O[5]C[5]){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	109.2170	0.000	1	109.2170	0.000	1	109.2170	0.000	1	108.6148	1.335	19	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:2:4:1:	3:2:	C[5]-4:N[5]-2:	C[5,6]-4:O[5]-2:C-4:H-1:	C[5,6]-3:O[5]-2:	O[5](C[5]C[5,6]CH)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(CHHO)(H)	N[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5])	O[5](C[5]C[5,6]CH)(N[5]C[5,6]){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	N[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	108.1230	0.000	1	108.1230	0.000	1	108.1230	0.000	1	108.6148	1.335	19	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:2:4:1:	3:2:	C[5]-4:N[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-3:O[5]-2:	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]CC)(O[5]N[5])(CCHH)(H)	N[5](C[5]C[6a]C[5])(O[5]C[5])	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(O[5]N[5])(CCHH)(H){1|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|H<1>,2|C<3>,3|C<4>}	106.9360	0.226	2	106.9360	0.051	2	108.6084	1.464	17	108.6148	1.335	19	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:2:4:1:	3:2:	C[5]-4:N[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-3:O[5]-2:	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]CC)(O[5]N[5])(CC[5]HH)(H)	N[5](C[5]C[6a]C[5])(O[5]C[5])	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(O[5]N[5])(CC[5]HH)(H){1|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|H<1>,2|C<3>,3|C<4>}	106.9040	0.000	1	106.9040	0.000	1	108.6084	1.464	17	108.6148	1.335	19	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:2:4:1:	3:2:	C[5]-4:N[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-3:O[5]-2:	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]CH)(O[5]N[5])(CC3)(H)	N[5](C[5]C[6a]C[5])(O[5]C[5])	O[5](C[5]C[5]CH)(N[5]C[5]){1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(O[5]N[5])(CC3)(H){1|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	109.4385	0.773	2	109.4385	0.597	2	108.6084	1.464	17	108.6148	1.335	19	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:2:4:1:	3:2:	C[5]-4:N[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-3:O[5]-2:	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]CH)(O[5]N[5])(CHHO)(H)	N[5](C[5]C[5]C)(O[5]C[5])	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(O[5]N[5])(CHHO)(H){1|C<4>}	N[5](C[5]C[5]C)(O[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	108.8920	0.407	2	108.8920	0.166	2	108.6084	1.464	17	108.6148	1.335	19	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:2:4:1:	3:2:	C[5]-4:N[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-3:O[5]-2:	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H)	N[5](C[5]C[6a]C[5])(O[5]C[5])	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(H){1|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	109.3375	0.305	4	109.3375	0.093	4	108.6084	1.464	17	108.6148	1.335	19	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:2:4:1:	3:2:	C[5]-4:N[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-3:O[5]-2:	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]CH)(H)	N[5](C[5]C[6a]C[5])(O[5]C[5])	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]N[5])(CC[5]CH)(H){1|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	110.0240	0.000	1	110.0240	0.000	1	108.6084	1.464	17	108.6148	1.335	19	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:2:4:1:	3:2:	C[5]-4:N[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-3:O[5]-2:	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H)	N[5](C[5]C[6a]C[5])(O[5]C[5])	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(H){1|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	108.3310	0.000	1	108.3310	0.000	1	108.6084	1.464	17	108.6148	1.335	19	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:2:4:1:	3:2:	C[5]-4:N[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-3:O[5]-2:	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]HH)(O[5]N[5])(CHHS)(H)	N[5](C[5]C[6a]C[5])(O[5]C[5])	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]N[5])(CHHS)(H){1|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	109.5850	0.000	1	109.5850	0.000	1	108.6084	1.464	17	108.6148	1.335	19	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:2:4:1:	3:2:	C[5]-4:N[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-3:O[5]-2:	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]HH)(O[5]N[5])(CN[5]HH)(H)	N[5](C[5]C[5a]C[5])(O[5]C[5])	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]N[5])(CN[5]HH)(H){1|C<3>}	N[5](C[5]C[5a]C[5])(O[5]C[5]){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	108.1870	0.000	1	108.1870	0.000	1	108.6084	1.464	17	108.6148	1.335	19	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:2:4:1:	3:2:	C[5]-4:N[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-3:O[5]-2:	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]HH)(O[5]N[5])(CN[6]HH)(H)	N[5](C[5]C[6a]C[5])(O[5]C[5])	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]N[5])(CN[6]HH)(H){1|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	109.3500	0.000	1	109.3500	0.000	1	108.6084	1.464	17	108.6148	1.335	19	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:2:4:1:	3:2:	C[5]-4:N[5]-2:	C[5]-4:O[5]-2:C-4:H-1:	C[5]-3:O[5]-2:	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]HN)(O[5]N[5])(CH3)(H)	N[5](C[5]C[5]O)(O[5]C[5])	O[5](C[5]C[5]CH)(N[5]C[5]){1|H<1>,1|N<4>,1|O<1>}	C[5](C[5]C[5]HN)(O[5]N[5])(CH3)(H){1|O<1>}	N[5](C[5]C[5]O)(O[5]C[5]){1|C<4>,1|N<4>,2|H<1>}	106.0780	0.000	1	106.0780	0.000	1	108.6084	1.464	17	108.6148	1.335	19	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:2:4:2:	3:2:	C[5]-4:N[5]-2:	C[5]-4:O[5]-2:C-4:S-2:	C[5]-3:O[5]-2:	O[5](C[5]C[5]CS)(N[5]C[5])	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(SC)	N[5](C[5]C[6a]C[5])(O[5]C[5])	O[5](C[5]C[5]CS)(N[5]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]N[5])(CCHH)(SC){1|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	109.6740	0.000	1	109.6740	0.000	1	109.6740	0.000	1	109.6945	0.001	2	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:2:4:2:	3:2:	C[5]-4:N[5]-2:	C[5]-4:O[5]-2:P-4:O-2:	C[5]-3:O[5]-2:	O[5](C[5]C[5]OP)(N[5]C[5])	C[5](C[5]C[5]HH)(O[5]N[5])(PO3)(OC)	N[5](C[5]C[6a]C[5])(O[5]C[5])	O[5](C[5]C[5]OP)(N[5]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]N[5])(PO3)(OC){1|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|O<2>,1|P<4>,2|C<3>,2|H<1>}	109.7150	0.000	1	109.7150	0.000	1	109.7150	0.000	1	109.6945	0.001	2	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:2:4:4:	3:2:	C[5]-4:N[5]-2:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5,5]-3:O[5]-2:	O[5](C[5]C[5,5]CC)(N[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CCCH)2	N[5](C[5,5]C[5,5]2)(O[5]C[5])	O[5](C[5]C[5,5]CC)(N[5]C[5,5]){1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]N[5])(CCCH)2{2|C<4>,2|H<1>}	N[5](C[5,5]C[5,5]2)(O[5]C[5]){1|C<3>,1|H<1>,5|C<4>}	109.1490	0.000	1	109.1490	0.000	1	109.1490	0.000	1	109.5340	0.070	4	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:2:4:4:	3:2:	C[5]-4:N[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-3:O[5]-2:	O[5](C[5]C[5]CC)(N[5]C[5])	C[5](C[5]C[5]HH)(O[5]N[5])(CH3)2	N[5](C[5]C[5]S)(O[5]C[5])	O[5](C[5]C[5]CC)(N[5]C[5]){1|S<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]N[5])(CH3)2{1|S<4>}	N[5](C[5]C[5]S)(O[5]C[5]){2|C<4>,2|H<1>}	109.6815	0.098	2	109.6815	0.010	2	109.6623	0.006	3	109.5340	0.070	4	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:2:4:4:	3:2:	C[5]-4:N[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-3:O[5]-2:	O[5](C[5]C[5]CC)(N[5]C[5])	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(CH3)	N[5](C[5]C[5a]C[5])(O[5]C[5])	O[5](C[5]C[5]CC)(N[5]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]N[5])(CHHO)(CH3){1|C<3>}	N[5](C[5]C[5a]C[5])(O[5]C[5]){1|C<3>,1|S<2>,2|C<4>,2|H<1>}	109.6240	0.000	1	109.6240	0.000	1	109.6623	0.006	3	109.5340	0.070	4	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:3:2:1:	3:2:	C[5]-4:N[5]-2:	C[3,5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-3:O[5]-2:	O[5](C[5]C[3,5]C[6a]H)(N[5]C[5])	C[5](C[3,5]C[3]2C[5])(C[6a]C[6a]2)(O[5]N[5])(H)	N[5](C[5]C[3,5]C[6a])(O[5]C[5])	O[5](C[5]C[3,5]C[6a]H)(N[5]C[5]){2|C<4>,3|C<3>}	C[5](C[3,5]C[3]2C[5])(C[6a]C[6a]2)(O[5]N[5])(H){3|C<3>,6|H<1>}	N[5](C[5]C[3,5]C[6a])(O[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	109.6690	0.000	1	109.6690	0.000	1	109.6690	0.000	1	108.6400	1.128	13	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:3:2:1:	3:2:	C[5]-4:N[5]-2:	C[5,5]-4:C[6a]-3:O[5]-2:H-1:	C[5,5]-3:O[5]-2:	O[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5])	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H)	N[5](C[5,5]C[5,5]C[5])(O[5]C[5])	O[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[5](C[5,5]C[5,5]C[5])(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	107.7833	0.580	3	107.7833	0.336	3	107.7833	0.336	3	108.6400	1.128	13	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:3:2:1:	3:2:	C[5]-4:N[5]-2:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-3:O[5]-2:	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	N[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]){1|C<2>,1|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5]){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	107.9460	0.000	1	108.8491	1.494	7	108.7770	1.322	8	108.6400	1.128	13	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:3:2:1:	3:2:	C[5]-4:N[5]-2:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-3:O[5]-2:	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	N[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]){1|C<2>,1|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|Cl<1>,1|N<3>,3|C<3>,3|H<1>}	N[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5]){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	110.4480	0.000	1	108.8491	1.494	7	108.7770	1.322	8	108.6400	1.128	13	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:3:2:1:	3:2:	C[5]-4:N[5]-2:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-3:O[5]-2:	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	N[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]){1|C<2>,1|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,3|C<3>,4|H<1>}	N[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5]){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	107.7640	0.092	2	108.8491	1.494	7	108.7770	1.322	8	108.6400	1.128	13	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:3:2:1:	3:2:	C[5]-4:N[5]-2:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-3:O[5]-2:	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	N[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]){1|C<4>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|N<3>,3|C<3>,4|H<1>}	N[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5]){1|C<4>,1|H<1>,4|C<3>}	108.5610	0.000	1	108.8491	1.494	7	108.7770	1.322	8	108.6400	1.128	13	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:3:2:1:	3:2:	C[5]-4:N[5]-2:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-3:O[5]-2:	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	N[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]){1|C<4>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,3|C<3>,4|H<1>}	N[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5]){1|C<4>,1|H<1>,4|C<3>}	110.6220	0.000	1	108.8491	1.494	7	108.7770	1.322	8	108.6400	1.128	13	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:3:2:1:	3:2:	C[5]-4:N[5]-2:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-3:O[5]-2:	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H)	N[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]){1|C<4>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(O[5]N[5])(H){2|O<2>,3|C<3>,3|H<1>}	N[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5]){1|C<4>,1|H<1>,4|C<3>}	108.8390	0.000	1	108.8491	1.494	7	108.7770	1.322	8	108.6400	1.128	13	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:3:2:1:	3:2:	C[5]-4:N[5]-2:	C[5,6]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-3:O[5]-2:	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]N[5])(H)	N[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5])	O[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(O[5]N[5])(H){1|O<2>,3|C<3>,4|H<1>}	N[5](C[5,6]C[6,6a]C[5,6])(O[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	108.2720	0.000	1	108.2720	0.000	1	108.7770	1.322	8	108.6400	1.128	13	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:3:2:1:	3:2:	C[5]-4:N[5]-2:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5]-3:O[5]-2:	O[5](C[5]C[6a]C[5]H)(N[5]C[5])	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H)	N[5](C[5]C[5]C)(O[5]C[5])	O[5](C[5]C[6a]C[5]H)(N[5]C[5]){1|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(O[5]N[5])(H){2|H<1>,5|C<3>}	N[5](C[5]C[5]C)(O[5]C[5]){2|C<3>,2|H<1>}	109.0850	0.000	1	109.0850	0.000	1	109.0850	0.000	1	108.6400	1.128	13	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:4:2:1:	3:2:	C[5]-4:N[5]-2:	C[3x6]-4:C[5]-4:O[5]-2:H-1:	C[5]-3:O[5]-2:	O[5](C[5]C[3x6]C[5]H)(N[5]C[5])	C[5](C[3x6]C[6,6]3)(C[5]C[5]CH)(O[5]N[5])(H)	N[5](C[5]C[6a]C[5])(O[5]C[5])	O[5](C[5]C[3x6]C[5]H)(N[5]C[5]){1|H<1>,2|C<3>,3|C<4>}	C[5](C[3x6]C[6,6]3)(C[5]C[5]CH)(O[5]N[5])(H){1|C<3>,3|C<4>,6|H<1>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	110.1010	0.000	1	110.1010	0.000	1	110.1010	0.000	1	108.4737	1.732	6	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:4:2:1:	3:2:	C[5]-4:N[5]-2:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-3:O[5]-2:	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]CC)(CC[6a]HH)(O[5]N[5])(H)	N[5](C[5]C[6a]C[5])(O[5]C[5])	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(CC[6a]HH)(O[5]N[5])(H){1|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|H<1>,2|C<3>,3|C<4>}	107.7155	2.073	2	107.7155	4.295	2	108.1482	1.371	5	108.4737	1.732	6	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:4:2:1:	3:2:	C[5]-4:N[5]-2:	C[5]-4:C-4:O[5]-2:H-1:	C[5]-3:O[5]-2:	O[5](C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]HH)(CN[5a]HH)(O[5]N[5])(H)	N[5](C[5]C[6a]C[5])(O[5]C[5])	O[5](C[5]C[5]CH)(N[5]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(CN[5a]HH)(O[5]N[5])(H){1|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	108.4367	0.530	3	108.4367	0.281	3	108.1482	1.371	5	108.4737	1.732	6	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:4:2:3:	3:2:	C[5]-4:N[5]-2:	C-4:C[5]-4:O[5]-2:C-3:	C[5]-3:O[5]-2:	O[5](C[5]C[5]CC)(N[5]C[5])	C[5](CC[6a]C[5]H)(C[5]C[5]HH)(O[5]N[5])(COO)	N[5](C[5]C[6a]C[5])(O[5]C[5])	O[5](C[5]C[5]CC)(N[5]C[5]){1|C<3>,2|H<1>}	C[5](CC[6a]C[5]H)(C[5]C[5]HH)(O[5]N[5])(COO){1|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	109.0810	0.000	1	109.0810	0.000	1	109.0810	0.000	1	109.2577	0.053	3	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:4:2:3:	3:2:	C[5]-4:N[5]-2:	C[5,5]-4:C-4:O[5]-2:C-3:	C[5]-3:O[5]-2:	O[5](C[5]C[5,5]CC)(N[5]C[5])	C[5](C[5,5]C[5]2O[5])(CC[6a]HH)(O[5]N[5])(COO)	N[5](C[5]C[5,5]C[6a])(O[5]C[5])	O[5](C[5]C[5,5]CC)(N[5]C[5]){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5,5]C[5]2O[5])(CC[6a]HH)(O[5]N[5])(COO){1|N<2>,2|C<3>,2|H<1>}	N[5](C[5]C[5,5]C[6a])(O[5]C[5]){1|O<2>,2|C<4>,3|C<3>}	109.5180	0.000	1	109.5180	0.000	1	109.5180	0.000	1	109.2577	0.053	3	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:4:2:3:	3:2:	C[5]-4:N[5]-2:	C[6]-4:C[5]-4:O[5]-2:C-3:	C[5]-3:O[5]-2:	O[5](C[5]C[5]C[6]C)(N[5]C[5])	C[5](C[6]C[5a,6]N[6]H)(C[5]C[5]HH)(O[5]N[5])(CHO)	N[5](C[5]C[6a]C[5])(O[5]C[5])	O[5](C[5]C[5]C[6]C)(N[5]C[5]){1|N<3>,2|C<3>,3|H<1>}	C[5](C[6]C[5a,6]N[6]H)(C[5]C[5]HH)(O[5]N[5])(CHO){1|C<4>,1|N<3>,3|C<3>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	109.1740	0.000	1	109.1740	0.000	1	109.1740	0.000	1	109.2577	0.053	3	108.6031	1.268	93	108.7536	1.574	193
976	474	960	5:SP2_SP2_SP3	O[5]	C[5]	N[5]	4:2:	4:4:2:4:	3:2:	C[5]-4:N[5]-2:	C[5]-4:C[6]-4:O[5]-2:C-4:	C[5]-3:O[5]-2:	O[5](C[5]C[5]C[6]C)(N[5]C[5])	C[5](C[5]C[5]HH)(C[6]C[6]2H)(O[5]N[5])(CH3)	N[5](C[5]C[6a]C[5])(O[5]C[5])	O[5](C[5]C[5]C[6]C)(N[5]C[5]){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[6]C[6]2H)(O[5]N[5])(CH3){3|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5])(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	109.5900	0.000	1	109.5900	0.000	1	109.5900	0.000	1	109.5900	0.000	1	108.6031	1.268	93	108.7536	1.574	193
976	474	976	5:SP3_SP2_SP3	O[5]	C[5]	O[5]	4:2:	4:2:4:2:	3:2:	C[5]-4:O[5]-2:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-3:O[5]-2:	O[5](C[5]C[5]CO)(O[5]C[5])	C[5](C[5]C[5]CH)(O[5]O[5])(CH3)(OO)	O[5](C[5]C[5]O)(O[5]C[5])	O[5](C[5]C[5]CO)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(O[5]O[5])(CH3)(OO){1|O<1>}	O[5](C[5]C[5]O)(O[5]C[5]){1|H<1>,1|O<2>,2|C<4>}	106.9320	0.133	2	106.9320	0.018	2	106.9320	0.018	2	106.9320	0.018	2	106.9320	0.018	2	106.9320	0.018	2
976	474	976	5:SP3_SP3_SP3	O[5,6]	C[5,5,6,6]	O[5,6]	4:2:	4:4:3:2:	4:2:	C[5,5,6,6]-4:O[5,6]-2:	C[5,5,6]-4:C[6,6]-4:C[5,6]-3:O[5,6]-2:	C[5,5,6]-4:O[5,6]-2:	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(O[5,6]C[5,5,6])	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]H)(O[5,6]O[5,6])	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(O[5,6]C[5,5,6,6])	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(O[5,6]C[5,5,6]){1|C<3>,2|H<1>,5|C<4>}	C[5,5,6,6](C[5,5,6]C[5,5,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]H)(O[5,6]O[5,6]){1|O<2>,4|C<4>,5|H<1>}	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(O[5,6]C[5,5,6,6]){1|C<3>,1|H<1>,3|C<4>}	104.1590	0.000	1	104.1590	0.000	1	104.1590	0.000	1	104.1590	0.000	1	104.1590	0.000	1	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5,6]	C[5,5,6]	O[5,6]	4:2:	4:2:2:4:	4:2:	C[5,5,6]-4:O[5,6]-2:	C[5,5]-4:O[5,6]-2:O[5,6]-2:C-4:	C[5,5,6]-4:O[5,6]-2:	O[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])	C[5,5,6](C[5,5]C[5,5,6]CH)(O[5,6]O[5,6])2(CH3)	O[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])	O[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6]){1|H<1>,1|O<2>,2|C<4>}	C[5,5,6](C[5,5]C[5,5,6]CH)(O[5,6]O[5,6])2(CH3){1|C<4>}	O[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6]){1|H<1>,1|O<2>,2|C<4>}	102.6594	0.253	8	102.6594	0.064	8	102.6594	0.064	8	102.6594	0.064	8	102.7943	0.220	9	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5,6]	C[5,5,6]	O[5,6]	4:2:	4:3:2:4:	4:2:	C[5,5,6]-4:O[5,6]-2:	C[5,5,6]-4:C[5,6]-3:O[5,6]-2:C-4:	C[5,5,6,6]-4:O[5,6]-2:	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(O[5,6]C[5,5,6,6])	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,6]C[5,6]H)(O[5,6]O[5,6])(CCCH)	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(O[5,6]C[5,5,6])	O[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(O[5,6]C[5,5,6,6]){1|C<3>,1|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,6]C[5,6]H)(O[5,6]O[5,6])(CCCH){1|O<2>,2|C<4>,2|H<1>}	O[5,6](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(O[5,6]C[5,5,6]){1|C<3>,2|H<1>,5|C<4>}	103.8740	0.000	1	103.8740	0.000	1	103.8740	0.000	1	103.8740	0.000	1	102.7943	0.220	9	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5,6,6]	O[5]	4:2:	3:4:4:2:	4:2:	C[5,6,6]-4:O[5]-2:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:O[5]-2:	C[5,6]-4:O[5]-2:	O[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(O[5]C[5,6])	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]ClH)(C[6,6]C[6]2H)(O[5]O[5])	O[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6,6])	O[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(O[5]C[5,6]){1|Cl<1>,2|C<3>,2|H<1>,4|C<4>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]ClH)(C[6,6]C[6]2H)(O[5]O[5]){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	O[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6,6]){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	106.9185	0.022	2	106.9185	0.000	2	106.9185	0.000	2	106.9185	0.000	2	106.5336	0.382	8	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5,6,6]	O[5]	4:2:	4:2:2:4:	4:2:	C[5,6,6]-4:O[5]-2:	C[5,3x6]-4:O[6,6]-2:O[5]-2:C-4:	C[5,6,6]-4:O[5]-2:	O[5](C[5,6,6]C[5,3x6]O[6,6]C)(O[5]C[5,6,6])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]C[3x6])(O[5]O[5])(CH3)	O[5](C[5,6,6]C[5,3x6]O[6,6]C)(O[5]C[5,6,6])	O[5](C[5,6,6]C[5,3x6]O[6,6]C)(O[5]C[5,6,6]){1|O<2>,4|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]C[3x6])(O[5]O[5])(CH3){1|O<2>,2|H<1>,3|C<4>}	O[5](C[5,6,6]C[5,3x6]O[6,6]C)(O[5]C[5,6,6]){1|O<2>,4|C<4>}	105.8655	0.022	2	105.8655	0.000	2	106.1203	0.195	3	106.1203	0.195	3	106.5336	0.382	8	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5,6,6]	O[5]	4:2:	4:2:2:4:	4:2:	C[5,6,6]-4:O[5]-2:	C[5,3x6]-4:O[6,6]-2:O[5]-2:C-4:	C[5,6,6]-4:O[5]-2:	O[5](C[5,6,6]C[5,3x6]O[6,6]C)(O[5]C[5,6,6])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O[5]O[5])(CH3)	O[5](C[5,6,6]C[5,3x6]O[6,6]C[6a])(O[5]C[5,6,6])	O[5](C[5,6,6]C[5,3x6]O[6,6]C)(O[5]C[5,6,6]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(O[5]O[5])(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6,6]C[5,3x6]O[6,6]C[6a])(O[5]C[5,6,6]){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	106.6300	0.000	1	106.6300	0.000	1	106.1203	0.195	3	106.1203	0.195	3	106.5336	0.382	8	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5,6,6]	O[5]	4:2:	4:2:3:2:	4:2:	C[5,6,6]-4:O[5]-2:	C[5,3x6]-4:O[6,6]-2:C[6a]-3:O[5]-2:	C[5,6,6]-4:O[5]-2:	O[5](C[5,6,6]C[5,3x6]O[6,6]C[6a])(O[5]C[5,6,6])	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(C[6a]C[6a]2)(O[5]O[5])	O[5](C[5,6,6]C[5,3x6]O[6,6]C)(O[5]C[5,6,6])	O[5](C[5,6,6]C[5,3x6]O[6,6]C[6a])(O[5]C[5,6,6]){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(C[6a]C[6a]2)(O[5]O[5]){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	O[5](C[5,6,6]C[5,3x6]O[6,6]C)(O[5]C[5,6,6]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	105.7300	0.000	1	105.7300	0.000	1	105.7300	0.000	1	105.7300	0.000	1	106.5336	0.382	8	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5,6,6]	O[5]	4:2:	4:4:3:2:	4:2:	C[5,6,6]-4:O[5]-2:	C[5,6,6]-4:C[6,6]-4:C[6]-3:O[5]-2:	C[5,6]-4:O[5]-2:	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(O[5]O[5])	O[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6,6])	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6]){1|H<1>,1|O<1>,2|C<3>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(O[5]O[5]){2|C<3>,4|C<4>,5|H<1>}	O[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6,6]){1|H<1>,2|C<3>,3|C<4>}	107.1705	0.125	2	107.1705	0.016	2	107.1705	0.016	2	107.1705	0.016	2	106.5336	0.382	8	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5,6]	O[5]	4:2:	2:3:4:2:	4:2:	C[5,6]-4:O[5]-2:	O[5,6]-2:C[6a]-3:C[6]-4:O[5]-2:	C[5,6]-4:O[5]-2:	O[5](C[5,6]O[5,6]C[6a]C[6])(O[5]C[5,6])	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]S[6]CC)(O[5]O[5])	O[5](C[5,6]O[5,6]C[6a]C[6])(O[5]C[5,6])	O[5](C[5,6]O[5,6]C[6a]C[6])(O[5]C[5,6]){1|S<2>,3|C<3>,3|C<4>}	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]S[6]CC)(O[5]O[5]){1|C<4>,2|H<1>,3|C<3>}	O[5](C[5,6]O[5,6]C[6a]C[6])(O[5]C[5,6]){1|S<2>,3|C<3>,3|C<4>}	105.8575	0.153	2	105.8575	0.024	2	105.8575	0.024	2	105.8575	0.024	2	105.0859	2.504	26	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5,6]	O[5]	4:2:	2:4:2:1:	4:2:	C[5,6]-4:O[5]-2:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:	O[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(H)	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])	O[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6]){2|H<1>,3|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(H){1|C<3>,1|H<1>,2|C<4>}	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6]){2|C<4>,3|H<1>}	103.5750	0.000	1	103.7000	0.031	2	103.7000	0.031	2	103.7000	0.031	2	105.0859	2.504	26	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5,6]	O[5]	4:2:	2:4:2:1:	4:2:	C[5,6]-4:O[5]-2:	O[5,6]-2:C[6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:	O[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(H)	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])	O[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6]){2|H<1>,3|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(H){2|C<4>,2|H<1>}	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6]){2|C<4>,3|H<1>}	103.8250	0.000	1	103.7000	0.031	2	103.7000	0.031	2	103.7000	0.031	2	105.0859	2.504	26	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5,6]	O[5]	4:2:	2:4:2:4:	4:2:	C[5,6]-4:O[5]-2:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[5]-2:	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]O[5])(CH3)	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6]){1|C<3>,4|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]O[5])(CH3){2|C<4>,2|H<1>}	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6]){2|H<1>,3|C<4>}	105.3697	0.102	3	105.2377	0.064	7	105.0279	0.135	14	105.0279	0.135	14	105.0859	2.504	26	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5,6]	O[5]	4:2:	2:4:2:4:	4:2:	C[5,6]-4:O[5]-2:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[5]-2:	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]O[5])(CH3)	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6]){5|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]CC)(O[5]O[5])(CH3){4|C<4>}	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6]){5|C<4>}	105.1388	0.302	4	105.2377	0.064	7	105.0279	0.135	14	105.0279	0.135	14	105.0859	2.504	26	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5,6]	O[5]	4:2:	2:4:2:4:	4:2:	C[5,6]-4:O[5]-2:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[5]-2:	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]O[5])(CH3)	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6]){1|C<3>,1|H<1>,3|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]CH)(O[5]O[5])(CH3){2|C<4>,2|H<1>}	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6]){2|H<1>,3|C<4>}	104.9050	0.000	1	104.9050	0.000	1	105.0279	0.135	14	105.0279	0.135	14	105.0859	2.504	26	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5,6]	O[5]	4:2:	2:4:2:4:	4:2:	C[5,6]-4:O[5]-2:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[5]-2:	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CCHH)	O[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6]){2|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CCHH){1|C<4>,3|H<1>}	O[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6]){2|H<1>,3|C<4>}	104.8170	0.000	1	104.8170	0.000	1	105.0279	0.135	14	105.0279	0.135	14	105.0859	2.504	26	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5,6]	O[5]	4:2:	2:4:2:4:	4:2:	C[5,6]-4:O[5]-2:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[5]-2:	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3)	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6]){2|H<1>,3|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3){2|C<4>,2|H<1>}	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6]){1|C<3>,1|H<1>,3|C<4>}	105.0280	0.000	1	104.7200	0.203	4	105.0279	0.135	14	105.0279	0.135	14	105.0859	2.504	26	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5,6]	O[5]	4:2:	2:4:2:4:	4:2:	C[5,6]-4:O[5]-2:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[5]-2:	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3)	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6]){2|H<1>,3|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3){2|C<4>,2|H<1>}	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6]){1|C<3>,4|C<4>}	104.6173	0.491	3	104.7200	0.203	4	105.0279	0.135	14	105.0279	0.135	14	105.0859	2.504	26	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5,6]	O[5]	4:2:	2:4:2:4:	4:2:	C[5,6]-4:O[5]-2:	O[5,6]-2:C[6]-4:O[5]-2:C-4:	C[5,6]-4:O[5]-2:	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3)	O[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6])	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6]){2|C<4>,3|H<1>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(O[5]O[5])(CH3){1|C<3>,1|C<4>,2|H<1>}	O[5](C[5,6]O[5,6]C[6]H)(O[5]C[5,6]){2|H<1>,3|C<4>}	105.1250	0.000	1	105.1250	0.000	1	105.0279	0.135	14	105.0279	0.135	14	105.0859	2.504	26	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5,6]	O[5]	4:2:	3:2:2:4:	4:2:	C[5,6]-4:O[5]-2:	C[6,6]-3:O[5,6]-2:O[5]-2:C-4:	C[5,6]-4:O[5]-2:	O[5](C[5,6]C[6,6]O[5,6]C)(O[5]C[5,6])	C[5,6](C[6,6]C[6,6]N[6])(O[5,6]C[5,6])(O[5]O[5])(CH3)	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])	O[5](C[5,6]C[6,6]O[5,6]C)(O[5]C[5,6]){1|N<2>,3|C<4>}	C[5,6](C[6,6]C[6,6]N[6])(O[5,6]C[5,6])(O[5]O[5])(CH3){2|C<3>,3|C<4>}	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6]){1|C<3>,2|C<4>,2|H<1>}	102.2810	0.000	1	102.2810	0.000	1	102.2810	0.000	1	102.2810	0.000	1	105.0859	2.504	26	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5,6]	O[5]	4:2:	4:2:2:4:	4:2:	C[5,6]-4:O[5]-2:	C[6]-4:O[5,6]-2:O[5]-2:C-4:	C[5,6]-4:O[5]-2:	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6])	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(O[5]O[5])(CH3)	O[5](C[5,6]C[6,6]O[5,6]C)(O[5]C[5,6])	O[5](C[5,6]O[5,6]C[6]C)(O[5]C[5,6]){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[6]C[6,6]HH)(O[5,6]C[5,6])(O[5]O[5])(CH3){2|C<3>,2|C<4>}	O[5](C[5,6]C[6,6]O[5,6]C)(O[5]C[5,6]){1|N<2>,3|C<4>}	106.4320	0.000	1	106.4320	0.000	1	106.4320	0.000	1	106.4320	0.000	1	105.0859	2.504	26	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5,6]	O[5]	4:2:	4:3:2:1:	4:2:	C[5,6]-4:O[5]-2:	C[5,6,6]-4:C[6]-3:O[5]-2:H-1:	C[5,6,6]-4:O[5]-2:	O[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6,6])	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[6]C[6]H)(O[5]O[5])(H)	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6])	O[5](C[5,6]C[5,6,6]C[6]H)(O[5]C[5,6,6]){1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(C[6]C[6]H)(O[5]O[5])(H){1|C<3>,2|H<1>,3|C<4>}	O[5](C[5,6,6]C[5,6,6]C[6,6]C[6])(O[5]C[5,6]){1|H<1>,1|O<1>,2|C<3>,5|C<4>}	107.1665	0.192	2	107.1665	0.037	2	107.1665	0.037	2	107.1665	0.037	2	105.0859	2.504	26	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5,6]	O[5]	4:2:	4:4:2:2:	4:2:	C[5,6]-4:O[5]-2:	C[6]-4:C[6]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:	O[5](C[5,6]C[6]2O[5])(O[5]C[5])	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])(O[5]O[5])	O[5](C[5]C[6a]O[5]C)(O[5]C[5,6])	O[5](C[5,6]C[6]2O[5])(O[5]C[5]){1|C<3>,3|C<4>,4|H<1>}	C[5,6](C[6]C[6,6]HH)(C[6]C[6]HH)(O[5]C[5])(O[5]O[5]){1|C<3>,6|C<4>}	O[5](C[5]C[6a]O[5]C)(O[5]C[5,6]){2|C<3>,2|C<4>}	100.9790	0.000	1	100.9790	0.000	1	100.9790	0.000	1	100.9790	0.000	1	105.0859	2.504	26	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5,6]	O[5]	4:2:	4:4:2:4:	4:2:	C[5,6]-4:O[5]-2:	C[5,6]-4:C[6]-4:O[5]-2:C-4:	C[5,6,6]-4:O[5]-2:	O[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6,6])	C[5,6](C[5,6]C[5,6,6]ClH)(C[6]C[6]HH)(O[5]O[5])(CH3)	O[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(O[5]C[5,6])	O[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6,6]){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6,6]ClH)(C[6]C[6]HH)(O[5]O[5])(CH3){1|C<3>,1|C<4>,2|H<1>}	O[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(O[5]C[5,6]){1|Cl<1>,2|C<3>,2|H<1>,4|C<4>}	107.8905	0.258	2	107.8905	0.067	2	107.8905	0.067	2	107.8905	0.067	2	105.0859	2.504	26	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5,6]	O[5]	4:2:	4:4:4:2:	4:2:	C[5,6]-4:O[5]-2:	C[5]-4:C[6]-4:C[6]-4:O[5]-2:	C[5]-4:O[5]-2:	O[5](C[5,6]C[5]C[6]2)(O[5]C[5])	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]O[5])	O[5](C[5]C[5]CC)(O[5]C[5,6])	O[5](C[5,6]C[5]C[6]2)(O[5]C[5]){4|C<4>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(O[5]O[5]){3|C<4>,4|H<1>}	O[5](C[5]C[5]CC)(O[5]C[5,6]){2|C<4>,2|H<1>}	102.9210	0.000	1	102.9210	0.000	1	102.9210	0.000	1	102.9210	0.000	1	105.0859	2.504	26	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5]	O[5]	4:2:	2:2:4:1:	4:2:	C[5]-4:O[5]-2:	O[5]-2:O[5]-2:C-4:Cl-1:	C[5]-4:O[5]-2:	O[5](C[5]O[5]ClC)(O[5]C[5])	C[5](O[5]C[5])(O[5]O[5])(CClHH)(Cl)	O[5](C[5]O[5]ClC)(O[5]C[5])	O[5](C[5]O[5]ClC)(O[5]C[5]){1|Cl<1>,1|C<4>}	C[5](O[5]C[5])(O[5]O[5])(CClHH)(Cl){1|Cl<1>,1|C<4>}	O[5](C[5]O[5]ClC)(O[5]C[5]){1|Cl<1>,1|C<4>}	101.4040	0.395	2	101.4040	0.156	2	101.4040	0.156	2	101.4040	0.156	2	103.9324	2.252	24	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5]	O[5]	4:2:	3:2:2:4:	4:2:	C[5]-4:O[5]-2:	C[6a]-3:O[5]-2:O[5]-2:C-4:	C[5,6]-4:O[5]-2:	O[5](C[5]C[6a]O[5]C)(O[5]C[5,6])	C[5](C[6a]C[6a]2)(O[5]C[5,6])(O[5]O[5])(CF3)	O[5](C[5,6]C[6]2O[5])(O[5]C[5])	O[5](C[5]C[6a]O[5]C)(O[5]C[5,6]){2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(O[5]C[5,6])(O[5]O[5])(CF3){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5,6]C[6]2O[5])(O[5]C[5]){1|C<3>,3|C<4>,4|H<1>}	102.0890	0.000	1	102.0890	0.000	1	102.0890	0.000	1	102.0890	0.000	1	103.9324	2.252	24	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5]	O[5]	4:2:	3:2:4:2:	4:2:	C[5]-4:O[5]-2:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:O[5]-2:	O[5](C[5]C[5]CO)(O[5]C[5])	C[5](C[5]C[5]C)(O[5]O[5])(CCHH)(OH)	O[5](C[5]C[5]CC)(O[5]C[5])	O[5](C[5]C[5]CO)(O[5]C[5]){1|C<3>,2|C<4>}	C[5](C[5]C[5]C)(O[5]O[5])(CCHH)(OH){2|C<4>}	O[5](C[5]C[5]CC)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>}	104.3030	0.000	1	104.3030	0.000	1	104.3030	0.000	1	104.3030	0.000	1	103.9324	2.252	24	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5]	O[5]	4:2:	3:2:4:4:	4:2:	C[5]-4:O[5]-2:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:	O[5](C[5]C[5]CC)(O[5]C[5])	C[5](C[5]C[5]C)(O[5]O[5])(CH3)2	O[5](C[5]C[5]CO)(O[5]C[5])	O[5](C[5]C[5]CC)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]C[5]C)(O[5]O[5])(CH3)2{1|C<4>,1|O<2>}	O[5](C[5]C[5]CO)(O[5]C[5]){1|C<3>,2|C<4>}	104.4190	0.000	1	104.4190	0.000	1	104.4190	0.000	1	104.4190	0.000	1	103.9324	2.252	24	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5]	O[5]	4:2:	3:3:4:2:	4:2:	C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:O[5]-2:	O[5](C[5]C[6a]2C[5])(O[5]C[5])	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]O[5])	O[5](C[5]C[5]C[6]H)(O[5]C[5])	O[5](C[5]C[6a]2C[5])(O[5]C[5]){1|C<4>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]O[5]){1|C<4>,4|C<3>,5|H<1>}	O[5](C[5]C[5]C[6]H)(O[5]C[5]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	104.7310	0.000	1	104.7310	0.000	1	104.7310	0.000	1	104.7310	0.000	1	103.9324	2.252	24	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5]	O[5]	4:2:	3:4:2:2:	4:2:	C[5]-4:O[5]-2:	C[6a]-3:C[5]-4:O[5]-2:O-2:	C[5]-4:O[5]-2:	O[5](C[5]C[6a]C[5]O)(O[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]O[5])(OO)	O[5](C[5]C[5]CC)(O[5]C[5])	O[5](C[5]C[6a]C[5]O)(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]O[5])(OO){2|C<3>,2|C<4>,2|H<1>}	O[5](C[5]C[5]CC)(O[5]C[5]){1|C<3>,1|O<2>,2|H<1>}	103.3675	0.183	2	103.3675	0.034	2	103.3675	0.034	2	103.3675	0.034	2	103.9324	2.252	24	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5]	O[5]	4:2:	4:2:3:4:	4:2:	C[5]-4:O[5]-2:	C[5]-4:O[5]-2:C-3:C-4:	C[5]-4:O[5]-2:	O[5](C[5]C[5]CC)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]O[5])(CN[5]O)(CCHH)	O[5](C[5]C[5]CC)(O[5]C[5])	O[5](C[5]C[5]CC)(O[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]O[5])(CN[5]O)(CCHH){1|C<3>,1|C<4>}	O[5](C[5]C[5]CC)(O[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	104.3460	0.000	1	104.3460	0.000	1	104.3460	0.000	1	104.3460	0.000	1	103.9324	2.252	24	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5]	O[5]	4:2:	4:2:4:2:	4:2:	C[5]-4:O[5]-2:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:O[5]-2:	O[5](C[5]C[5]CO)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)(OO)	O[5](C[5]C[5]CC)(O[5]C[5])	O[5](C[5]C[5]CO)(O[5]C[5]){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)(OO){2|C<4>}	O[5](C[5]C[5]CC)(O[5]C[5]){1|C<4>,1|O<2>,2|H<1>}	104.0180	0.000	1	104.0180	0.000	1	103.5480	0.077	5	103.5480	0.077	5	103.9324	2.252	24	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5]	O[5]	4:2:	4:2:4:2:	4:2:	C[5]-4:O[5]-2:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:O[5]-2:	O[5](C[5]C[5]CO)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]O[5])(CF3)(OH)	O[5](C[5]C[5]CO)(O[5]C[5])	O[5](C[5]C[5]CO)(O[5]C[5]){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]O[5])(CF3)(OH){1|C<4>,1|O<2>}	O[5](C[5]C[5]CO)(O[5]C[5]){1|C<4>,1|O<2>,2|H<1>}	103.3545	0.052	2	103.3545	0.003	2	103.5480	0.077	5	103.5480	0.077	5	103.9324	2.252	24	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5]	O[5]	4:2:	4:2:4:2:	4:2:	C[5]-4:O[5]-2:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-4:O[5]-2:	O[5](C[5]C[5]CO)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]O[5])(CH3)(OO)	O[5](C[5]C[5]CO)(O[5]C[5])	O[5](C[5]C[5]CO)(O[5]C[5]){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]O[5])(CH3)(OO){1|C<4>,1|O<2>}	O[5](C[5]C[5]CO)(O[5]C[5]){1|C<4>,1|O<2>,2|H<1>}	103.5065	0.066	2	103.5065	0.004	2	103.5480	0.077	5	103.5480	0.077	5	103.9324	2.252	24	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5]	O[5]	4:2:	4:2:4:3:	4:2:	C[5]-4:O[5]-2:	C[5]-4:O[5]-2:C-4:C-3:	C[5]-4:O[5]-2:	O[5](C[5]C[5]CC)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)(CCH)	O[5](C[5]C[5]CC)(O[5]C[5])	O[5](C[5]C[5]CC)(O[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)(CCH){1|C<3>,1|C<4>}	O[5](C[5]C[5]CC)(O[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	102.7520	0.000	1	102.7520	0.000	1	102.7520	0.000	1	102.7520	0.000	1	103.9324	2.252	24	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5]	O[5]	4:2:	4:2:4:4:	4:2:	C[5]-4:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	C[5,6]-4:O[5]-2:	O[5](C[5]C[5]CC)(O[5]C[5,6])	C[5](C[5]C[5,6]HH)(O[5]O[5])(CCHH)(CH3)	O[5](C[5,6]C[5]C[6]2)(O[5]C[5])	O[5](C[5]C[5]CC)(O[5]C[5,6]){2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(O[5]O[5])(CCHH)(CH3){2|C<4>}	O[5](C[5,6]C[5]C[6]2)(O[5]C[5]){4|C<4>,6|H<1>}	102.9380	0.000	1	102.9380	0.000	1	102.9380	0.000	1	104.7214	2.858	7	103.9324	2.252	24	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5]	O[5]	4:2:	4:2:4:4:	4:2:	C[5]-4:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:	O[5](C[5]C[5]CC)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)2	O[5](C[5]C[5]CC)(O[5]C[5])	O[5](C[5]C[5]CC)(O[5]C[5]){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]O[5])(CCHH)2{2|C<4>}	O[5](C[5]C[5]CC)(O[5]C[5]){2|C<4>,2|H<1>}	107.4460	0.000	1	107.4460	0.000	1	105.0187	2.687	6	104.7214	2.858	7	103.9324	2.252	24	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5]	O[5]	4:2:	4:2:4:4:	4:2:	C[5]-4:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:	O[5](C[5]C[5]CC)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3)	O[5](C[5]C[5]CC)(O[5]C[5])	O[5](C[5]C[5]CC)(O[5]C[5]){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3){2|C<4>}	O[5](C[5]C[5]CC)(O[5]C[5]){2|C<4>,2|H<1>}	106.3330	0.000	1	106.3330	0.000	1	105.0187	2.687	6	104.7214	2.858	7	103.9324	2.252	24	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5]	O[5]	4:2:	4:2:4:4:	4:2:	C[5]-4:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:	O[5](C[5]C[5]CC)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3)	O[5](C[5]C[5]CO)(O[5]C[5])	O[5](C[5]C[5]CC)(O[5]C[5]){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3){1|C<4>,1|O<2>}	O[5](C[5]C[5]CO)(O[5]C[5]){2|C<4>,2|H<1>}	103.6495	1.244	2	103.6495	1.547	2	105.0187	2.687	6	104.7214	2.858	7	103.9324	2.252	24	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5]	O[5]	4:2:	4:2:4:4:	4:2:	C[5]-4:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	C[5]-4:O[5]-2:	O[5](C[5]C[5]CC)(O[5]C[5])	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3)	O[5](C[5]C[6a]C[5]O)(O[5]C[5])	O[5](C[5]C[5]CC)(O[5]C[5]){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]O[5])(CHHO)(CH3){1|C<3>,1|O<2>}	O[5](C[5]C[6a]C[5]O)(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	104.5170	0.136	2	104.5170	0.018	2	105.0187	2.687	6	104.7214	2.858	7	103.9324	2.252	24	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5]	O[5]	4:2:	4:4:2:1:	4:2:	C[5]-4:O[5]-2:	C[5]-4:C[6]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:	O[5](C[5]C[5]C[6]H)(O[5]C[5])	C[5](C[5]C[5]HH)(C[6]C[6]2O)(O[5]O[5])(H)	O[5](C[5]C[6a]2C[5])(O[5]C[5])	O[5](C[5]C[5]C[6]H)(O[5]C[5]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5]HH)(C[6]C[6]2O)(O[5]O[5])(H){1|B<3>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	O[5](C[5]C[6a]2C[5])(O[5]C[5]){1|C<4>,3|H<1>,4|C<3>}	107.0030	0.000	1	107.0030	0.000	1	107.0030	0.000	1	107.0030	0.000	1	103.9324	2.252	24	104.5322	2.907	68
976	474	976	5:SP3_SP3_SP3	O[5]	C[5]	O[5]	4:2:	4:4:2:2:	4:2:	C[5]-4:O[5]-2:	C[5]-4:C-4:O[5]-2:O-2:	C[5]-4:O[5]-2:	O[5](C[5]C[5]CO)(O[5]C[5])	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]O[5])(OO)	O[5](C[5]C[5]CC)(O[5]C[5])	O[5](C[5]C[5]CO)(O[5]C[5]){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(CC[6a]HH)(O[5]O[5])(OO){2|C<4>}	O[5](C[5]C[5]CC)(O[5]C[5]){1|C<4>,1|O<2>,2|H<1>}	104.4010	0.000	1	104.4010	0.000	1	104.4010	0.000	1	104.4010	0.000	1	103.9324	2.252	24	104.5322	2.907	68
976	474	976	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	O[5,6]	4:2:	4:2:2:4:	4:2:	C[5,5,6]-4:O[5,6]-2:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,5,6]-4:O[5,6]-2:	O[5,6](C[5,5,6]C[5,6]O[5,5]C)(O[5,6]C[5,5,6])	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(O[5,6]O[5,6])(CCHH)	O[5,6](C[5,5,6]C[5,6]O[5,5]C)(O[5,6]C[5,5,6])	O[5,6](C[5,5,6]C[5,6]O[5,5]C)(O[5,6]C[5,5,6]){1|H<1>,1|O<2>,2|C<4>}	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(O[5,6]O[5,6])(CCHH){1|C<4>,1|H<1>,1|O<2>}	O[5,6](C[5,5,6]C[5,6]O[5,5]C)(O[5,6]C[5,5,6]){1|H<1>,1|O<2>,2|C<4>}	101.7920	0.000	1	101.7920	0.000	1	102.3450	0.612	2	102.3450	0.612	2	102.3450	0.612	2	102.3450	0.612	2
976	474	976	6:SP3_SP3_SP3	O[5,6]	C[5,5,6]	O[5,6]	4:2:	4:2:2:4:	4:2:	C[5,5,6]-4:O[5,6]-2:	C[5,6]-4:O[5,5]-2:O[5,6]-2:C-4:	C[5,5,6]-4:O[5,6]-2:	O[5,6](C[5,5,6]C[5,6]O[5,5]C)(O[5,6]C[5,5,6])	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(O[5,6]O[5,6])(CH3)	O[5,6](C[5,5,6]C[5,6]O[5,5]C)(O[5,6]C[5,5,6])	O[5,6](C[5,5,6]C[5,6]O[5,5]C)(O[5,6]C[5,5,6]){1|H<1>,1|O<2>,2|C<4>}	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(O[5,6]O[5,6])(CH3){1|C<4>,1|H<1>,1|O<2>}	O[5,6](C[5,5,6]C[5,6]O[5,5]C)(O[5,6]C[5,5,6]){1|H<1>,1|O<2>,2|C<4>}	102.8980	0.000	1	102.8980	0.000	1	102.3450	0.612	2	102.3450	0.612	2	102.3450	0.612	2	102.3450	0.612	2
976	474	997	5:SP3_SP3_SP3	O[5]	C[5]	Se[5]	4:2:	3:2:4:4:	3:2:	C[5]-4:Se[5]-2:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:O[5]-2:	O[5](C[5]C[5,6a]CC)(Se[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Se[5])(CCFF)2	Se[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])	O[5](C[5]C[5,6a]CC)(Se[5]C[5,6a]){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Se[5])(CCFF)2{1|H<1>,2|C<3>}	Se[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5]){2|C<3>,3|C<4>}	114.9360	0.024	2	114.9360	0.001	2	114.9360	0.001	2	114.9360	0.001	2	114.9360	0.001	2	114.9360	0.001	2
976	474	999	5:SP3_SP3_SP3	O[5]	C[5]	N[5,6]	4:4:	4:3:2:1:	4:4:2:1:	N[5,6]-4:C[5]-4:	C[5]-4:C[6a]-3:O[5]-2:H-1:	C[5,6]-4:C[6]-4:O[5]-2:H-1:	O[5](N[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]N[5,6])(H)	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H)	O[5](N[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H){2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(O[5]N[5,6])(H){2|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,7|H<1>}	107.2250	0.021	2	107.2250	0.000	2	107.2250	0.000	2	107.2250	0.000	2	107.2250	0.000	2	106.0589	2.324	7
976	474	999	5:SP3_SP3_SP3	O[5]	C[5]	N[5]	4:4:	4:2:1:1:	4:2:1:1:	C[5]-4:N[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:O[5]-2:H-1:H-1:	O[5](C[5]C[5,6]HH)(N[5]C[5,6]HH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(H)2	O[5](C[5]C[5,6]HH)(N[5]C[5,6]HH){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|C<3>,1|O<2>,5|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>,3|H<1>}	105.8430	0.000	1	105.8430	0.000	1	105.8430	0.000	1	105.8430	0.000	1	105.5924	2.535	5	106.0589	2.324	7
976	474	999	5:SP3_SP3_SP3	O[5]	C[5]	N[5]	4:4:	4:2:1:1:	4:2:4:1:	C[5]-4:N[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5,6]HH)(N[5]C[5,6]CH)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H)	O[5](C[5]C[5,6]HH)(N[5]C[5,6]CH){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|N<3>,2|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)(H){2|C<4>,5|H<1>}	104.7280	0.000	1	104.7280	0.000	1	104.7280	0.000	1	105.4840	1.143	2	105.5924	2.535	5	106.0589	2.324	7
976	474	999	5:SP3_SP3_SP3	O[5]	C[5]	N[5]	4:4:	4:2:1:1:	4:2:4:1:	C[5]-4:N[5]-4:	C[5]-4:O[5]-2:H-1:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]HH)(N[5]C[5]CH)	C[5](C[5]C[5]HH)(O[5]N[5])(H)2	N[5](C[5]C[5]CC)(O[5]C[5])(CH3)(H)	O[5](C[5]C[5]HH)(N[5]C[5]CH){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]N[5])(H)2{1|H<1>,3|C<4>}	N[5](C[5]C[5]CC)(O[5]C[5])(CH3)(H){4|H<1>}	106.2400	0.000	1	106.2400	0.000	1	106.2400	0.000	1	105.4840	1.143	2	105.5924	2.535	5	106.0589	2.324	7
976	474	999	5:SP3_SP3_SP3	O[5]	C[5]	N[5]	4:4:	4:2:1:1:	4:2:4:4:	C[5]-4:N[5]-4:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6]-4:O[5]-2:C-4:C-4:	O[5](C[5]C[5,6]HH)(N[5]C[5,6]CC)	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2	O[5](C[5]C[5,6]HH)(N[5]C[5,6]CC){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]N[5])(H)2{1|N<3>,3|C<4>,3|H<1>}	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)2{2|C<4>,5|H<1>}	107.6860	0.000	1	107.6860	0.000	1	107.6860	0.000	1	107.6860	0.000	1	105.5924	2.535	5	106.0589	2.324	7
976	474	999	5:SP3_SP3_SP3	O[5]	C[5]	N[5]	4:4:	4:4:2:1:	4:2:4:1:	C[5]-4:N[5]-4:	C[5]-4:S-4:O[5]-2:H-1:	C[5]-4:O[5]-2:C-4:H-1:	O[5](C[5]C[5]HS)(N[5]C[5]CH)	C[5](C[5]C[5]HS)(SC[6a]OO)(O[5]N[5])(H)	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(H)	O[5](C[5]C[5]HS)(N[5]C[5]CH){1|C<3>,1|S<4>,2|H<1>}	C[5](C[5]C[5]HS)(SC[6a]OO)(O[5]N[5])(H){1|C<3>,1|C<4>,2|H<1>}	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(H){2|C<3>,2|H<1>,2|S<4>}	103.4650	0.000	1	103.4650	0.000	1	103.4650	0.000	1	103.4650	0.000	1	105.5924	2.535	5	106.0589	2.324	7
976	474	999	6:SP3_SP3_SP3	O[5,6]	C[5,6,6]	N[5,6]	4:4:	4:4:2:3:	4:2:4:4:	C[5,6,6]-4:N[5,6]-4:	C[5,6,6]-4:C[6,6]-4:O[5,6]-2:C-3:	C[5,6]-4:O[5,6]-2:C[6]-4:C-4:	O[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(N[5,6]C[5,6]C[6]C)	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]HH)(O[5,6]N[5,6])(CCO)	N[5,6](C[5,6]C[5,6,6]C[6]H)(O[5,6]C[5,6,6])(C[6]C[6,6]HH)(CH3)	O[5,6](C[5,6,6]C[5,6,6]C[6,6]C)(N[5,6]C[5,6]C[6]C){3|C<4>,6|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[6,6]C[6,6]HH)(O[5,6]N[5,6])(CCO){1|C<3>,3|H<1>,4|C<4>}	N[5,6](C[5,6]C[5,6,6]C[6]H)(O[5,6]C[5,6,6])(C[6]C[6,6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	103.1390	0.000	1	103.1390	0.000	1	103.1390	0.000	1	103.1390	0.000	1	103.1390	0.000	1	103.1390	0.000	1
976	478	478	5:SP3_SP3_SP3	O[5]	C[4,5]	C[4,5]	4:4:	4:4:2:1:	4:2:2:1:	C[4,5]-4:C[4,5]-4:	C[4,5]-4:C[4,5]-4:O[5]-2:H-1:	C[4,5]-4:O[4]-2:O[5]-2:H-1:	O[5](C[4,5]C[4,5]O[4]H)(C[4,5]C[4,5]2H)	C[4,5](C[4,5]C[5,6a]C[5]O[4])(C[4,5]C[4,5]O[4]H)(O[5]C[4,5])(H)	C[4,5](C[4,5]C[4,5]2H)(O[4]C[4,5])(O[5]C[4,5])(H)	O[5](C[4,5]C[4,5]O[4]H)(C[4,5]C[4,5]2H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[4,5](C[4,5]C[5,6a]C[5]O[4])(C[4,5]C[4,5]O[4]H)(O[5]C[4,5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[4,5](C[4,5]C[4,5]2H)(O[4]C[4,5])(O[5]C[4,5])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	110.9410	0.000	1	110.9410	0.000	1	110.9410	0.000	1	110.9410	0.000	1	109.1575	6.362	2	109.1575	6.362	2
976	478	478	5:SP3_SP3_SP3	O[5]	C[4,5]	C[4,5]	4:4:	4:4:2:1:	4:4:2:1:	C[4,5]-4:C[4,5]-4:	C[4,4,5]-4:C[4,6]-4:O[5]-2:H-1:	C[4,4,5]-4:C[4,6]-4:O[5]-2:H-1:	O[5](C[4,5]C[4,4,5]C[4,6]H)2	C[4,5](C[4,4,5]C[4,4,5]C[4,4,6]C)(C[4,6]C[4,4,6]C[6,6a]H)(O[5]C[4,5])(H)	C[4,5](C[4,4,5]C[4,4,5]C[4,4,6]H)(C[4,6]C[4,4,6]C[6,6a]H)(O[5]C[4,5])(H)	O[5](C[4,5]C[4,4,5]C[4,6]H)2{2|C<3>,3|C<4>,3|H<1>}	C[4,5](C[4,4,5]C[4,4,5]C[4,4,6]C)(C[4,6]C[4,4,6]C[6,6a]H)(O[5]C[4,5])(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[4,5](C[4,4,5]C[4,4,5]C[4,4,6]H)(C[4,6]C[4,4,6]C[6,6a]H)(O[5]C[4,5])(H){2|C<3>,2|H<1>,3|C<4>}	107.3740	0.000	1	107.3740	0.000	1	107.3740	0.000	1	107.3740	0.000	1	109.1575	6.362	2	109.1575	6.362	2
976	478	542	5:SP3_SP2_SP3	O[5]	C[4,5]	N[5]	4:3:	4:4:3:2:	3:4:2:	C[4,5]-4:N[5]-3:	C[4]-4:C[5]-4:C[4]-3:O[5]-2:	C[6a]-3:C[5]-4:O[5]-2:	O[5](C[4,5]C[4]2C[5])(N[5]C[6a]C[5])	C[4,5](C[4]N[4]HH)(C[5]C[5]HH)(C[4]N[4]O)(O[5]N[5])	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[4,5])	O[5](C[4,5]C[4]2C[5])(N[5]C[6a]C[5]){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[4,5](C[4]N[4]HH)(C[5]C[5]HH)(C[4]N[4]O)(O[5]N[5]){1|H<1>,3|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[4,5]){1|C<4>,3|C<3>,4|H<1>}	109.1730	0.000	1	109.1730	0.000	1	109.1730	0.000	1	109.1730	0.000	1	109.1730	0.000	1	109.1730	0.000	1
976	478	542	5:SP3_SP3_SP3	O[5]	C[4,5]	N[5,5]	4:3:	4:4:2:1:	4:4:2:	C[4,5]-4:N[5,5]-3:	C[4,5]-4:C[4,6]-4:O[5]-2:Cl-1:	C[5,5]-4:C[5]-4:O[5]-2:	O[5](C[4,5]C[4,5]C[4,6]Cl)(N[5,5]C[5,5]C[5])	C[4,5](C[4,5]C[4,6]C[5,5]C)(C[4,6]C[4,6]C[6]H)(O[5]N[5,5])(Cl)	N[5,5](C[5,5]C[4,5]C[5]H)(C[5]C[5]HH)(O[5]C[4,5])	O[5](C[4,5]C[4,5]C[4,6]Cl)(N[5,5]C[5,5]C[5]){1|C<3>,4|C<4>,4|H<1>}	C[4,5](C[4,5]C[4,6]C[5,5]C)(C[4,6]C[4,6]C[6]H)(O[5]N[5,5])(Cl){4|C<4>,4|H<1>}	N[5,5](C[5,5]C[4,5]C[5]H)(C[5]C[5]HH)(O[5]C[4,5]){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	106.4720	0.000	1	106.4720	0.000	1	106.4720	0.000	1	106.4720	0.000	1	106.4720	0.000	1	106.8430	0.275	2
976	478	542	5:SP3_SP3_SP3	O[5]	C[4,5]	N[5]	4:3:	4:3:2:1:	4:3:2:	C[4,5]-4:N[5]-3:	C[4,5]-4:N[4]-3:O[5]-2:H-1:	C[5]-4:C[6a]-3:O[5]-2:	O[5](C[4,5]C[4,5]N[4]H)(N[5]C[6a]C[5])	C[4,5](C[4,5]C[4]C[5]H)(N[4]C[4]C)(O[5]N[5])(H)	N[5](C[5]C[4,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[4,5])	O[5](C[4,5]C[4,5]N[4]H)(N[5]C[6a]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[4,5](C[4,5]C[4]C[5]H)(N[4]C[4]C)(O[5]N[5])(H){2|C<3>,3|H<1>}	N[5](C[5]C[4,5]C[6a]H)(C[6a]C[6a]2)(O[5]C[4,5]){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	107.2140	0.000	1	107.2140	0.000	1	107.2140	0.000	1	107.2140	0.000	1	107.2140	0.000	1	106.8430	0.275	2
976	478	727	5:SP2_SP2_SP3	O[5]	C[4,5,5]	C[5,6a]	4:3:	4:4:2:4:	3:2:2:	C[4,5,5]-4:C[5,6a]-3:	C[5,5]-4:C[4,5]-4:O[5]-2:C[4]-4:	C[5,6a]-3:O[5]-2:N[6a]-2:	O[5](C[4,5,5]C[4,5]C[5,5]C[4])(C[5,6a]C[5,6a]N[6a])	C[4,5,5](C[5,5]C[5,6a]C[5]H)(C[4,5]C[4]N[5]H)(O[5]C[5,6a])(C[4]C[4]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(O[5]C[4,5,5])(N[6a]C[6a])	O[5](C[4,5,5]C[4,5]C[5,5]C[4])(C[5,6a]C[5,6a]N[6a]){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[4,5,5](C[5,5]C[5,6a]C[5]H)(C[4,5]C[4]N[5]H)(O[5]C[5,6a])(C[4]C[4]HH){1|C<3>,1|N<2>,1|O<1>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(O[5]C[4,5,5])(N[6a]C[6a]){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	107.4620	0.000	1	107.4620	0.000	1	107.4620	0.000	1	107.4620	0.000	1	107.3787	0.084	3	107.5392	0.825	12
976	478	727	5:SP2_SP2_SP3	O[5]	C[4,5,5]	C[5,6a]	4:3:	4:4:3:2:	3:2:3:	C[4,5,5]-4:C[5,6a]-3:	C[4,5,5]-4:C[4,5,5]-4:C[5,5a]-3:O[5]-2:	C[5,6a]-3:O[5]-2:C[6a]-3:	O[5](C[4,5,5]C[4,5,5]2C[5,5a])(C[5,6a]C[5,6a]C[6a])	C[4,5,5](C[4,5,5]C[4,5,5]C[5,6a]Ge[5])2(C[5,5a]C[5,5a]O[5a])(O[5]C[5,6a])	C[5,6a](C[5,6a]C[4,5,5]C[6a])(O[5]C[4,5,5])(C[6a]C[6a]H)	O[5](C[4,5,5]C[4,5,5]2C[5,5a])(C[5,6a]C[5,6a]C[6a]){2|Ge<4>,1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[4,5,5](C[4,5,5]C[4,5,5]C[5,6a]Ge[5])2(C[5,5a]C[5,5a]O[5a])(O[5]C[5,6a]){12|C<3>,1|O<2>}	C[5,6a](C[5,6a]C[4,5,5]C[6a])(O[5]C[4,5,5])(C[6a]C[6a]H){1|Ge<4>,2|C<3>,2|C<4>,2|H<1>}	107.0570	0.000	1	107.0570	0.000	1	107.3370	0.157	2	107.3370	0.157	2	107.3787	0.084	3	107.5392	0.825	12
976	478	727	5:SP2_SP2_SP3	O[5]	C[4,5,5]	C[5,6a]	4:3:	4:4:3:2:	3:2:3:	C[4,5,5]-4:C[5,6a]-3:	C[4,5,5]-4:C[4,5,5]-4:C[5,5a]-3:O[5]-2:	C[5,6a]-3:O[5]-2:C[6a]-3:	O[5](C[4,5,5]C[4,5,5]2C[5,5a])(C[5,6a]C[5,6a]C[6a])	C[4,5,5](C[4,5,5]C[4,5,5]C[5,6a]Si[5])2(C[5,5a]C[5,5a]O[5a])(O[5]C[5,6a])	C[5,6a](C[5,6a]C[4,5,5]C[6a])(O[5]C[4,5,5])(C[6a]C[6a]H)	O[5](C[4,5,5]C[4,5,5]2C[5,5a])(C[5,6a]C[5,6a]C[6a]){2|Si<4>,1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[4,5,5](C[4,5,5]C[4,5,5]C[5,6a]Si[5])2(C[5,5a]C[5,5a]O[5a])(O[5]C[5,6a]){12|C<3>,1|O<2>}	C[5,6a](C[5,6a]C[4,5,5]C[6a])(O[5]C[4,5,5])(C[6a]C[6a]H){1|Si<4>,2|C<3>,2|C<4>,2|H<1>}	107.6170	0.000	1	107.6170	0.000	1	107.3370	0.157	2	107.3370	0.157	2	107.3787	0.084	3	107.5392	0.825	12
976	478	727	5:SP2_SP2_SP3	O[5]	C[4,5,6]	C[5,6a]	4:3:	4:3:2:4:	3:2:3:	C[4,5,6]-4:C[5,6a]-3:	C[4,5,6]-4:C[6,6a]-3:O[5]-2:C[4]-4:	C[5,6a]-3:O[5]-2:C[6a]-3:	O[5](C[4,5,6]C[4,5,6]C[6,6a]C[4])(C[5,6a]C[5,6a]C[6a])	C[4,5,6](C[4,5,6]C[5,6a]C[6,6a]C[4])(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6a])(C[4]C[4]CC)	C[5,6a](C[5,6a]C[4,5,6]C[6a,6a])(O[5]C[4,5,6])(C[6a]C[6a]H)	O[5](C[4,5,6]C[4,5,6]C[6,6a]C[4])(C[5,6a]C[5,6a]C[6a]){1|H<1>,3|C<4>,5|C<3>}	C[4,5,6](C[4,5,6]C[5,6a]C[6,6a]C[4])(C[6,6a]C[6,6a]C[6a])(O[5]C[5,6a])(C[4]C[4]CC){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[4,5,6]C[6a,6a])(O[5]C[4,5,6])(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	107.2270	0.000	1	107.2270	0.000	1	107.2270	0.000	1	106.1615	2.271	2	106.1615	2.271	2	107.5392	0.825	12
976	478	727	5:SP2_SP2_SP3	O[5]	C[4,5,6]	C[5,6a]	4:3:	4:3:2:4:	3:2:3:	C[4,5,6]-4:C[5,6a]-3:	C[4,6]-4:N[5,6]-3:O[5]-2:C[4]-4:	C[5,6a]-3:O[5]-2:C[6a]-3:	O[5](C[4,5,6]C[4,6]N[5,6]C[4])(C[5,6a]C[5,6a]C[6a])	C[4,5,6](C[4,6]C[6,6a]C[4]H)(N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[4]C[4]HH)	C[5,6a](C[5,6a]N[5,6]C[6a])(O[5]C[4,5,6])(C[6a]C[6a]H)	O[5](C[4,5,6]C[4,6]N[5,6]C[4])(C[5,6a]C[5,6a]C[6a]){1|C<4>,4|C<3>,4|H<1>}	C[4,5,6](C[4,6]C[6,6a]C[4]H)(N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[4]C[4]HH){1|C<2>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(O[5]C[4,5,6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	105.0960	0.000	1	105.0960	0.000	1	105.0960	0.000	1	106.1615	2.271	2	106.1615	2.271	2	107.5392	0.825	12
976	478	727	5:SP2_SP2_SP3	O[5]	C[4,5]	C[5,6a]	3:4:	4:2:4:4:	3:2:2:	C[5,6a]-3:C[4,5]-4:	C[5]-4:O[5]-2:C[4]-4:C[4]-4:	C[5,6a]-3:N[6a]-2:O[5]-2:	O[5](C[5,6a]C[5,6a]N[6a])(C[4,5]C[4]2C[5])	C[4,5](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[4]C[4]HH)2	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(O[5]C[4,5])	O[5](C[5,6a]C[5,6a]N[6a])(C[4,5]C[4]2C[5]){1|C<4>,2|C<3>,6|H<1>}	C[4,5](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[4]C[4]HH)2{1|C<3>,1|N<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(O[5]C[4,5]){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	107.6930	0.744	2	107.6930	0.553	2	107.6930	0.553	2	107.6930	0.553	2	108.0017	0.212	7	107.5392	0.825	12
976	478	727	5:SP2_SP2_SP3	O[5]	C[4,5]	C[5,6a]	3:4:	4:4:3:2:	3:3:2:	C[5,6a]-3:C[4,5]-4:	C[4,5]-4:C[4,5]-4:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2C[6a])	C[4,5](C[4,5]C[5,6a]C[4,5]H)(C[4,5]C[4,5]C[5]Cl)(C[6a]C[6a]2)(O[5]C[5,6a])	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(O[5]C[4,5])	O[5](C[5,6a]C[5,6a]C[6a])(C[4,5]C[4,5]2C[6a]){1|Cl<1>,1|C<4>,2|H<1>,5|C<3>}	C[4,5](C[4,5]C[5,6a]C[4,5]H)(C[4,5]C[4,5]C[5]Cl)(C[6a]C[6a]2)(O[5]C[5,6a]){1|Cl<1>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(O[5]C[4,5]){2|C<3>,2|C<4>,3|H<1>}	107.9360	0.000	1	107.9360	0.000	1	107.9360	0.000	1	107.9360	0.000	1	108.0017	0.212	7	107.5392	0.825	12
976	478	727	5:SP2_SP2_SP3	O[5]	C[4,5]	C[5,6a]	4:3:	3:4:3:2:	3:3:2:	C[4,5]-4:C[5,6a]-3:	C[4,6]-3:C[4]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](C[4,5]C[4,6]C[4]C[5])(C[5,6a]C[5,6a]C[6a])	C[4,5](C[4,6]C[4,6]C[6])(C[4]C[4,6]HH)(C[5]C[5,6a]N)(O[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[4,5])	O[5](C[4,5]C[4,6]C[4]C[5])(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[4,5](C[4,6]C[4,6]C[6])(C[4]C[4,6]HH)(C[5]C[5,6a]N)(O[5]C[5,6a]){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[4,5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	107.7620	0.000	1	107.7620	0.000	1	108.1390	0.284	2	108.1390	0.284	2	108.0017	0.212	7	107.5392	0.825	12
976	478	727	5:SP2_SP2_SP3	O[5]	C[4,5]	C[5,6a]	4:3:	3:4:3:2:	3:3:2:	C[4,5]-4:C[5,6a]-3:	C[4,6]-3:C[4]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](C[4,5]C[4,6]C[4]C[5])(C[5,6a]C[5,6a]C[6a])	C[4,5](C[4,6]C[4,6]C[6])(C[4]C[4,6]HH)(C[5]C[5,6a]O)(O[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[4,5])	O[5](C[4,5]C[4,6]C[4]C[5])(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[4,5](C[4,6]C[4,6]C[6])(C[4]C[4,6]HH)(C[5]C[5,6a]O)(O[5]C[5,6a]){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[4,5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	108.5160	0.000	1	108.5160	0.000	1	108.1390	0.284	2	108.1390	0.284	2	108.0017	0.212	7	107.5392	0.825	12
976	478	727	5:SP2_SP2_SP3	O[5]	C[4,5]	C[5,6a]	4:3:	4:3:2:2:	3:3:2:	C[4,5]-4:C[5,6a]-3:	C[4,5]-4:C[6a]-3:O[5]-2:O[4]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](C[4,5]C[4,5]C[6a]O[4])(C[5,6a]C[5,6a]C[6a])	C[4,5](C[4,5]C[5,6a]C[4,5]H)(C[6a]C[6a]2)(O[5]C[5,6a])(O[4]C[4,5])	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(O[5]C[4,5])	O[5](C[4,5]C[4,5]C[6a]O[4])(C[5,6a]C[5,6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[4,5](C[4,5]C[5,6a]C[4,5]H)(C[6a]C[6a]2)(O[5]C[5,6a])(O[4]C[4,5]){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[4,5]C[6a])(C[6a]C[6a]H)(O[5]C[4,5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	107.9630	0.000	1	107.9630	0.000	1	107.9630	0.000	1	107.9630	0.000	1	108.0017	0.212	7	107.5392	0.825	12
976	478	727	5:SP2_SP2_SP3	O[5]	C[4,5]	C[5,6a]	4:3:	4:4:3:2:	3:3:2:	C[4,5]-4:C[5,6a]-3:	C[4,6]-4:C[4]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](C[4,5]C[4,6]C[4]C[5])(C[5,6a]C[5,6a]C[6a])	C[4,5](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]HH)(C[5]C[5,6a]O)(O[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[4,5])	O[5](C[4,5]C[4,6]C[4]C[5])(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[4,5](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]HH)(C[5]C[5,6a]O)(O[5]C[5,6a]){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[4,5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.4490	0.000	1	108.4490	0.000	1	108.4490	0.000	1	108.4490	0.000	1	108.0017	0.212	7	107.5392	0.825	12
976	478	818	5:SP2_SP2_SP3	O[5]	C[4,5,5]	C[5]	4:3:	4:4:4:2:	2:3:1:	C[4,5,5]-4:C[5]-3:	C[4,5]-4:C[4,5]-4:C[5]-4:O[5]-2:	O[5]-2:C[5]-3:H-1:	O[5](C[4,5,5]C[4,5]2C[5])(C[5]C[5]H)	C[4,5,5](C[4,5]C[4]C[5]H)2(C[5]C[5]HH)(O[5]C[5])	C[5](O[5]C[4,5,5])(C[5]C[4,5]H)(H)	O[5](C[4,5,5]C[4,5]2C[5])(C[5]C[5]H){3|C<4>,5|H<1>}	C[4,5,5](C[4,5]C[4]C[5]H)2(C[5]C[5]HH)(O[5]C[5]){1|C<3>,7|H<1>}	C[5](O[5]C[4,5,5])(C[5]C[4,5]H)(H){1|H<1>,3|C<4>}	105.7600	0.000	1	105.7600	0.000	1	105.7600	0.000	1	105.7600	0.000	1	105.2460	0.528	2	107.6025	6.253	41
976	478	818	5:SP2_SP2_SP3	O[5]	C[4,5,5]	C[5]	4:3:	4:4:4:2:	2:3:2:	C[4,5,5]-4:C[5]-3:	C[4,5]-4:C[4,5]-4:C[5]-4:O[5]-2:	O[5]-2:C[6a]-3:N[5]-2:	O[5](C[4,5,5]C[4,5]2C[5])(C[5]C[6a]N[5])	C[4,5,5](C[4,5]C[4]C[5]H)(C[4,5]C[4]N[5]H)(C[5]N[5]HH)(O[5]C[5])	C[5](O[5]C[4,5,5])(C[6a]C[6a]2)(N[5]C[4,5])	O[5](C[4,5,5]C[4,5]2C[5])(C[5]C[6a]N[5]){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[4,5,5](C[4,5]C[4]C[5]H)(C[4,5]C[4]N[5]H)(C[5]N[5]HH)(O[5]C[5]){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[5](O[5]C[4,5,5])(C[6a]C[6a]2)(N[5]C[4,5]){2|C<3>,3|C<4>,3|H<1>}	104.7320	0.000	1	104.7320	0.000	1	104.7320	0.000	1	104.7320	0.000	1	105.2460	0.528	2	107.6025	6.253	41
976	478	818	5:SP2_SP2_SP3	O[5]	C[4,5,6,6]	C[5]	4:3:	4:4:3:2:	2:3:1:	C[4,5,6,6]-4:C[5]-3:	C[4,5,6,6]-4:C[4,6,6]-4:C[5,6,6]-3:O[5]-2:	O[5]-2:C[5]-3:O-1:	O[5](C[4,5,6,6]C[4,5,6,6]C[4,6,6]C[5,6,6])(C[5]C[5]O)	C[4,5,6,6](C[4,5,6,6]C[4,6,6]C[5,6,6]O[5])(C[4,6,6]C[4,6,6]O[6,6]H)(C[5,6,6]C[4,6,6]C[5])(O[5]C[5])	C[5](O[5]C[4,5,6,6])(C[5]C[5,6,6]C)(O)	O[5](C[4,5,6,6]C[4,5,6,6]C[4,6,6]C[5,6,6])(C[5]C[5]O){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[4,5,6,6](C[4,5,6,6]C[4,6,6]C[5,6,6]O[5])(C[4,6,6]C[4,6,6]O[6,6]H)(C[5,6,6]C[4,6,6]C[5])(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](O[5]C[4,5,6,6])(C[5]C[5,6,6]C)(O){3|C<4>}	107.8100	0.100	2	107.8100	0.010	2	107.8100	0.010	2	107.8100	0.010	2	107.8100	0.010	2	107.6025	6.253	41
976	478	818	5:SP2_SP2_SP3	O[5]	C[4,5,6]	C[5]	4:3:	4:3:4:2:	3:2:3:	C[4,5,6]-4:C[5]-3:	C[4,5,6]-4:C[6]-3:C[4]-4:O[5]-2:	C[5]-3:O[5]-2:C[6a]-3:	O[5](C[4,5,6]C[4,5,6]C[4]C[6])(C[5]C[6a]C[5])	C[4,5,6](C[4,5,6]C[4]C[5]C[6])(C[6]C[3,6]O)(C[4]C[4]HH)(O[5]C[5])	C[5](C[5]C[4,5,6]C[6a])(O[5]C[4,5,6])(C[6a]C[6a]2)	O[5](C[4,5,6]C[4,5,6]C[4]C[6])(C[5]C[6a]C[5]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[4,5,6](C[4,5,6]C[4]C[5]C[6])(C[6]C[3,6]O)(C[4]C[4]HH)(O[5]C[5]){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[4,5,6]C[6a])(O[5]C[4,5,6])(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	107.8380	0.000	1	107.8380	0.000	1	107.8380	0.000	1	107.8380	0.000	1	107.9156	1.697	5	107.6025	6.253	41
976	478	818	5:SP2_SP2_SP3	O[5]	C[4,5,6]	C[5]	4:3:	4:4:3:2:	2:3:1:	C[4,5,6]-4:C[5]-3:	C[4,5,6]-4:C[4,6]-4:C[5,6]-3:O[5]-2:	O[5]-2:C[5]-3:O-1:	O[5](C[4,5,6]C[4,5,6]C[4,6]C[5,6])(C[5]C[5]O)	C[4,5,6](C[4,5,6]C[4,6]C[5,6]O[5])(C[4,6]C[4,6]C[5,6]H)(C[5,6]C[5]C[6])(O[5]C[5])	C[5](O[5]C[4,5,6])(C[5]C[5,6]C)(O)	O[5](C[4,5,6]C[4,5,6]C[4,6]C[5,6])(C[5]C[5]O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[4,5,6](C[4,5,6]C[4,6]C[5,6]O[5])(C[4,6]C[4,6]C[5,6]H)(C[5,6]C[5]C[6])(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>,6|C<4>}	C[5](O[5]C[4,5,6])(C[5]C[5,6]C)(O){3|C<4>}	109.1905	0.292	2	109.1905	0.085	2	109.1905	0.085	2	109.1905	0.085	2	107.9156	1.697	5	107.6025	6.253	41
976	478	818	5:SP2_SP2_SP3	O[5]	C[4,5,6]	C[5]	4:3:	4:4:3:2:	3:2:4:	C[4,5,6]-4:C[5]-3:	C[4,5,6]-4:C[3,4]-4:C[6]-3:O[5]-2:	C[5]-3:O[5]-2:C-4:	O[5](C[4,5,6]C[4,5,6]C[3,4]C[6])(C[5]C[5]C)	C[4,5,6](C[4,5,6]C[3,4]C[5]C[6])(C[3,4]C[3,4]C[3]2)(C[6]C[6,6a]O)(O[5]C[5])	C[5](C[5]C[4,5,6]C)(O[5]C[4,5,6])(CH3)	O[5](C[4,5,6]C[4,5,6]C[3,4]C[6])(C[5]C[5]C){1|O<1>,3|C<3>,3|C<4>}	C[4,5,6](C[4,5,6]C[3,4]C[5]C[6])(C[3,4]C[3,4]C[3]2)(C[6]C[6,6a]O)(O[5]C[5]){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[5](C[5]C[4,5,6]C)(O[5]C[4,5,6])(CH3){2|C<3>,2|C<4>}	107.1200	0.000	1	107.1200	0.000	1	107.1200	0.000	1	107.1200	0.000	1	107.9156	1.697	5	107.6025	6.253	41
976	478	818	5:SP2_SP2_SP3	O[5]	C[4,5,6]	C[5]	4:3:	4:4:4:2:	3:3:2:	C[4,5,6]-4:C[5]-3:	C[4,5,6]-4:C[6]-4:C[4]-4:O[5]-2:	C[5]-3:C[5a]-3:O[5]-2:	O[5](C[4,5,6]C[4,5,6]C[4]C[6])(C[5]C[5a]C[5])	C[4,5,6](C[4,5,6]C[4]C[5]O[6])(C[6]C[5,6]C[6a]H)(C[4]C[4]HH)(O[5]C[5])	C[5](C[5]C[4,5,6]C[6a])(C[5a]C[5a]S[5a])(O[5]C[4,5,6])	O[5](C[4,5,6]C[4,5,6]C[4]C[6])(C[5]C[5a]C[5]){1|C<4>,1|O<2>,1|S<2>,3|H<1>,4|C<3>}	C[4,5,6](C[4,5,6]C[4]C[5]O[6])(C[6]C[5,6]C[6a]H)(C[4]C[4]HH)(O[5]C[5]){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5]C[4,5,6]C[6a])(C[5a]C[5a]S[5a])(O[5]C[4,5,6]){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	106.2390	0.000	1	106.2390	0.000	1	106.2390	0.000	1	106.2390	0.000	1	107.9156	1.697	5	107.6025	6.253	41
976	478	818	5:SP2_SP2_SP3	O[5]	C[4,5]	C[5,6]	4:3:	4:3:3:2:	3:3:2:	C[4,5]-4:C[5,6]-3:	C[4,5]-4:C[4]-3:C[6a]-3:O[5]-2:	C[5,6]-3:C[6]-3:O[5]-2:	O[5](C[4,5]C[4,5]C[6a]C[4])(C[5,6]C[5,6]C[6])	C[4,5](C[4,5]C[5,6]C[6a]C[4])(C[4]C[6a]C[4])(C[6a]C[6a]2)(O[5]C[5,6])	C[5,6](C[5,6]C[4,5]C[6])(C[6]C[6,6a]O)(O[5]C[4,5])	O[5](C[4,5]C[4,5]C[6a]C[4])(C[5,6]C[5,6]C[6]){1|O<1>,7|C<3>}	C[4,5](C[4,5]C[5,6]C[6a]C[4])(C[4]C[6a]C[4])(C[6a]C[6a]2)(O[5]C[5,6]){2|H<1>,9|C<3>}	C[5,6](C[5,6]C[4,5]C[6])(C[6]C[6,6a]O)(O[5]C[4,5]){1|O<1>,6|C<3>}	106.7240	0.000	1	106.7240	0.000	1	106.7240	0.000	1	106.7240	0.000	1	106.7240	0.000	1	107.6025	6.253	41
976	478	818	5:SP2_SP2_SP3	O[5]	C[4,5]	C[5]	4:3:	3:3:4:2:	3:2:1:	C[4,5]-4:C[5]-3:	C[4,6a]-3:C[5,6a]-3:C[4]-4:O[5]-2:	C[5,6a]-3:O[5]-2:O-1:	O[5](C[4,5]C[4,6a]C[5,6a]C[4])(C[5]C[5,6a]O)	C[4,5](C[4,6a]C[4,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[4]C[4,6a]CC)(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[4,5])(O)	O[5](C[4,5]C[4,6a]C[5,6a]C[4])(C[5]C[5,6a]O){2|C<4>,4|C<3>}	C[4,5](C[4,6a]C[4,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[4]C[4,6a]CC)(O[5]C[5]){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[4,5])(O){1|C<4>,1|H<1>,3|C<3>}	111.2040	0.000	1	111.2040	0.000	1	111.2040	0.000	1	111.2040	0.000	1	107.7190	7.664	31	107.6025	6.253	41
976	478	818	5:SP2_SP2_SP3	O[5]	C[4,5]	C[5]	4:3:	4:2:2:1:	2:2:4:	C[4,5]-4:C[5]-3:	C[4,5]-4:O[4]-2:O[5]-2:H-1:	N[5]-2:O[5]-2:C-4:	O[5](C[4,5]C[4,5]O[4]H)(C[5]N[5]C)	C[4,5](C[4,5]C[4,5]C[6a]N[5])(O[4]C[4,5])(O[5]C[5])(H)	C[5](N[5]C[4,5])(O[5]C[4,5])(CH3)	O[5](C[4,5]C[4,5]O[4]H)(C[5]N[5]C){1|C<3>,1|C<4>}	C[4,5](C[4,5]C[4,5]C[6a]N[5])(O[4]C[4,5])(O[5]C[5])(H){1|C<4>,4|C<3>}	C[5](N[5]C[4,5])(O[5]C[4,5])(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	105.7510	0.000	1	105.7510	0.000	1	105.7510	0.000	1	105.7510	0.000	1	107.7190	7.664	31	107.6025	6.253	41
976	478	818	5:SP2_SP2_SP3	O[5]	C[4,5]	C[5]	4:3:	4:2:2:1:	3:2:1:	C[4,5]-4:C[5]-3:	C[4,5]-4:O[4]-2:O[5]-2:H-1:	C[5]-3:O[5]-2:H-1:	O[5](C[4,5]C[4,5]O[4]H)(C[5]C[5]H)	C[4,5](C[4,5]C[4,5]C[5]H)(O[4]C[4,5])(O[5]C[5])(H)	C[5](C[5]C[4,5]H)(O[5]C[4,5])(H)	O[5](C[4,5]C[4,5]O[4]H)(C[5]C[5]H){1|C<4>,2|H<1>}	C[4,5](C[4,5]C[4,5]C[5]H)(O[4]C[4,5])(O[5]C[5])(H){2|C<3>,2|H<1>}	C[5](C[5]C[4,5]H)(O[5]C[4,5])(H){1|C<4>,1|O<2>,2|H<1>}	105.1640	0.000	1	105.1640	0.000	1	105.1640	0.000	1	105.1640	0.000	1	107.7190	7.664	31	107.6025	6.253	41
976	478	818	5:SP2_SP2_SP3	O[5]	C[4,5]	C[5]	4:3:	4:2:2:2:	2:2:4:	C[4,5]-4:C[5]-3:	C[4,5]-4:O[4]-2:O[5]-2:O-2:	N[5]-2:O[5]-2:C-4:	O[5](C[4,5]C[4,5]O[4]O)(C[5]N[5]C)	C[4,5](C[4,5]C[4,6]N[5]C)(O[4]C[4,6])(O[5]C[5])(OC)	C[5](N[5]C[4,5])(O[5]C[4,5])(CH3)	O[5](C[4,5]C[4,5]O[4]O)(C[5]N[5]C){2|C<4>}	C[4,5](C[4,5]C[4,6]N[5]C)(O[4]C[4,6])(O[5]C[5])(OC){1|C<4>,2|C<3>}	C[5](N[5]C[4,5])(O[5]C[4,5])(CH3){2|C<4>,2|O<2>}	105.0408	0.464	4	105.0408	0.216	4	105.0408	0.216	4	105.0408	0.216	4	107.7190	7.664	31	107.6025	6.253	41
976	478	818	5:SP2_SP2_SP3	O[5]	C[4,5]	C[5]	4:3:	4:2:2:2:	3:2:2:	C[4,5]-4:C[5]-3:	C[4,5]-4:O[4]-2:O[5]-2:O-2:	C[6a]-3:N[5]-2:O[5]-2:	O[5](C[4,5]C[4,5]O[4]O)(C[5]C[6a]N[5])	C[4,5](C[4,5]C[4,6]N[5]C)(O[4]C[4,6])(O[5]C[5])(OC)	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[4,5])	O[5](C[4,5]C[4,5]O[4]O)(C[5]C[6a]N[5]){2|C<3>,2|C<4>}	C[4,5](C[4,5]C[4,6]N[5]C)(O[4]C[4,6])(O[5]C[5])(OC){3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[4,5]){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	104.6890	0.000	1	104.6890	0.000	1	104.6890	0.000	1	104.6890	0.000	1	107.7190	7.664	31	107.6025	6.253	41
976	478	818	5:SP2_SP2_SP3	O[5]	C[4,5]	C[5]	4:3:	4:2:2:4:	3:2:1:	C[4,5]-4:C[5]-3:	C[4,5]-4:O[4]-2:O[5]-2:C-4:	C[5]-3:O[5]-2:H-1:	O[5](C[4,5]C[4,5]O[4]C)(C[5]C[5]H)	C[4,5](C[4,5]C[4]C[5]H)(O[4]C[4])(O[5]C[5])(CHHO)	C[5](C[5]C[4,5]H)(O[5]C[4,5])(H)	O[5](C[4,5]C[4,5]O[4]C)(C[5]C[5]H){1|C<4>,2|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(O[4]C[4])(O[5]C[5])(CHHO){2|C<3>,2|H<1>}	C[5](C[5]C[4,5]H)(O[5]C[4,5])(H){1|H<1>,1|O<2>,2|C<4>}	106.0485	0.039	2	106.0485	0.002	2	106.0485	0.002	2	106.0485	0.002	2	107.7190	7.664	31	107.6025	6.253	41
976	478	818	5:SP2_SP2_SP3	O[5]	C[4,5]	C[5]	4:3:	4:3:2:1:	3:2:1:	C[4,5]-4:C[5]-3:	C[4,5]-4:N[4,5]-3:O[5]-2:H-1:	C[5]-3:O[5]-2:H-1:	O[5](C[4,5]C[4,5]N[4,5]H)(C[5]C[5]H)	C[4,5](C[4,5]C[4,5]C[5]H)(N[4,5]C[4,5]O[5])(O[5]C[5])(H)	C[5](C[5]C[4,5]H)(O[5]C[4,5])(H)	O[5](C[4,5]C[4,5]N[4,5]H)(C[5]C[5]H){1|C<4>,1|O<2>,2|H<1>}	C[4,5](C[4,5]C[4,5]C[5]H)(N[4,5]C[4,5]O[5])(O[5]C[5])(H){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[4,5]H)(O[5]C[4,5])(H){1|C<4>,1|N<3>,2|H<1>}	104.6100	0.000	1	104.6100	0.000	1	104.6100	0.000	1	104.6100	0.000	1	107.7190	7.664	31	107.6025	6.253	41
976	478	818	5:SP2_SP2_SP3	O[5]	C[4,5]	C[5]	4:3:	4:3:2:1:	4:2:1:	C[4,5]-4:C[5]-3:	C[4,5,6]-4:C[4]-3:O[5]-2:H-1:	C[5,6]-4:O[5]-2:O-1:	O[5](C[4,5]C[4,5,6]C[4]H)(C[5]C[5,6]O)	C[4,5](C[4,5,6]C[4,6]C[5,6]C)(C[4]C[4,6]O)(O[5]C[5])(H)	C[5](C[5,6]C[4,5,6]C[6]H)(O[5]C[4,5])(O)	O[5](C[4,5]C[4,5,6]C[4]H)(C[5]C[5,6]O){1|H<1>,1|O<1>,3|C<4>}	C[4,5](C[4,5,6]C[4,6]C[5,6]C)(C[4]C[4,6]O)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]C[4,5,6]C[6]H)(O[5]C[4,5])(O){2|C<3>,2|H<1>,3|C<4>}	111.0600	0.000	1	111.0600	0.000	1	111.2440	0.068	2	111.2440	0.068	2	107.7190	7.664	31	107.6025	6.253	41
976	478	818	5:SP2_SP2_SP3	O[5]	C[4,5]	C[5]	4:3:	4:3:2:1:	4:2:1:	C[4,5]-4:C[5]-3:	C[4,5,6]-4:C[4]-3:O[5]-2:H-1:	C[5,6]-4:O[5]-2:O-1:	O[5](C[4,5]C[4,5,6]C[4]H)(C[5]C[5,6]O)	C[4,5](C[4,5,6]C[4,6]C[5,6]H)(C[4]C[4,6]O)(O[5]C[5])(H)	C[5](C[5,6]C[4,5,6]C[6]H)(O[5]C[4,5])(O)	O[5](C[4,5]C[4,5,6]C[4]H)(C[5]C[5,6]O){1|O<1>,2|C<4>,2|H<1>}	C[4,5](C[4,5,6]C[4,6]C[5,6]H)(C[4]C[4,6]O)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]C[4,5,6]C[6]H)(O[5]C[4,5])(O){2|C<3>,2|C<4>,3|H<1>}	111.4280	0.000	1	111.4280	0.000	1	111.2440	0.068	2	111.2440	0.068	2	107.7190	7.664	31	107.6025	6.253	41
976	478	818	5:SP2_SP2_SP3	O[5]	C[4,5]	C[5]	4:3:	4:3:2:2:	2:3:1:	C[4,5]-4:C[5]-3:	C[4,5]-4:C[5]-3:O[4]-2:O[5]-2:	O[5]-2:C[5]-3:O-1:	O[5](C[4,5]C[4,5]C[5]O[4])(C[5]C[5]O)	C[4,5](C[4,5]C[5,6a]2Ge[4])(C[5]C[5]H)(O[4]Ge[4])(O[5]C[5])	C[5](O[5]C[4,5])(C[5]C[5]H)(O)	O[5](C[4,5]C[4,5]C[5]O[4])(C[5]C[5]O){1|Ge<4>,2|C<3>,2|H<1>}	C[4,5](C[4,5]C[5,6a]2Ge[4])(C[5]C[5]H)(O[4]Ge[4])(O[5]C[5]){1|H<1>,1|O<1>,6|C<3>}	C[5](O[5]C[4,5])(C[5]C[5]H)(O){1|C<4>,1|H<1>,1|O<2>}	110.0490	0.000	1	110.0490	0.000	1	110.0490	0.000	1	109.0850	0.704	3	107.7190	7.664	31	107.6025	6.253	41
976	478	818	5:SP2_SP2_SP3	O[5]	C[4,5]	C[5]	4:3:	4:3:2:2:	2:3:1:	C[4,5]-4:C[5]-3:	C[4]-4:C[5]-3:O[4]-2:O[5]-2:	O[5]-2:C[5]-3:O-1:	O[5](C[4,5]C[4]C[5]O[4])(C[5]C[5]O)	C[4,5](C[4]C[4]HO)(C[5]C[5]H)(O[4]C[4])(O[5]C[5])	C[5](O[5]C[4,5])(C[5]C[5]H)(O)	O[5](C[4,5]C[4]C[5]O[4])(C[5]C[5]O){1|C<4>,1|O<2>,3|H<1>}	C[4,5](C[4]C[4]HO)(C[5]C[5]H)(O[4]C[4])(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>}	C[5](O[5]C[4,5])(C[5]C[5]H)(O){1|C<4>,1|H<1>,1|O<2>}	108.6030	0.115	2	108.6030	0.013	2	108.6030	0.013	2	109.0850	0.704	3	107.7190	7.664	31	107.6025	6.253	41
976	478	818	5:SP2_SP2_SP3	O[5]	C[4,5]	C[5]	4:3:	4:3:2:2:	3:2:2:	C[4,5]-4:C[5]-3:	C[4,5]-4:C[6a]-3:O[4]-2:O[5]-2:	C[6a]-3:N[5]-2:O[5]-2:	O[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[6a]N[5])	C[4,5](C[4,5]C[4,5]N[5]H)(C[6a]C[6a]2)(O[4]C[4,5])(O[5]C[5])	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[4,5])	O[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[6a]N[5]){1|C<4>,1|H<1>,4|C<3>}	C[4,5](C[4,5]C[4,5]N[5]H)(C[6a]C[6a]2)(O[4]C[4,5])(O[5]C[5]){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[4,5]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	106.3610	0.168	2	106.3610	0.028	2	106.3093	0.022	3	106.3093	0.022	3	107.7190	7.664	31	107.6025	6.253	41
976	478	818	5:SP2_SP2_SP3	O[5]	C[4,5]	C[5]	4:3:	4:3:2:2:	3:2:2:	C[4,5]-4:C[5]-3:	C[4,5]-4:C[6a]-3:O[4]-2:O[5]-2:	C[6a]-3:N[5]-2:O[5]-2:	O[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[6a]N[5])	C[4,5](C[4,5]C[4,6]N[5]H)(C[6a]C[6a]2)(O[4]C[4,6])(O[5]C[5])	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[4,5])	O[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[6a]N[5]){1|C<4>,1|H<1>,4|C<3>}	C[4,5](C[4,5]C[4,6]N[5]H)(C[6a]C[6a]2)(O[4]C[4,6])(O[5]C[5]){2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[4,5]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	106.2060	0.000	1	106.2060	0.000	1	106.3093	0.022	3	106.3093	0.022	3	107.7190	7.664	31	107.6025	6.253	41
976	478	818	5:SP2_SP2_SP3	O[5]	C[4,5]	C[5]	4:3:	4:3:3:2:	3:2:1:	C[4,5]-4:C[5]-3:	C[4,5]-4:C[5,6a]-3:C[4]-3:O[5]-2:	C[5,6a]-3:O[5]-2:O-1:	O[5](C[4,5]C[5,6a]C[4,5]C[4])(C[5]C[5,6a]O)	C[4,5](C[4,5]C[5,6a]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(C[4]C[4]C)(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[4,5])(O)	O[5](C[4,5]C[5,6a]C[4,5]C[4])(C[5]C[5,6a]O){1|O<2>,5|C<3>}	C[4,5](C[4,5]C[5,6a]C[4]O[5])(C[5,6a]C[5,6a]C[6a])(C[4]C[4]C)(O[5]C[5]){1|H<1>,1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[4,5])(O){1|C<4>,1|H<1>,3|C<3>}	110.3900	0.000	1	110.3900	0.000	1	110.3900	0.000	1	107.9945	11.477	2	107.7190	7.664	31	107.6025	6.253	41
976	478	818	5:SP2_SP2_SP3	O[5]	C[4,5]	C[5]	4:3:	4:3:3:2:	3:2:1:	C[4,5]-4:C[5]-3:	C[4,5]-4:C[6a]-3:C[4]-3:O[5]-2:	C[5]-3:O[5]-2:H-1:	O[5](C[4,5]C[4,5]C[6a]C[4])(C[5]C[5]H)	C[4,5](C[4,5]C[5]N[4]H)(C[6a]C[6a]2)(C[4]N[4]O)(O[5]C[5])	C[5](C[5]C[4,5]H)(O[5]C[4,5])(H)	O[5](C[4,5]C[4,5]C[6a]C[4])(C[5]C[5]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[4,5](C[4,5]C[5]N[4]H)(C[6a]C[6a]2)(C[4]N[4]O)(O[5]C[5]){3|C<3>,4|H<1>}	C[5](C[5]C[4,5]H)(O[5]C[4,5])(H){1|H<1>,1|N<3>,2|C<3>}	105.5990	0.000	1	105.5990	0.000	1	105.5990	0.000	1	107.9945	11.477	2	107.7190	7.664	31	107.6025	6.253	41
976	478	818	5:SP2_SP2_SP3	O[5]	C[4,5]	C[5]	4:3:	4:3:4:2:	3:2:1:	C[4,5]-4:C[5]-3:	C[4,5]-4:C[5,6]-3:C[4]-4:O[5]-2:	C[5,6]-3:O[5]-2:O-1:	O[5](C[4,5]C[4,5]C[5,6]C[4])(C[5]C[5,6]O)	C[4,5](C[4,5]C[5,6]C[4]O[5])(C[5,6]C[5,6]C[6])(C[4]C[4]CH)(O[5]C[5])	C[5](C[5,6]C[4,6]C[5,6])(O[5]C[4,5])(O)	O[5](C[4,5]C[4,5]C[5,6]C[4])(C[5]C[5,6]O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[4,5](C[4,5]C[5,6]C[4]O[5])(C[5,6]C[5,6]C[6])(C[4]C[4]CH)(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5](C[5,6]C[4,6]C[5,6])(O[5]C[4,5])(O){1|H<1>,5|C<4>}	109.1570	0.000	1	109.1570	0.000	1	109.2765	0.029	2	109.2765	0.029	2	107.7190	7.664	31	107.6025	6.253	41
976	478	818	5:SP2_SP2_SP3	O[5]	C[4,5]	C[5]	4:3:	4:3:4:2:	3:2:1:	C[4,5]-4:C[5]-3:	C[4,5]-4:C[5,6]-3:C[4]-4:O[5]-2:	C[5,6]-3:O[5]-2:O-1:	O[5](C[4,5]C[4,5]C[5,6]C[4])(C[5]C[5,6]O)	C[4,5](C[4,5]C[5,6]C[4]O[5])(C[5,6]C[5,6]C[6])(C[4]C[4]CH)(O[5]C[5])	C[5](C[5,6]C[5,6]C[6])(O[5]C[4,5])(O)	O[5](C[4,5]C[4,5]C[5,6]C[4])(C[5]C[5,6]O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[4,5](C[4,5]C[5,6]C[4]O[5])(C[5,6]C[5,6]C[6])(C[4]C[4]CH)(O[5]C[5]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[4,5])(O){1|C<3>,1|H<1>,3|C<4>}	109.3960	0.000	1	109.3960	0.000	1	109.2765	0.029	2	109.2765	0.029	2	107.7190	7.664	31	107.6025	6.253	41
976	478	818	5:SP2_SP2_SP3	O[5]	C[4,5]	C[5]	4:3:	4:4:2:1:	3:2:1:	C[4,5]-4:C[5]-3:	C[4,6]-4:C[4,5]-4:O[5]-2:H-1:	C[5]-3:O[5]-2:H-1:	O[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]H)	C[4,5](C[4,6]C[6,6a]C[4,6]H)(C[4,5]C[4,6]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[4,5]H)(O[5]C[4,5])(H)	O[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	C[4,5](C[4,6]C[6,6a]C[4,6]H)(C[4,5]C[4,6]C[5]H)(O[5]C[5])(H){1|C<2>,2|H<1>,3|C<3>}	C[5](C[5]C[4,5]H)(O[5]C[4,5])(H){2|C<4>,2|H<1>}	103.6875	0.551	2	103.6875	0.303	2	103.6875	0.303	2	103.6875	0.303	2	107.7190	7.664	31	107.6025	6.253	41
976	478	818	5:SP2_SP2_SP3	O[5]	C[4,5]	C[5]	4:3:	4:4:2:1:	4:2:1:	C[4,5]-4:C[5]-3:	C[4,5]-4:C[4]-4:O[5]-2:H-1:	C[5]-4:O[5]-2:O-1:	O[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]O)	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HO)(O[5]C[5])(H)	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(O)	O[5](C[4,5]C[4,5]C[4]H)(C[5]C[5]O){1|C<4>,1|O<2>,4|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HO)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(O){2|C<4>,2|H<1>}	111.5250	0.000	1	111.5250	0.000	1	111.5250	0.000	1	111.5250	0.000	1	107.7190	7.664	31	107.6025	6.253	41
976	478	818	5:SP2_SP2_SP3	O[5]	C[4,5]	C[5]	4:3:	4:4:2:4:	4:2:1:	C[4,5]-4:C[5]-3:	C[4,5]-4:C[4]-4:O[5]-2:C-4:	C[5]-4:O[5]-2:O-1:	O[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]O)	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CC)(O[5]C[5])(CCHO)	C[5](C[5]C[4,5]CH)(O[5]C[4,5])(O)	O[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]O){2|H<1>,4|C<4>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]CC)(O[5]C[5])(CCHO){1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[4,5]CH)(O[5]C[4,5])(O){1|H<1>,3|C<4>}	111.5670	0.453	2	111.5670	0.205	2	111.2847	0.342	3	111.2847	0.342	3	107.7190	7.664	31	107.6025	6.253	41
976	478	818	5:SP2_SP2_SP3	O[5]	C[4,5]	C[5]	4:3:	4:4:2:4:	4:2:1:	C[4,5]-4:C[5]-3:	C[4,5]-4:C[4]-4:O[5]-2:C-4:	C[5]-4:O[5]-2:O-1:	O[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]O)	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HO)(O[5]C[5])(CHHO)	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(O)	O[5](C[4,5]C[4,5]C[4]C)(C[5]C[5]O){1|C<4>,1|O<2>,4|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HO)(O[5]C[5])(CHHO){1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[4,5]HH)(O[5]C[4,5])(O){1|H<1>,3|C<4>}	110.7200	0.000	1	110.7200	0.000	1	111.2847	0.342	3	111.2847	0.342	3	107.7190	7.664	31	107.6025	6.253	41
976	478	818	5:SP2_SP2_SP3	O[5]	C[4,5]	C[5]	4:3:	4:4:4:2:	3:3:2:	C[4,5]-4:C[5]-3:	C[4,5]-4:C[4]-4:C-4:O[5]-2:	C[5]-3:C[6a]-3:O[5]-2:	O[5](C[4,5]C[4,5]C[4]C)(C[5]C[6a]C[5])	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HH)(CC[6a]HH)(O[5]C[5])	C[5](C[5]C[4,5]C)(C[6a]C[6a]2)(O[5]C[4,5])	O[5](C[4,5]C[4,5]C[4]C)(C[5]C[6a]C[5]){1|C<4>,3|C<3>,3|H<1>}	C[4,5](C[4,5]C[4]C[5]H)(C[4]C[4]HH)(CC[6a]HH)(O[5]C[5]){2|C<3>,2|H<1>}	C[5](C[5]C[4,5]C)(C[6a]C[6a]2)(O[5]C[4,5]){2|C<3>,3|C<4>,3|H<1>}	108.3730	0.000	1	108.3730	0.000	1	108.3730	0.000	1	108.3730	0.000	1	107.7190	7.664	31	107.6025	6.253	41
976	478	818	5:SP2_SP2_SP3	O[5]	C[4,5]	C[5]	4:3:	4:4:4:2:	4:2:1:	C[4,5]-4:C[5]-3:	C[3,5]-4:C[4]-4:C[4]-4:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[4,5]C[3,5]C[4]2)(C[5]C[5]O)	C[4,5](C[3,5]C[3]2C[5])(C[4]C[4]HH)2(O[5]C[5])	C[5](C[5]C[3,5]C[6a]O)(O[5]C[4,5])(O)	O[5](C[4,5]C[3,5]C[4]2)(C[5]C[5]O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[4,5](C[3,5]C[3]2C[5])(C[4]C[4]HH)2(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,6|H<1>}	C[5](C[5]C[3,5]C[6a]O)(O[5]C[4,5])(O){2|C<3>,4|C<4>}	111.2710	0.000	1	111.2710	0.000	1	111.2710	0.000	1	111.2710	0.000	1	107.7190	7.664	31	107.6025	6.253	41
976	478	960	5:SP2_SP2_SP3	O[5]	C[4,5]	N[5]	4:2:	4:4:2:1:	3:2:	C[4,5]-4:N[5]-2:	C[4,5]-4:C[4]-4:O[5]-2:H-1:	C[5]-3:O[5]-2:	O[5](C[4,5]C[4,5]C[4]H)(N[5]C[5])	C[4,5](C[4,5]C[5]S[4]H)(C[4]S[4]CH)(O[5]N[5])(H)	N[5](C[5]C[4,5]C[6a])(O[5]C[4,5])	O[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	C[4,5](C[4,5]C[5]S[4]H)(C[4]S[4]CH)(O[5]N[5])(H){1|C<3>,2|O<1>}	N[5](C[5]C[4,5]C[6a])(O[5]C[4,5]){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	109.9440	0.000	1	109.9440	0.000	1	109.9440	0.000	1	109.9440	0.000	1	109.9440	0.000	1	109.9440	0.000	1
976	486	486	5:SP3_SP3_SP3	O[5]	C[3,5]	C[3,5]	4:4:	4:4:2:4:	4:4:2:4:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[3]-4:O[5]-2:C-4:	C[3,5]-4:C[3]-4:O[5]-2:C-4:	O[5](C[3,5]C[3,5]C[3]C)2	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]C[6a]C)(O[5]C[3,5])(CH3)	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]C[6a]C)(O[5]C[3,5])(CH3)	O[5](C[3,5]C[3,5]C[3]C)2{2|H<1>,4|C<3>}	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]C[6a]C)(O[5]C[3,5])(CH3){1|H<1>,2|C<3>,2|C<4>}	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]C[6a]C)(O[5]C[3,5])(CH3){1|H<1>,2|C<3>,2|C<4>}	108.5090	0.000	1	108.5090	0.000	1	108.5090	0.000	1	108.5090	0.000	1	108.5090	0.000	1	108.5090	0.000	1
976	486	542	5:SP3_SP3_SP3	O[5]	C[3,5]	N[5,5]	3:4:	4:4:4:2:	4:4:2:	N[5,5]-3:C[3,5]-4:	C[5,6]-4:C[3]-4:C[3]-4:O[5]-2:	C[5,5,6]-4:C[5]-4:O[5]-2:	O[5](N[5,5]C[5,5,6]C[5])(C[3,5]C[5,6]C[3]2)	C[3,5](C[5,6]C[5,5,6]C[6]H)(C[3]C[3]HH)2(O[5]N[5,5])	N[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HH)(O[5]C[3,5])	O[5](N[5,5]C[5,5,6]C[5])(C[3,5]C[5,6]C[3]2){3|C<4>,8|H<1>}	C[3,5](C[5,6]C[5,5,6]C[6]H)(C[3]C[3]HH)2(O[5]N[5,5]){1|O<2>,2|C<4>,3|H<1>}	N[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HH)(O[5]C[3,5]){2|O<2>,3|C<4>,3|H<1>}	107.7975	0.877	4	107.7975	0.770	4	107.7975	0.770	4	106.1760	7.135	6	106.1760	7.135	6	106.2581	5.432	8
976	486	542	5:SP3_SP3_SP3	O[5]	C[3,5]	N[5,5]	3:4:	4:4:4:2:	4:4:2:	N[5,5]-3:C[3,5]-4:	C[5]-4:C[3]-4:C[3]-4:O[5]-2:	C[5,5]-4:C[5]-4:O[5]-2:	O[5](N[5,5]C[5,5]C[5])(C[3,5]C[3]2C[5])	C[3,5](C[5]C[5,5]CH)(C[3]C[3]HH)2(O[5]N[5,5])	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[3,5])	O[5](N[5,5]C[5,5]C[5])(C[3,5]C[3]2C[5]){3|C<4>,8|H<1>}	C[3,5](C[5]C[5,5]CH)(C[3]C[3]HH)2(O[5]N[5,5]){1|H<1>,2|C<4>}	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[3,5]){2|O<2>,3|C<4>,3|H<1>}	102.9330	1.348	2	102.9330	1.816	2	102.9330	1.816	2	106.1760	7.135	6	106.1760	7.135	6	106.2581	5.432	8
976	486	542	5:SP3_SP3_SP3	O[5]	C[3,5]	N[5,6]	4:3:	4:4:2:3:	4:4:2:	C[3,5]-4:N[5,6]-3:	C[3,5]-4:C[3]-4:O[5]-2:C-3:	C[5,6]-4:C[6]-4:O[5]-2:	O[5](C[3,5]C[3,5]C[3]C)(N[5,6]C[5,6]C[6])	C[3,5](C[3,5]C[5,6]C[3]C)(C[3]C[3,5]C[5,6]C)(O[5]N[5,6])(COO)	N[5,6](C[5,6]C[6,6a]C[3,5]H)(C[6]C[6a]N[6]H)(O[5]C[3,5])	O[5](C[3,5]C[3,5]C[3]C)(N[5,6]C[5,6]C[6]){1|N<3>,2|H<1>,5|C<3>}	C[3,5](C[3,5]C[5,6]C[3]C)(C[3]C[3,5]C[5,6]C)(O[5]N[5,6])(COO){1|H<1>,2|C<3>,2|C<4>}	N[5,6](C[5,6]C[6,6a]C[3,5]H)(C[6]C[6a]N[6]H)(O[5]C[3,5]){2|C<4>,6|C<3>}	107.5490	0.000	1	107.5490	0.000	1	107.5490	0.000	1	107.5490	0.000	1	107.5490	0.000	1	106.2581	5.432	8
976	486	542	5:SP3_SP3_SP3	O[5]	C[3,5]	N[5]	4:3:	4:4:3:2:	4:2:4:	C[3,5]-4:N[5]-3:	C[3,5]-4:C[3]-4:C[6a]-3:O[5]-2:	C[5]-4:O[5]-2:C-4:	O[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]C)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(O[5]N[5])	N[5](C[5]C[3,5]C[6a]H)(O[5]C[3,5])(CH3)	O[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]C){1|C<4>,2|H<1>,4|C<3>}	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(O[5]N[5]){1|C<4>,3|H<1>,5|C<3>}	N[5](C[5]C[3,5]C[6a]H)(O[5]C[3,5])(CH3){1|C<4>,4|C<3>}	105.4600	0.000	1	105.4600	0.000	1	105.4600	0.000	1	105.4600	0.000	1	105.4600	0.000	1	106.2581	5.432	8
976	486	727	5:SP2_SP2_SP3	O[5]	C[3,5]	C[5,6a]	3:4:	4:4:2:1:	3:3:2:	C[5,6a]-3:C[3,5]-4:	C[3,5]-4:C[3]-4:O[5]-2:H-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)	C[3,5](C[3,5]C[5,6a]C[3]H)(C[3]C[3,5]C[6a]C)(O[5]C[5,6a])(H)	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(O[5]C[3,5])	O[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H){2|H<1>,4|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]H)(C[3]C[3,5]C[6a]C)(O[5]C[5,6a])(H){4|C<3>}	C[5,6a](C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)(O[5]C[3,5]){1|C<3>,1|C<4>,4|H<1>}	106.6030	0.000	1	106.6030	0.000	1	106.6030	0.000	1	106.6030	0.000	1	107.1273	0.212	3	107.1273	0.212	3
976	486	727	5:SP2_SP2_SP3	O[5]	C[3,5]	C[5,6a]	4:3:	4:4:2:2:	3:3:2:	C[3,5]-4:C[5,6a]-3:	C[5,5]-4:C[3]-4:O[5]-2:O[3]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](C[3,5]C[5,5]C[3]O[3])(C[5,6a]C[5,6a]C[6a])	C[3,5](C[5,5]C[5,6a]N[5]O[5])(C[3]C[6a]O[3]H)(O[5]C[5,6a])(O[3]C[3])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[3,5])	O[5](C[3,5]C[5,5]C[3]O[3])(C[5,6a]C[5,6a]C[6a]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[3,5](C[5,5]C[5,6a]N[5]O[5])(C[3]C[6a]O[3]H)(O[5]C[5,6a])(O[3]C[3]){1|C<4>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[3,5]){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	107.3895	0.108	2	107.3895	0.012	2	107.3895	0.012	2	107.3895	0.012	2	107.1273	0.212	3	107.1273	0.212	3
976	486	818	5:SP2_SP2_SP3	O[5]	C[3,5,6]	C[5]	4:3:	4:3:2:2:	2:3:1:	C[3,5,6]-4:C[5]-3:	C[3,6]-4:C[5,6]-3:O[3]-2:O[5]-2:	O[5]-2:C[5]-3:O-1:	O[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]O)	C[3,5,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[3,6]C[5])(O[3]C[3,6])(O[5]C[5])	C[5](O[5]C[3,5,6])(C[5]C[5,6]C)(O)	O[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]O){1|H<1>,3|C<4>}	C[3,5,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[3,6]C[5])(O[3]C[3,6])(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](O[5]C[3,5,6])(C[5]C[5,6]C)(O){1|O<2>,2|C<4>}	107.3620	0.000	1	107.3620	0.000	1	107.3620	0.000	1	107.3620	0.000	1	107.3620	0.000	1	108.3540	2.733	10
976	486	818	5:SP2_SP2_SP3	O[5]	C[3,5]	C[5]	4:3:	4:2:2:1:	4:2:1:	C[3,5]-4:C[5]-3:	C[3,5]-4:O[3]-2:O[5]-2:H-1:	C[5,5]-4:O[5]-2:O-1:	O[5](C[3,5]C[3,5]O[3]H)(C[5]C[5,5]O)	C[3,5](C[3,5]C[5,5]O[3]H)(O[3]C[3,5])(O[5]C[5])(H)	C[5](C[5,5]C[3,5]C[5]2)(O[5]C[3,5])(O)	O[5](C[3,5]C[3,5]O[3]H)(C[5]C[5,5]O){1|H<1>,2|C<4>}	C[3,5](C[3,5]C[5,5]O[3]H)(O[3]C[3,5])(O[5]C[5])(H){1|O<1>,2|C<4>}	C[5](C[5,5]C[3,5]C[5]2)(O[5]C[3,5])(O){2|O<2>,3|C<4>,4|H<1>}	109.3700	0.168	2	109.3700	0.028	2	109.3700	0.028	2	109.3700	0.028	2	108.4642	2.938	9	108.3540	2.733	10
976	486	818	5:SP2_SP2_SP3	O[5]	C[3,5]	C[5]	4:3:	4:3:2:2:	2:3:1:	C[3,5]-4:C[5]-3:	C[3]-4:C[5]-3:O[3]-2:O[5]-2:	O[5]-2:C[5]-3:O-1:	O[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O)	C[3,5](C[3]O[3]CH)(C[5]C[5]H)(O[3]C[3])(O[5]C[5])	C[5](O[5]C[3,5])(C[5]C[5]H)(O)	O[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O){1|C<4>,3|H<1>}	C[3,5](C[3]O[3]CH)(C[5]C[5]H)(O[3]C[3])(O[5]C[5]){1|H<1>,1|O<1>}	C[5](O[5]C[3,5])(C[5]C[5]H)(O){1|C<4>,1|H<1>,1|O<2>}	107.8870	0.000	1	107.8870	0.000	1	107.8870	0.000	1	107.8870	0.000	1	108.4642	2.938	9	108.3540	2.733	10
976	486	818	5:SP2_SP2_SP3	O[5]	C[3,5]	C[5]	4:3:	4:3:3:2:	4:2:1:	C[3,5]-4:C[5]-3:	C[3,5]-4:C[6a]-3:N[3]-3:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[3,5]C[3,5]C[6a]N[3])(C[5]C[5]O)	C[3,5](C[3,5]C[5]N[3]C)(C[6a]C[6a]2)(N[3]C[3,5]H)(O[5]C[5])	C[5](C[5]C[3,5]HH)(O[5]C[3,5])(O)	O[5](C[3,5]C[3,5]C[6a]N[3])(C[5]C[5]O){3|C<3>,3|H<1>}	C[3,5](C[3,5]C[5]N[3]C)(C[6a]C[6a]2)(N[3]C[3,5]H)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[3,5]HH)(O[5]C[3,5])(O){1|N<3>,2|C<3>}	109.5800	0.000	1	109.5800	0.000	1	109.5800	0.000	1	109.5800	0.000	1	108.4642	2.938	9	108.3540	2.733	10
976	486	818	5:SP2_SP2_SP3	O[5]	C[3,5]	C[5]	4:3:	4:4:2:1:	3:2:1:	C[3,5]-4:C[5]-3:	C[3]-4:C[3,5]-4:O[5]-2:H-1:	C[5]-3:O[5]-2:H-1:	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(O[5]C[5])(H)	C[5](C[5]C[3,5]H)(O[5]C[3,5])(H)	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H){2|C<3>,2|H<1>}	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>}	C[5](C[5]C[3,5]H)(O[5]C[3,5])(H){1|C<4>,2|H<1>}	106.3990	0.000	1	106.3990	0.000	1	106.3990	0.000	1	106.3990	0.000	1	108.4642	2.938	9	108.3540	2.733	10
976	486	818	5:SP2_SP2_SP3	O[5]	C[3,5]	C[5]	4:3:	4:4:2:1:	4:2:1:	C[3,5]-4:C[5]-3:	C[3,5,6]-4:C[3,6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:O-1:	O[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5,6]O)	C[3,5](C[3,5,6]C[3,6]C[5,6]C)(C[3,6]C[3,5,6]C[6]H)(O[5]C[5])(H)	C[5](C[5,6]C[3,5,6]C[6]H)(O[5]C[3,5])(O)	O[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5,6]O){1|C<3>,2|C<4>,2|H<1>}	C[3,5](C[3,5,6]C[3,6]C[5,6]C)(C[3,6]C[3,5,6]C[6]H)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]C[3,5,6]C[6]H)(O[5]C[3,5])(O){1|C<3>,2|H<1>,3|C<4>}	109.4950	0.000	1	109.4950	0.000	1	109.6310	0.037	2	109.6310	0.037	2	108.4642	2.938	9	108.3540	2.733	10
976	486	818	5:SP2_SP2_SP3	O[5]	C[3,5]	C[5]	4:3:	4:4:2:1:	4:2:1:	C[3,5]-4:C[5]-3:	C[3,5,6]-4:C[3,6]-4:O[5]-2:H-1:	C[5,6]-4:O[5]-2:O-1:	O[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5,6]O)	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(O[5]C[5])(H)	C[5](C[5,6]C[3,5,6]C[6]H)(O[5]C[3,5])(O)	O[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5,6]O){1|C<3>,1|C<4>,3|H<1>}	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](C[5,6]C[3,5,6]C[6]H)(O[5]C[3,5])(O){1|C<3>,2|C<4>,3|H<1>}	109.7670	0.000	1	109.7670	0.000	1	109.6310	0.037	2	109.6310	0.037	2	108.4642	2.938	9	108.3540	2.733	10
976	486	818	5:SP2_SP2_SP3	O[5]	C[3,5]	C[5]	4:3:	4:4:4:2:	3:2:2:	C[3,5]-4:C[5]-3:	C[3]-4:C[3]-4:C[5]-4:O[5]-2:	C[6a]-3:O[5]-2:N[5]-2:	O[5](C[3,5]C[3]2C[5])(C[5]C[6a]N[5])	C[3,5](C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]HH)(O[5]C[5])	C[5](C[6a]C[6a]2)(O[5]C[3,5])(N[5]C[5])	O[5](C[3,5]C[3]2C[5])(C[5]C[6a]N[5]){4|C<3>,4|H<1>}	C[3,5](C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]HH)(O[5]C[5]){1|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[3,5])(N[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	104.9410	0.000	1	104.9410	0.000	1	104.9410	0.000	1	104.9410	0.000	1	108.4642	2.938	9	108.3540	2.733	10
976	486	818	5:SP2_SP2_SP3	O[5]	C[3,5]	C[5]	4:3:	4:4:4:2:	4:2:1:	C[3,5]-4:C[5]-3:	C[3,5]-4:C[3]-4:C[3]-4:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[3,5]C[3,5]C[3]2)(C[5]C[5]O)	C[3,5](C[3,5]C[3]2C[5])(C[3]C[3]HH)2(O[5]C[5])	C[5](C[5]C[3,5]C[6a]H)(O[5]C[3,5])(O)	O[5](C[3,5]C[3,5]C[3]2)(C[5]C[5]O){1|C<3>,2|C<4>,5|H<1>}	C[3,5](C[3,5]C[3]2C[5])(C[3]C[3]HH)2(O[5]C[5]){1|C<3>,1|O<1>,5|H<1>}	C[5](C[5]C[3,5]C[6a]H)(O[5]C[3,5])(O){2|C<3>,4|C<4>}	109.3690	0.000	1	109.3690	0.000	1	109.3690	0.000	1	109.3690	0.000	1	108.4642	2.938	9	108.3540	2.733	10
976	514	818	5:SP2_SP2_SP3	O[5]	As[5,5]	C[5]	4:3:	2:2:2:2:	4:2:1:	As[5,5]-4:C[5]-3:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](As[5,5]O[5]3)(C[5]C[5]O)	As[5,5](O[5]C[5])4	C[5](C[5]C[5]O[5]H)(O[5]As[5,5])(O)	O[5](As[5,5]O[5]3)(C[5]C[5]O){1|C<3>,1|H<1>,2|C<4>}	As[5,5](O[5]C[5])4{2|C<4>,2|H<1>,2|O<1>}	C[5](C[5]C[5]O[5]H)(O[5]As[5,5])(O){1|C<3>,1|H<1>,3|O<2>}	112.9588	0.713	6	112.9588	0.508	6	112.9588	0.508	6	112.9588	0.508	6	112.9588	0.508	6	112.9588	0.508	6
976	538	727	5:SP2_SP2_SPD5	O[5]	Ge[5,5]	C[5,6a]	3:5:	2:2:2:2:3:	3:3:2:	C[5,6a]-3:Ge[5,5]-5:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(Ge[5,5]C[5]O[5]3)	Ge[5,5](O[5]C[5,6a])4(C[5]N[5]2)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]Ge[5,5])	O[5](C[5,6a]C[5,6a]C[6a])(Ge[5,5]C[5]O[5]3){1|Cl<1>,2|N<3>,4|C<3>}	Ge[5,5](O[5]C[5,6a])4(C[5]N[5]2){8|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]Ge[5,5]){2|Cl<1>,2|C<3>,2|O<2>}	109.5493	0.487	4	109.5493	0.238	4	109.5493	0.238	4	109.5493	0.238	4	109.5493	0.238	4	110.1897	1.637	6
976	538	727	5:SP2_SP2_SPD5	O[5]	Ge[5]	C[5,6a]	3:5:	2:2:3:1:1:	3:3:2:	C[5,6a]-3:Ge[5]-5:	O[5]-2:O[5]-2:C[5]-3:Cl-1:Cl-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(Ge[5]C[5]O[5]Cl2)	Ge[5](O[5]C[5,6a])2(C[5]N[5]2)(Cl)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]Ge[5])	O[5](C[5,6a]C[5,6a]C[6a])(Ge[5]C[5]O[5]Cl2){1|C<4>,2|C<3>,2|N<3>}	Ge[5](O[5]C[5,6a])2(C[5]N[5]2)(Cl)2{2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]Ge[5]){2|Cl<1>,2|C<3>,2|H<1>}	112.6000	0.000	1	112.6000	0.000	1	111.4705	2.552	2	111.4705	2.552	2	111.4705	2.552	2	110.1897	1.637	6
976	538	727	5:SP2_SP2_SPD5	O[5]	Ge[5]	C[5,6a]	3:5:	2:2:3:1:1:	3:3:2:	C[5,6a]-3:Ge[5]-5:	O[5]-2:O[5]-2:C[5]-3:Cl-1:Cl-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(Ge[5]C[5]O[5]Cl2)	Ge[5](O[5]C[5,6a])2(C[5]N[5]2)(Cl)2	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Ge[5])	O[5](C[5,6a]C[5,6a]C[6a])(Ge[5]C[5]O[5]Cl2){1|H<1>,2|C<3>,2|N<3>}	Ge[5](O[5]C[5,6a])2(C[5]N[5]2)(Cl)2{2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Ge[5]){2|Cl<1>,2|C<3>,2|C<4>}	110.3410	0.000	1	110.3410	0.000	1	111.4705	2.552	2	111.4705	2.552	2	111.4705	2.552	2	110.1897	1.637	6
976	538	818	5:SP2_SP2_SPD5	O[5]	Ge[5,5]	C[5]	5:3:	2:2:2:2:4:	2:4:3:	Ge[5,5]-5:C[5]-3:	O[5]-2:O[5]-2:S[5]-2:S[5]-2:C-4:	O[5]-2:C[5]-4:N-3:	O[5](Ge[5,5]O[5]S[5]2C)(C[5]C[5]N)	Ge[5,5](O[5]C[5])2(S[5]C[5])2(CH3)	C[5](O[5]Ge[5,5])(C[5]S[5]HH)(NCC)	O[5](Ge[5,5]O[5]S[5]2C)(C[5]C[5]N){1|C<3>,1|C<4>,2|H<1>}	Ge[5,5](O[5]C[5])2(S[5]C[5])2(CH3){2|N<3>,4|H<1>}	C[5](O[5]Ge[5,5])(C[5]S[5]HH)(NCC){1|C<4>,1|O<2>,1|S<2>}	118.7095	0.336	2	118.7095	0.113	2	118.7095	0.113	2	118.7095	0.113	2	114.8822	19.611	4	114.8822	19.611	4
976	538	818	5:SP2_SP2_SPD5	O[5]	Ge[5,5]	C[5]	5:3:	4:4:2:2:1:	2:3:4:	Ge[5,5]-5:C[5]-3:	C[5]-4:C[5]-4:O[5]-2:O[5]-2:Cl-1:	O[5]-2:N[5]-3:C-4:	O[5](Ge[5,5]C[5]2O[5]Cl)(C[5]N[5]C)	Ge[5,5](C[5]N[5]HH)2(O[5]C[5])2(Cl)	C[5](O[5]Ge[5,5])(N[5]C[5]C)(CCHH)	O[5](Ge[5,5]C[5]2O[5]Cl)(C[5]N[5]C){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	Ge[5,5](C[5]N[5]HH)2(O[5]C[5])2(Cl){4|C<4>}	C[5](O[5]Ge[5,5])(N[5]C[5]C)(CCHH){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	111.0550	0.358	2	111.0550	0.128	2	111.0550	0.128	2	111.0550	0.128	2	114.8822	19.611	4	114.8822	19.611	4
976	542	727	5:SP2_SP2_SP2	O[5]	N[5]	C[5,6a]	3:3:	3:2:1:	3:3:2:	C[5,6a]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)	N[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]N[5])	O[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]N[5]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	104.2510	0.000	1	104.2510	0.000	1	104.2510	0.000	1	104.2510	0.000	1	104.2510	0.000	1	104.2510	0.000	1
976	542	727	5:SP2_SP2_SP3	O[5]	N[5]	C[5,6a]	3:3:	4:3:2:	3:3:2:	C[5,6a]-3:N[5]-3:	C[5]-4:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])	N[5](C[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)(O[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]N[5])	O[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5]){1|H<1>,6|C<3>}	N[5](C[5]C[5,6a]C[6a]2)(C[6a]C[6a]2)(O[5]C[5,6a]){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]N[5]){2|H<1>,4|C<3>}	104.1930	0.000	1	104.1930	0.000	1	104.1930	0.000	1	104.1930	0.000	1	104.1930	0.000	1	104.1930	0.000	1
976	542	786	5:SP3_SP2_SP3	O[5]	N[5]	B[5]	4:3:	2:2:4:	3:3:2:2:	B[5]-4:N[5]-3:	N[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:O[5]-2:O[5]-2:	O[5](B[5]C[6a]2O[5])(N[5]N[5]C)	N[5](N[5]O[5])(O[5]B[5])(CCCH)	B[5](C[6a]C[6a]2)2(O[5]N[5])2	O[5](B[5]C[6a]2O[5])(N[5]N[5]C){4|C<3>}	N[5](N[5]O[5])(O[5]B[5])(CCCH){2|C<3>}	B[5](C[6a]C[6a]2)2(O[5]N[5])2{1|C<4>,4|C<3>,4|F<1>}	105.5315	0.120	2	105.5315	0.014	2	105.5315	0.014	2	105.5315	0.014	2	105.5610	0.010	3	105.5610	0.010	3
976	542	786	5:SP3_SP2_SP3	O[5]	N[5]	B[5]	4:3:	4:3:2:	3:3:2:2:	B[5]-4:N[5]-3:	C[6]-4:C[5]-3:O[5]-2:	C[6a]-3:C[6a]-3:O[5]-2:O[5]-2:	O[5](B[5]C[6a]2O[5])(N[5]C[5]C[6])	N[5](C[6]C[6]2H)(C[5]O[5]C)(O[5]B[5])	B[5](C[6a]C[6a]2)2(O[5]C[5])(O[5]N[5])	O[5](B[5]C[6a]2O[5])(N[5]C[5]C[6]){1|H<1>,3|C<4>,4|C<3>}	N[5](C[6]C[6]2H)(C[5]O[5]C)(O[5]B[5]){2|C<3>,2|C<4>,4|H<1>}	B[5](C[6a]C[6a]2)2(O[5]C[5])(O[5]N[5]){2|C<4>,4|C<3>,4|H<1>}	105.6200	0.000	1	105.6200	0.000	1	105.6200	0.000	1	105.6200	0.000	1	105.5610	0.010	3	105.5610	0.010	3
976	542	818	5:SP2_SP2_SP2	O[5]	N[5,5]	C[5]	3:3:	3:4:2:	4:2:1:	N[5,5]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3]C[5]2)(O[5]C[5])	C[5](C[5]C[5,5]CN)(O[5]N[5,5])(O)	O[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]O){1|N<3>,2|C<4>,3|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3]C[5]2)(O[5]C[5]){1|N<3>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[5](C[5]C[5,5]CN)(O[5]N[5,5])(O){1|C<4>,2|C<3>}	109.8090	0.000	1	109.8090	0.000	1	109.8090	0.000	1	109.8090	0.000	1	106.8906	1.155	14	106.4332	3.345	48
976	542	818	5:SP2_SP2_SP2	O[5]	N[5,5]	C[5]	3:3:	4:3:2:	3:3:2:	N[5,5]-3:C[5]-3:	C[5,5]-4:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:O[5]-2:	O[5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5])	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(O[5]C[5])	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]N[5,5])	O[5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]){1|O<1>,1|O<2>,5|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(O[5]C[5]){4|C<3>}	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]N[5,5]){1|O<2>,2|H<1>,4|C<3>}	105.2580	0.000	1	105.2580	0.000	1	105.2580	0.000	1	105.2580	0.000	1	106.8906	1.155	14	106.4332	3.345	48
976	542	818	5:SP2_SP2_SP2	O[5]	N[5,5]	C[5]	3:3:	4:4:2:	3:2:3:	N[5,5]-3:C[5]-3:	C[5,5,6]-4:C[5,5]-4:O[5]-2:	N[5]-3:O[5]-2:N-3:	O[5](N[5,5]C[5,5,6]C[5,5])(C[5]N[5]N)	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5]O[5]C)(O[5]C[5])	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(NCC)	O[5](N[5,5]C[5,5,6]C[5,5])(C[5]N[5]N){1|Pt<4>,1|H<1>,1|O<2>,3|C<4>}	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5]O[5]C)(O[5]C[5]){1|Pt<4>,1|N<3>,2|H<1>,3|C<4>}	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(NCC){1|O<2>,2|C<4>}	106.0705	0.310	2	106.0705	0.096	2	106.0705	0.096	2	106.8565	0.539	6	106.8906	1.155	14	106.4332	3.345	48
976	542	818	5:SP2_SP2_SP2	O[5]	N[5,5]	C[5]	3:3:	4:4:2:	3:2:3:	N[5,5]-3:C[5]-3:	C[5,5]-4:C[5]-4:O[5]-2:	N[5]-3:O[5]-2:N-3:	O[5](N[5,5]C[5,5]C[5])(C[5]N[5]N)	N[5,5](C[5,5]N[5]2H)(C[5]C[5]CC)(O[5]C[5])	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(NCC)	O[5](N[5,5]C[5,5]C[5])(C[5]N[5]N){1|Pt<4>,1|H<1>,1|N<3>,3|C<4>}	N[5,5](C[5,5]N[5]2H)(C[5]C[5]CC)(O[5]C[5]){1|Pt<4>,1|H<1>,1|N<3>,2|C<4>}	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(NCC){1|C<4>,1|H<1>,1|N<3>}	106.7430	0.000	1	106.7430	0.000	1	106.7430	0.000	1	106.8565	0.539	6	106.8906	1.155	14	106.4332	3.345	48
976	542	818	5:SP2_SP2_SP2	O[5]	N[5,5]	C[5]	3:3:	4:4:2:	3:2:3:	N[5,5]-3:C[5]-3:	C[5,5]-4:C[5]-4:O[5]-2:	N[5]-3:O[5]-2:N[6]-3:	O[5](N[5,5]C[5,5]C[5])(C[5]N[5]N[6])	N[5,5](C[5,5]N[5]2H)(C[5]C[5]CC)(O[5]C[5])	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(N[6]C[6]2)	O[5](N[5,5]C[5,5]C[5])(C[5]N[5]N[6]){1|Pt<4>,1|H<1>,1|N<3>,5|C<4>}	N[5,5](C[5,5]N[5]2H)(C[5]C[5]CC)(O[5]C[5]){1|Pt<4>,1|H<1>,1|N<3>,2|C<4>}	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(N[6]C[6]2){1|N<3>,3|C<4>,5|H<1>}	107.1660	0.151	2	107.1660	0.023	2	107.4183	0.202	3	106.8565	0.539	6	106.8906	1.155	14	106.4332	3.345	48
976	542	818	5:SP2_SP2_SP2	O[5]	N[5,5]	C[5]	3:3:	4:4:2:	3:2:3:	N[5,5]-3:C[5]-3:	C[5,5]-4:C[5]-4:O[5]-2:	N[5]-3:O[5]-2:N[6]-3:	O[5](N[5,5]C[5,5]C[5])(C[5]N[5]N[6])	N[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CC)(O[5]C[5])	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(N[6]C[6]2)	O[5](N[5,5]C[5,5]C[5])(C[5]N[5]N[6]){1|Pt<4>,1|O<2>,6|C<4>}	N[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CC)(O[5]C[5]){1|Pt<4>,1|N<3>,2|H<1>}	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(N[6]C[6]2){1|O<2>,4|C<4>,4|H<1>}	107.9230	0.000	1	107.9230	0.000	1	107.4183	0.202	3	106.8565	0.539	6	106.8906	1.155	14	106.4332	3.345	48
976	542	818	5:SP2_SP2_SP2	O[5]	N[5,5]	C[5]	3:3:	4:4:2:	3:2:4:	N[5,5]-3:C[5]-3:	C[5,5,6]-4:C[5,5]-4:O[5]-2:	N[5]-3:O[5]-2:C-4:	O[5](N[5,5]C[5,5,6]C[5,5])(C[5]N[5]C)	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5]O[5]C)(O[5]C[5])	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(CCHH)	O[5](N[5,5]C[5,5,6]C[5,5])(C[5]N[5]C){1|Pt<4>,1|H<1>,1|O<2>,3|C<4>}	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5]O[5]C)(O[5]C[5]){1|Pt<4>,2|H<1>,4|C<4>}	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(CCHH){1|O<2>,2|C<4>}	106.1320	0.000	1	106.1320	0.000	1	106.1320	0.000	1	106.7334	0.230	5	106.8906	1.155	14	106.4332	3.345	48
976	542	818	5:SP2_SP2_SP2	O[5]	N[5,5]	C[5]	3:3:	4:4:2:	3:2:4:	N[5,5]-3:C[5]-3:	C[5,5]-4:C[5]-4:O[5]-2:	N[5]-3:O[5]-2:C-4:	O[5](N[5,5]C[5,5]C[5])(C[5]N[5]C)	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CC)(O[5]C[5])	C[5](N[5]C[5,5]Pd)(O[5]N[5,5])(CCHH)	O[5](N[5,5]C[5,5]C[5])(C[5]N[5]C){1|Pd<4>,1|H<1>,4|C<4>}	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CC)(O[5]C[5]){1|Pd<4>,1|C<4>,4|H<1>}	C[5](N[5]C[5,5]Pd)(O[5]N[5,5])(CCHH){1|H<1>,2|C<4>}	107.4080	0.000	1	107.4080	0.000	1	106.8838	0.156	4	106.7334	0.230	5	106.8906	1.155	14	106.4332	3.345	48
976	542	818	5:SP2_SP2_SP2	O[5]	N[5,5]	C[5]	3:3:	4:4:2:	3:2:4:	N[5,5]-3:C[5]-3:	C[5,5]-4:C[5]-4:O[5]-2:	N[5]-3:O[5]-2:C-4:	O[5](N[5,5]C[5,5]C[5])(C[5]N[5]C)	N[5,5](C[5,5]N[5]2H)(C[5]C[5]CC)(O[5]C[5])	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(CCHH)	O[5](N[5,5]C[5,5]C[5])(C[5]N[5]C){1|Pt<4>,1|H<1>,1|N<3>,3|C<4>}	N[5,5](C[5,5]N[5]2H)(C[5]C[5]CC)(O[5]C[5]){1|Pt<4>,1|H<1>,3|C<4>}	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(CCHH){1|C<4>,1|H<1>,1|N<3>}	106.6210	0.233	2	106.6210	0.054	2	106.8838	0.156	4	106.7334	0.230	5	106.8906	1.155	14	106.4332	3.345	48
976	542	818	5:SP2_SP2_SP2	O[5]	N[5,5]	C[5]	3:3:	4:4:2:	3:2:4:	N[5,5]-3:C[5]-3:	C[5,5]-4:C[5]-4:O[5]-2:	N[5]-3:O[5]-2:C-4:	O[5](N[5,5]C[5,5]C[5])(C[5]N[5]C)	N[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CC)(O[5]C[5])	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(CCHH)	O[5](N[5,5]C[5,5]C[5])(C[5]N[5]C){1|Pt<4>,1|O<2>,4|C<4>}	N[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CC)(O[5]C[5]){1|Pt<4>,1|C<4>,2|H<1>}	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(CCHH){1|O<2>,2|C<4>}	106.8850	0.000	1	106.8850	0.000	1	106.8838	0.156	4	106.7334	0.230	5	106.8906	1.155	14	106.4332	3.345	48
976	542	818	5:SP2_SP2_SP2	O[5]	N[5,5]	C[5]	3:3:	4:4:2:	3:3:2:	N[5,5]-3:C[5]-3:	C[5,5]-4:C[5]-4:O[5]-2:	N[5]-3:C[6a]-3:O[5]-2:	O[5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5])	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CC)(O[5]C[5])	C[5](N[5]C[5,5]Pd)(C[6a]C[6a]2)(O[5]N[5,5])	O[5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5]){1|Pd<4>,1|H<1>,2|C<3>,4|C<4>}	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CC)(O[5]C[5]){1|Pd<4>,1|C<3>,4|H<1>}	C[5](N[5]C[5,5]Pd)(C[6a]C[6a]2)(O[5]N[5,5]){2|C<3>,2|C<4>,3|H<1>}	106.5960	0.000	1	106.5960	0.000	1	106.5960	0.000	1	106.5960	0.000	1	106.8906	1.155	14	106.4332	3.345	48
976	542	818	5:SP2_SP2_SP2	O[5]	N[5]	C[5]	3:3:	3:2:4:	2:2:3:	C[5]-3:N[5]-3:	C[5]-3:O[5]-2:C-4:	N[5]-2:O[5]-2:N-3:	O[5](C[5]N[5]N)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(O[5]C[5])(CH3)	C[5](N[5]C[5])(O[5]N[5])(NC[6]H)	O[5](C[5]N[5]N)(N[5]C[5]C){1|C<3>}	N[5](C[5]C[6a]N[5])(O[5]C[5])(CH3){1|N<3>,2|C<3>}	C[5](N[5]C[5])(O[5]N[5])(NC[6]H){1|C<3>,1|C<4>}	102.9750	0.006	2	102.9750	0.000	2	102.9750	0.000	2	102.9750	0.000	2	106.2449	4.184	34	106.4332	3.345	48
976	542	818	5:SP2_SP2_SP2	O[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:1:	C[5]-3:N[5]-3:	N[5]-3:O[5]-2:C-4:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]O)(N[5]N[5]C)	N[5](N[5]C[5]O)(O[5]C[5])(CH3)	C[5](C[5]N[5]C)(O[5]N[5])(O)	O[5](C[5]C[5]O)(N[5]N[5]C){1|C<3>,1|O<1>}	N[5](N[5]C[5]O)(O[5]C[5])(CH3){1|C<3>,1|O<1>}	C[5](C[5]N[5]C)(O[5]N[5])(O){1|C<4>,1|O<1>}	109.3660	0.000	1	109.3660	0.000	1	109.3660	0.000	1	109.3660	0.000	1	106.2449	4.184	34	106.4332	3.345	48
976	542	818	5:SP2_SP2_SP2	O[5]	N[5]	C[5]	3:3:	3:2:4:	3:2:2:	C[5]-3:N[5]-3:	C[5,6a]-3:O[5]-2:C-4:	C[5,6a]-3:O[5]-2:N-2:	O[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(NC[5])	O[5](C[5]C[5,6a]N)(N[5]C[5,6a]C){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC3){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(NC[5]){1|C<4>,1|H<1>,2|C<3>}	107.6105	0.931	2	107.6105	0.867	2	107.6105	0.867	2	107.6105	0.867	2	106.2449	4.184	34	106.4332	3.345	48
976	542	818	5:SP2_SP2_SP2	O[5]	N[5]	C[5]	3:3:	3:4:2:	3:2:4:	C[5]-3:N[5]-3:	C[5]-3:C-4:O[5]-2:	N[5]-3:O[5]-2:C-4:	O[5](C[5]N[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]N[5])(CC[6a]HH)(O[5]C[5])	C[5](N[5]C[5]Pt)(O[5]N[5])(CH3)	O[5](C[5]N[5]C)(N[5]C[5]C){1|Pt<4>,1|C<3>}	N[5](C[5]C[6a]N[5])(CC[6a]HH)(O[5]C[5]){1|Pt<4>,1|C<4>,2|C<3>}	C[5](N[5]C[5]Pt)(O[5]N[5])(CH3){1|C<3>,1|C<4>}	106.2540	0.000	1	106.2540	0.000	1	106.2540	0.000	1	106.2540	0.000	1	106.2449	4.184	34	106.4332	3.345	48
976	542	818	5:SP2_SP2_SP2	O[5]	N[5]	C[5]	3:3:	4:2:3:	4:2:1:	C[5]-3:N[5]-3:	C[5]-4:O[5]-2:C-3:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5]O)(N[5]C[5]C)	N[5](C[5]C[5]2H)(O[5]C[5])(COO)	C[5](C[5]C[5]HH)(O[5]N[5])(O)	O[5](C[5]C[5]O)(N[5]C[5]C){1|C<4>,3|H<1>}	N[5](C[5]C[5]2H)(O[5]C[5])(COO){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]N[5])(O){1|C<3>,1|C<4>,1|H<1>}	108.8760	0.153	2	108.8760	0.023	2	108.7953	0.031	3	108.7953	0.031	3	106.2449	4.184	34	106.4332	3.345	48
976	542	818	5:SP2_SP2_SP2	O[5]	N[5]	C[5]	3:3:	4:2:3:	4:2:1:	C[5]-3:N[5]-3:	C[5]-4:O[5]-2:C-3:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5]O)(N[5]C[5]C)	N[5](C[5]C[5]C[6]H)(O[5]C[5])(COO)	C[5](C[5]C[5]HH)(O[5]N[5])(O)	O[5](C[5]C[5]O)(N[5]C[5]C){1|C<4>,3|H<1>}	N[5](C[5]C[5]C[6]H)(O[5]C[5])(COO){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]N[5])(O){1|C<3>,1|C<4>,1|H<1>}	108.6340	0.000	1	108.6340	0.000	1	108.7953	0.031	3	108.7953	0.031	3	106.2449	4.184	34	106.4332	3.345	48
976	542	818	5:SP2_SP2_SP2	O[5]	N[5]	C[5]	3:3:	4:2:4:	2:2:3:	C[5]-3:N[5]-3:	C[5]-4:O[5]-2:C-4:	N[5]-2:O[5]-2:N-3:	O[5](C[5]N[5]N)(N[5]C[5]C)	N[5](C[5]C[6a]2N[5])(O[5]C[5])(CH3)	C[5](N[5]C[5])(O[5]N[5])(NCC)	O[5](C[5]N[5]N)(N[5]C[5]C){2|C<3>}	N[5](C[5]C[6a]2N[5])(O[5]C[5])(CH3){1|N<3>,4|C<3>}	C[5](N[5]C[5])(O[5]N[5])(NCC){1|C<4>,2|C<3>}	104.6590	0.000	1	104.6590	0.000	1	104.4795	0.064	2	104.4795	0.064	2	106.2449	4.184	34	106.4332	3.345	48
976	542	818	5:SP2_SP2_SP2	O[5]	N[5]	C[5]	3:3:	4:2:4:	2:2:3:	C[5]-3:N[5]-3:	C[5]-4:O[5]-2:C-4:	N[5]-2:O[5]-2:N-3:	O[5](C[5]N[5]N)(N[5]C[5]C)	N[5](C[5]C[6a]2N[5])(O[5]C[5])(CH3)	C[5](N[5]C[5])(O[5]N[5])(NC[6a]2)	O[5](C[5]N[5]N)(N[5]C[5]C){2|C<3>}	N[5](C[5]C[6a]2N[5])(O[5]C[5])(CH3){1|N<3>,4|C<3>}	C[5](N[5]C[5])(O[5]N[5])(NC[6a]2){1|C<4>,2|C<3>}	104.3000	0.000	1	104.3000	0.000	1	104.4795	0.064	2	104.4795	0.064	2	106.2449	4.184	34	106.4332	3.345	48
976	542	818	5:SP2_SP2_SP2	O[5]	N[5]	C[5]	3:3:	4:2:4:	3:2:2:	C[5]-3:N[5]-3:	C[5]-4:O[5]-2:C-4:	N[5]-3:O[5]-2:N-2:	O[5](C[5]N[5]N)(N[5]C[5]C)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	C[5](N[5]C[6a]C[5])(O[5]N[5])(NC[6a])	O[5](C[5]N[5]N)(N[5]C[5]C){1|H<1>,2|C<3>}	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|N<2>,3|C<3>}	C[5](N[5]C[6a]C[5])(O[5]N[5])(NC[6a]){1|C<4>,1|H<1>,3|C<3>}	109.1287	1.115	3	109.1287	1.243	3	109.1287	1.243	3	109.1287	1.243	3	106.2449	4.184	34	106.4332	3.345	48
976	542	818	5:SP2_SP2_SP2	O[5]	N[5]	C[5]	3:3:	4:2:4:	3:2:3:	C[5]-3:N[5]-3:	C[5]-4:O[5]-2:C-4:	N[5]-3:O[5]-2:N-3:	O[5](C[5]N[5]N)(N[5]C[5]C)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	C[5](N[5]C[5]Pt)(O[5]N[5])(NCC)	O[5](C[5]N[5]N)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|H<1>}	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|Pt<4>,1|N<3>,2|C<3>}	C[5](N[5]C[5]Pt)(O[5]N[5])(NCC){1|C<3>,1|C<4>,1|H<1>}	103.3380	0.948	2	103.3380	0.898	2	103.3380	0.898	2	103.3380	0.898	2	106.2449	4.184	34	106.4332	3.345	48
976	542	818	5:SP2_SP2_SP2	O[5]	N[5]	C[5]	3:3:	4:2:4:	3:2:4:	C[5]-3:N[5]-3:	C[5]-4:O[5]-2:C-4:	N[5]-3:O[5]-2:C-4:	O[5](C[5]N[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	C[5](N[5]B[5x3,4,9x5,6,6]C[5])(O[5]N[5])(CCHH)	O[5](C[5]N[5]C)(N[5]C[5]C){1|B<6>,1|C<3>,1|H<1>}	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|B<6>,1|C<4>,2|C<3>}	C[5](N[5]B[5x3,4,9x5,6,6]C[5])(O[5]N[5])(CCHH){1|B<5>,1|C<3>,1|C<4>,1|H<1>,4|B<6>}	106.5140	0.000	1	106.5140	0.000	1	106.5300	0.100	7	106.5300	0.100	7	106.2449	4.184	34	106.4332	3.345	48
976	542	818	5:SP2_SP2_SP2	O[5]	N[5]	C[5]	3:3:	4:2:4:	3:2:4:	C[5]-3:N[5]-3:	C[5]-4:O[5]-2:C-4:	N[5]-3:O[5]-2:C-4:	O[5](C[5]N[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	C[5](N[5]B[5x3,4,9x5,6,6]C[5])(O[5]N[5])(CH3)	O[5](C[5]N[5]C)(N[5]C[5]C){1|B<6>,1|C<3>,1|H<1>}	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|B<6>,1|C<4>,2|C<3>}	C[5](N[5]B[5x3,4,9x5,6,6]C[5])(O[5]N[5])(CH3){1|B<5>,1|C<3>,1|C<4>,1|H<1>,4|B<6>}	106.7500	0.316	3	106.7500	0.100	3	106.5300	0.100	7	106.5300	0.100	7	106.2449	4.184	34	106.4332	3.345	48
976	542	818	5:SP2_SP2_SP2	O[5]	N[5]	C[5]	3:3:	4:2:4:	3:2:4:	C[5]-3:N[5]-3:	C[5]-4:O[5]-2:C-4:	N[5]-3:O[5]-2:C-4:	O[5](C[5]N[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	C[5](N[5]C[5]Pt)(O[5]N[5])(CH3)	O[5](C[5]N[5]C)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|H<1>}	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|Pt<4>,1|C<4>,2|C<3>}	C[5](N[5]C[5]Pt)(O[5]N[5])(CH3){1|C<3>,1|C<4>,1|H<1>}	106.3153	0.242	3	106.3153	0.059	3	106.5300	0.100	7	106.5300	0.100	7	106.2449	4.184	34	106.4332	3.345	48
976	542	818	5:SP2_SP2_SP2	O[5]	N[5]	C[5]	3:3:	4:2:4:	3:3:2:	C[5]-3:N[5]-3:	C[5]-4:O[5]-2:C-4:	C[6a]-3:N[5]-3:O[5]-2:	O[5](C[5]C[6a]N[5])(N[5]C[5]C)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(O[5]N[5])	O[5](C[5]C[6a]N[5])(N[5]C[5]C){1|Pt<4>,1|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|Pt<4>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(O[5]N[5]){1|C<4>,3|C<3>,3|H<1>}	106.1853	0.962	3	106.1853	0.925	3	106.1853	0.925	3	106.1853	0.925	3	106.2449	4.184	34	106.4332	3.345	48
976	542	818	5:SP2_SP2_SP2	O[5]	N[5]	C[5]	3:3:	4:3:2:	3:2:3:	N[5]-3:C[5]-3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:O[5]-2:N-3:	O[5](N[5]C[6a]C[5])(C[5]N[5]N)	N[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(O[5]C[5])	C[5](N[5]C[5]Pt)(O[5]N[5])(NCC)	O[5](N[5]C[6a]C[5])(C[5]N[5]N){1|Pt<4>,4|C<3>}	N[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(O[5]C[5]){1|Pt<4>,1|N<3>,2|H<1>,6|C<3>}	C[5](N[5]C[5]Pt)(O[5]N[5])(NCC){3|C<3>}	103.0720	0.000	1	103.0720	0.000	1	103.0720	0.000	1	103.0720	0.000	1	106.2449	4.184	34	106.4332	3.345	48
976	542	818	5:SP2_SP2_SP2	O[5]	N[5]	C[5]	3:3:	4:3:2:	3:2:4:	N[5]-3:C[5]-3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:O[5]-2:C-4:	O[5](N[5]C[6a]C[5])(C[5]N[5]C)	N[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(O[5]C[5])	C[5](N[5]C[5]Pd)(O[5]N[5])(CCHH)	O[5](N[5]C[6a]C[5])(C[5]N[5]C){1|Pd<4>,4|C<3>}	N[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(O[5]C[5]){1|Pd<4>,1|C<4>,2|H<1>,6|C<3>}	C[5](N[5]C[5]Pd)(O[5]N[5])(CCHH){3|C<3>}	104.4180	0.000	1	104.4180	0.000	1	104.6690	0.126	2	104.6690	0.126	2	106.2449	4.184	34	106.4332	3.345	48
976	542	818	5:SP2_SP2_SP2	O[5]	N[5]	C[5]	3:3:	4:3:2:	3:2:4:	N[5]-3:C[5]-3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:O[5]-2:C-4:	O[5](N[5]C[6a]C[5])(C[5]N[5]C)	N[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(O[5]C[5])	C[5](N[5]C[5]Pt)(O[5]N[5])(CCHH)	O[5](N[5]C[6a]C[5])(C[5]N[5]C){1|Pt<4>,4|C<3>}	N[5](C[5]C[6a]2N[5])(C[6a]C[6a]2)(O[5]C[5]){1|Pt<4>,1|C<4>,2|H<1>,6|C<3>}	C[5](N[5]C[5]Pt)(O[5]N[5])(CCHH){3|C<3>}	104.9200	0.000	1	104.9200	0.000	1	104.6690	0.126	2	104.6690	0.126	2	106.2449	4.184	34	106.4332	3.345	48
976	542	818	5:SP2_SP2_SP2	O[5]	N[5]	C[5]	3:3:	4:4:2:	2:2:3:	C[5]-3:N[5]-3:	C[5]-4:C-4:O[5]-2:	N[5]-2:O[5]-2:N-3:	O[5](C[5]N[5]N)(N[5]C[5]C)	N[5](C[5]C[6a]2N[5])(CC[6a]HH)(O[5]C[5])	C[5](N[5]C[5])(O[5]N[5])(NCC)	O[5](C[5]N[5]N)(N[5]C[5]C){2|C<3>}	N[5](C[5]C[6a]2N[5])(CC[6a]HH)(O[5]C[5]){1|N<3>,4|C<3>}	C[5](N[5]C[5])(O[5]N[5])(NCC){1|C<4>,2|C<3>}	104.4500	0.000	1	104.4500	0.000	1	104.4500	0.000	1	104.4500	0.000	1	106.2449	4.184	34	106.4332	3.345	48
976	542	818	5:SP2_SP2_SP2	O[5]	N[5]	C[5]	3:3:	4:4:2:	3:2:2:	C[5]-3:N[5]-3:	C[5]-4:C-4:O[5]-2:	N[6]-3:N[5]-2:O[5]-2:	O[5](C[5]N[5]N[6])(N[5]C[5]C)	N[5](C[5]C[6a]2N[5])(CC[6a]HH)(O[5]C[5])	C[5](N[6]C[6]2)(N[5]C[5])(O[5]N[5])	O[5](C[5]N[5]N[6])(N[5]C[5]C){2|C<3>,2|C<4>}	N[5](C[5]C[6a]2N[5])(CC[6a]HH)(O[5]C[5]){1|N<3>,4|C<3>}	C[5](N[6]C[6]2)(N[5]C[5])(O[5]N[5]){2|C<4>,3|C<3>,4|H<1>}	103.9030	0.000	1	103.9030	0.000	1	103.9030	0.000	1	103.9030	0.000	1	106.2449	4.184	34	106.4332	3.345	48
976	542	818	5:SP2_SP2_SP2	O[5]	N[5]	C[5]	3:3:	4:4:2:	3:2:3:	C[5]-3:N[5]-3:	C[5]-4:C-4:O[5]-2:	N[5]-3:O[5]-2:N-3:	O[5](C[5]N[5]N)(N[5]C[5]C)	N[5](C[5]C[6a]N[5]H)(CC[6a]HH)(O[5]C[5])	C[5](N[5]C[5]Pt)(O[5]N[5])(NCC)	O[5](C[5]N[5]N)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|H<1>}	N[5](C[5]C[6a]N[5]H)(CC[6a]HH)(O[5]C[5]){1|Pt<4>,1|N<3>,2|C<3>}	C[5](N[5]C[5]Pt)(O[5]N[5])(NCC){1|C<3>,1|C<4>,1|H<1>}	108.0760	0.000	1	108.0760	0.000	1	108.0760	0.000	1	108.0760	0.000	1	106.2449	4.184	34	106.4332	3.345	48
976	542	818	5:SP2_SP2_SP2	O[5]	N[5]	C[5]	3:3:	4:4:2:	3:3:2:	C[5]-3:N[5]-3:	C[5]-4:S-4:O[5]-2:	C[6a]-3:C[5]-3:O[5]-2:	O[5](C[5]C[6a]C[5])(N[5]C[5]S)	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(O[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]N[5])	O[5](C[5]C[6a]C[5])(N[5]C[5]S){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[6a]C[5]H)(SC[6a]OO)(O[5]C[5]){1|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]N[5]){1|S<4>,3|C<3>,3|H<1>}	107.1620	0.000	1	107.1620	0.000	1	107.1620	0.000	1	107.1620	0.000	1	106.2449	4.184	34	106.4332	3.345	48
976	542	818	5:SP2_SP2_SP2	O[5]	N[5]	C[5]	3:3:	4:4:2:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:C-4:O[5]-2:	C[5]-3:C-4:O[5]-2:	O[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5])	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]N[5])	O[5](C[5]C[5]C)(N[5]C[5]C){1|H<1>,2|C<3>}	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5]){1|C<4>,3|C<3>}	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]N[5]){1|C<3>,1|C<4>,1|H<1>}	105.8610	0.000	1	105.8610	0.000	1	105.8610	0.000	1	105.8610	0.000	1	106.2449	4.184	34	106.4332	3.345	48
976	542	818	5:SP2_SP2_SP3	O[5]	N[5,5]	C[5]	3:3:	4:4:2:	3:2:3:	N[5,5]-3:C[5]-3:	C[5,5]-4:C[5]-4:O[5]-2:	N[5]-3:O[5]-2:N-3:	O[5](N[5,5]C[5,5]C[5])(C[5]N[5]N)	N[5,5](C[5,5]N[5]2H)(C[5]C[5]CC)(O[5]C[5])	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(NCC)	O[5](N[5,5]C[5,5]C[5])(C[5]N[5]N){1|Pt<4>,1|H<1>,1|N<3>,3|C<4>}	N[5,5](C[5,5]N[5]2H)(C[5]C[5]CC)(O[5]C[5]){1|Pt<4>,1|H<1>,1|N<3>,2|C<4>}	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(NCC){1|C<4>,1|H<1>,1|N<3>}	107.3340	0.000	1	107.3340	0.000	1	107.3340	0.000	1	107.3340	0.000	1	107.3787	1.242	9	107.3704	2.769	39
976	542	818	5:SP2_SP2_SP3	O[5]	N[5,5]	C[5]	3:3:	4:4:2:	3:2:4:	N[5,5]-3:C[5]-3:	C[5,5,6]-4:C[5,5]-4:O[5]-2:	N[5]-3:O[5]-2:C-4:	O[5](N[5,5]C[5,5,6]C[5,5])(C[5]N[5]C)	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5]O[5]C)(O[5]C[5])	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(CCHH)	O[5](N[5,5]C[5,5,6]C[5,5])(C[5]N[5]C){1|Pt<4>,1|H<1>,1|O<2>,3|C<4>}	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5]O[5]C)(O[5]C[5]){1|Pt<4>,2|H<1>,4|C<4>}	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(CCHH){1|O<2>,2|C<4>}	106.9390	0.000	1	106.9390	0.000	1	106.9390	0.000	1	107.0430	0.022	2	107.3787	1.242	9	107.3704	2.769	39
976	542	818	5:SP2_SP2_SP3	O[5]	N[5,5]	C[5]	3:3:	4:4:2:	3:2:4:	N[5,5]-3:C[5]-3:	C[5,5]-4:C[5]-4:O[5]-2:	N[5]-3:O[5]-2:C-4:	O[5](N[5,5]C[5,5]C[5])(C[5]N[5]C)	N[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CC)(O[5]C[5])	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(CH3)	O[5](N[5,5]C[5,5]C[5])(C[5]N[5]C){1|Pt<4>,1|O<2>,4|C<4>}	N[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CC)(O[5]C[5]){1|Pt<4>,1|C<4>,2|H<1>}	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(CH3){1|O<2>,2|C<4>}	107.1470	0.000	1	107.1470	0.000	1	107.1470	0.000	1	107.0430	0.022	2	107.3787	1.242	9	107.3704	2.769	39
976	542	818	5:SP2_SP2_SP3	O[5]	N[5,5]	C[5]	3:3:	4:4:2:	3:3:2:	N[5,5]-3:C[5]-3:	C[5,5,6]-4:C[5,5]-4:O[5]-2:	N[5]-3:C[6a]-3:O[5]-2:	O[5](N[5,5]C[5,5,6]C[5,5])(C[5]C[6a]N[5])	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5]O[5]C)(O[5]C[5])	C[5](N[5]C[5,5]Pt)(C[6a]C[6a]2)(O[5]N[5,5])	O[5](N[5,5]C[5,5,6]C[5,5])(C[5]C[6a]N[5]){1|Pt<4>,1|H<1>,1|O<2>,2|C<3>,3|C<4>}	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5]O[5]C)(O[5]C[5]){1|Pt<4>,1|C<3>,2|H<1>,3|C<4>}	C[5](N[5]C[5,5]Pt)(C[6a]C[6a]2)(O[5]N[5,5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	106.7910	0.197	4	106.7910	0.039	4	106.7910	0.039	4	106.9512	0.157	5	107.3787	1.242	9	107.3704	2.769	39
976	542	818	5:SP2_SP2_SP3	O[5]	N[5,5]	C[5]	3:3:	4:4:2:	3:3:2:	N[5,5]-3:C[5]-3:	C[5,5]-4:C[5]-4:O[5]-2:	N[5]-3:C[6a]-3:O[5]-2:	O[5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5])	N[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CC)(O[5]C[5])	C[5](N[5]C[5,5]Pt)(C[6a]C[6a]2)(O[5]N[5,5])	O[5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5]){1|Pt<4>,1|O<2>,2|C<3>,4|C<4>}	N[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CC)(O[5]C[5]){1|Pt<4>,1|C<3>,2|H<1>}	C[5](N[5]C[5,5]Pt)(C[6a]C[6a]2)(O[5]N[5,5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	107.5920	0.000	1	107.5920	0.000	1	107.5920	0.000	1	106.9512	0.157	5	107.3787	1.242	9	107.3704	2.769	39
976	542	818	5:SP2_SP2_SP3	O[5]	N[5,5]	C[5]	3:3:	4:4:2:	4:2:1:	N[5,5]-3:C[5]-3:	C[5,5]-4:C[5]-4:O[5]-2:	C[5,5]-4:O[5]-2:O-1:	O[5](N[5,5]C[5,5]C[5])(C[5]C[5,5]O)	N[5,5](C[5,5]C[5,5]2H)(C[5]C[5,5]CH)(O[5]C[5])	C[5](C[5,5]C[5,5]C[5]N[5])(O[5]N[5,5])(O)	O[5](N[5,5]C[5,5]C[5])(C[5]C[5,5]O){1|N<3>,2|H<1>,4|C<4>}	N[5,5](C[5,5]C[5,5]2H)(C[5]C[5,5]CH)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]C[5]N[5])(O[5]N[5,5])(O){1|C<3>,3|H<1>,4|C<4>}	110.2320	0.000	1	110.2320	0.000	1	110.2320	0.000	1	110.2320	0.000	1	107.3787	1.242	9	107.3704	2.769	39
976	542	818	5:SP2_SP2_SP3	O[5]	N[5,6]	C[5]	3:3:	4:3:2:	3:2:4:	N[5,6]-3:C[5]-3:	C[5,6]-4:C[5,6]-3:O[5]-2:	C[5]-3:O[5]-2:C-4:	O[5](N[5,6]C[5,6]2)(C[5]C[5]C)	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]N[6])(O[5]C[5])	C[5](C[5]C[5,6]H)(O[5]N[5,6])(CC3)	O[5](N[5,6]C[5,6]2)(C[5]C[5]C){1|N<2>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]N[6])(O[5]C[5]){1|O<2>,3|H<1>,4|C<4>}	C[5](C[5]C[5,6]H)(O[5]N[5,6])(CC3){1|C<4>,1|N<2>}	106.5040	0.000	1	106.5040	0.000	1	106.5040	0.000	1	106.5040	0.000	1	106.4925	0.000	2	107.3704	2.769	39
976	542	818	5:SP2_SP2_SP3	O[5]	N[5,6]	C[5]	3:3:	4:4:2:	3:2:3:	N[5,6]-3:C[5]-3:	C[5,6]-4:C[6]-4:O[5]-2:	C[5]-3:O[5]-2:C-3:	O[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]CH)(O[5]C[5])	C[5](C[5]C[5,6]C)(O[5]N[5,6])(COO)	O[5](N[5,6]C[5,6]C[6])(C[5]C[5]C){1|H<1>,2|C<4>,3|C<3>}	N[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]CH)(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6]C)(O[5]N[5,6])(COO){1|C<4>,2|C<3>}	106.4810	0.000	1	106.4810	0.000	1	106.4810	0.000	1	106.4810	0.000	1	106.4925	0.000	2	107.3704	2.769	39
976	542	818	5:SP2_SP2_SP3	O[5]	N[5]	C[5]	3:3:	4:2:3:	3:2:3:	C[5]-3:N[5]-3:	C[5]-4:O[5]-2:C-3:	N[5]-3:O[5]-2:C-3:	O[5](C[5]N[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CC[6a]H)	C[5](N[5]C[5]Pt)(O[5]N[5])(CHH)	O[5](C[5]N[5]C)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|H<1>}	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CC[6a]H){1|Pt<4>,3|C<3>}	C[5](N[5]C[5]Pt)(O[5]N[5])(CHH){1|H<1>,2|C<3>}	105.8540	0.000	1	105.8540	0.000	1	105.7630	0.017	2	105.7630	0.017	2	107.4304	3.468	28	107.3704	2.769	39
976	542	818	5:SP2_SP2_SP3	O[5]	N[5]	C[5]	3:3:	4:2:3:	3:2:3:	C[5]-3:N[5]-3:	C[5]-4:O[5]-2:C-3:	N[5]-3:O[5]-2:C-3:	O[5](C[5]N[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CHH)	C[5](N[5]C[5]Pt)(O[5]N[5])(CHH)	O[5](C[5]N[5]C)(N[5]C[5]C){1|Pt<6>,1|C<3>,1|H<1>}	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CHH){1|Pt<6>,3|C<3>}	C[5](N[5]C[5]Pt)(O[5]N[5])(CHH){1|H<1>,2|C<3>}	105.6720	0.000	1	105.6720	0.000	1	105.7630	0.017	2	105.7630	0.017	2	107.4304	3.468	28	107.3704	2.769	39
976	542	818	5:SP2_SP2_SP3	O[5]	N[5]	C[5]	3:3:	4:2:3:	4:2:1:	C[5]-3:N[5]-3:	C[5]-4:O[5]-2:C-3:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5]O)(N[5]C[5]C)	N[5](C[5]C[5]2H)(O[5]C[5])(COO)	C[5](C[5]C[5]HH)(O[5]N[5])(O)	O[5](C[5]C[5]O)(N[5]C[5]C){1|C<4>,3|H<1>}	N[5](C[5]C[5]2H)(O[5]C[5])(COO){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]N[5])(O){1|C<3>,1|C<4>,1|H<1>}	108.7897	0.253	3	108.7980	0.043	4	108.7980	0.043	4	108.7980	0.043	4	107.4304	3.468	28	107.3704	2.769	39
976	542	818	5:SP2_SP2_SP3	O[5]	N[5]	C[5]	3:3:	4:2:3:	4:2:1:	C[5]-3:N[5]-3:	C[5]-4:O[5]-2:C-3:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5]O)(N[5]C[5]C)	N[5](C[5]C[5]2H)(O[5]C[5])(COO)	C[5](C[5]C[5]HH)(O[5]N[5])(O)	O[5](C[5]C[5]O)(N[5]C[5]C){1|C<4>,3|H<1>}	N[5](C[5]C[5]2H)(O[5]C[5])(COO){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]N[5])(O){1|C<3>,1|C<4>,1|H<1>}	108.8230	0.000	1	108.7980	0.043	4	108.7980	0.043	4	108.7980	0.043	4	107.4304	3.468	28	107.3704	2.769	39
976	542	818	5:SP2_SP2_SP3	O[5]	N[5]	C[5]	3:3:	4:2:4:	2:2:3:	C[5]-3:N[5]-3:	C[5]-4:O[5]-2:C-4:	N[5]-2:O[5]-2:N-3:	O[5](C[5]N[5]N)(N[5]C[5]C)	N[5](C[5]C[6a]2N[5])(O[5]C[5])(CH3)	C[5](N[5]C[5])(O[5]N[5])(NCC)	O[5](C[5]N[5]N)(N[5]C[5]C){2|C<3>}	N[5](C[5]C[6a]2N[5])(O[5]C[5])(CH3){1|N<3>,4|C<3>}	C[5](N[5]C[5])(O[5]N[5])(NCC){1|C<4>,2|C<3>}	103.9790	0.000	1	103.9790	0.000	1	104.0080	0.002	2	104.0080	0.002	2	107.4304	3.468	28	107.3704	2.769	39
976	542	818	5:SP2_SP2_SP3	O[5]	N[5]	C[5]	3:3:	4:2:4:	2:2:3:	C[5]-3:N[5]-3:	C[5]-4:O[5]-2:C-4:	N[5]-2:O[5]-2:N-3:	O[5](C[5]N[5]N)(N[5]C[5]C)	N[5](C[5]C[6a]2N[5])(O[5]C[5])(CH3)	C[5](N[5]C[5])(O[5]N[5])(NC[6a]2)	O[5](C[5]N[5]N)(N[5]C[5]C){2|C<3>}	N[5](C[5]C[6a]2N[5])(O[5]C[5])(CH3){1|N<3>,4|C<3>}	C[5](N[5]C[5])(O[5]N[5])(NC[6a]2){1|C<4>,2|C<3>}	104.0370	0.000	1	104.0370	0.000	1	104.0080	0.002	2	104.0080	0.002	2	107.4304	3.468	28	107.3704	2.769	39
976	542	818	5:SP2_SP2_SP3	O[5]	N[5]	C[5]	3:3:	4:2:4:	3:2:2:	C[5]-3:N[5]-3:	C[5]-4:O[5]-2:C-4:	N[5]-3:N[5]-2:O[5]-2:	O[5](C[5]N[5]2)(N[5]C[5]C)	N[5](C[5]C[6a]2N[5])(O[5]C[5])(CH3)	C[5](N[5]C[5]2)(N[5]C[5])(O[5]N[5])	O[5](C[5]N[5]2)(N[5]C[5]C){2|C<3>,2|C<4>}	N[5](C[5]C[6a]2N[5])(O[5]C[5])(CH3){1|N<3>,4|C<3>}	C[5](N[5]C[5]2)(N[5]C[5])(O[5]N[5]){2|C<3>,3|C<4>,4|H<1>}	104.6350	0.000	1	104.6350	0.000	1	104.6350	0.000	1	107.4660	3.750	4	107.4304	3.468	28	107.3704	2.769	39
976	542	818	5:SP2_SP2_SP3	O[5]	N[5]	C[5]	3:3:	4:2:4:	3:2:2:	C[5]-3:N[5]-3:	C[5]-4:O[5]-2:C-4:	N[5]-3:O[5]-2:N-2:	O[5](C[5]N[5]N)(N[5]C[5]C)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	C[5](N[5]C[6a]C[5])(O[5]N[5])(NC[6a])	O[5](C[5]N[5]N)(N[5]C[5]C){1|H<1>,2|C<3>}	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|N<2>,3|C<3>}	C[5](N[5]C[6a]C[5])(O[5]N[5])(NC[6a]){1|C<4>,1|H<1>,3|C<3>}	108.4097	0.530	3	108.4097	0.281	3	108.4097	0.281	3	107.4660	3.750	4	107.4304	3.468	28	107.3704	2.769	39
976	542	818	5:SP2_SP2_SP3	O[5]	N[5]	C[5]	3:3:	4:2:4:	3:2:3:	C[5]-3:N[5]-3:	C[5]-4:O[5]-2:C-4:	C[5]-3:O[5]-2:C-3:	O[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC3)	C[5](C[5]C[5]C)(O[5]N[5])(CC[6a]O)	O[5](C[5]C[5]C)(N[5]C[5]C){1|H<1>,2|C<3>}	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC3){4|C<3>}	C[5](C[5]C[5]C)(O[5]N[5])(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	107.6000	0.000	1	107.6000	0.000	1	107.6000	0.000	1	107.6000	0.000	1	107.4304	3.468	28	107.3704	2.769	39
976	542	818	5:SP2_SP2_SP3	O[5]	N[5]	C[5]	3:3:	4:2:4:	3:2:4:	C[5]-3:N[5]-3:	C[5]-4:O[5]-2:C-4:	N[5]-3:O[5]-2:C-4:	O[5](C[5]N[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	C[5](N[5]C[5]Au)(O[5]N[5])(CH3)	O[5](C[5]N[5]C)(N[5]C[5]C){1|Au<2>,1|C<3>,1|H<1>}	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|Au<2>,1|C<4>,2|C<3>}	C[5](N[5]C[5]Au)(O[5]N[5])(CH3){1|C<3>,1|C<4>,1|H<1>}	106.5270	0.000	1	106.5270	0.000	1	106.1615	0.267	2	106.1615	0.267	2	107.4304	3.468	28	107.3704	2.769	39
976	542	818	5:SP2_SP2_SP3	O[5]	N[5]	C[5]	3:3:	4:2:4:	3:2:4:	C[5]-3:N[5]-3:	C[5]-4:O[5]-2:C-4:	N[5]-3:O[5]-2:C-4:	O[5](C[5]N[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	C[5](N[5]C[5]Pt)(O[5]N[5])(CH3)	O[5](C[5]N[5]C)(N[5]C[5]C){1|Pt<4>,1|C<3>,1|H<1>}	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|Pt<4>,1|C<4>,2|C<3>}	C[5](N[5]C[5]Pt)(O[5]N[5])(CH3){1|C<3>,1|C<4>,1|H<1>}	105.7960	0.000	1	105.7960	0.000	1	106.1615	0.267	2	106.1615	0.267	2	107.4304	3.468	28	107.3704	2.769	39
976	542	818	5:SP2_SP2_SP3	O[5]	N[5]	C[5]	3:3:	4:2:4:	3:3:2:	C[5]-3:N[5]-3:	C[5]-4:O[5]-2:C-4:	C[6a]-3:N[5]-3:O[5]-2:	O[5](C[5]C[6a]N[5])(N[5]C[5]C)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(O[5]N[5])	O[5](C[5]C[6a]N[5])(N[5]C[5]C){1|Pt<4>,1|H<1>,3|C<3>}	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|Pt<4>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(O[5]N[5]){1|C<4>,3|C<3>,3|H<1>}	104.9650	0.000	1	104.9650	0.000	1	104.9650	0.000	1	105.8120	0.539	3	107.4304	3.468	28	107.3704	2.769	39
976	542	818	5:SP2_SP2_SP3	O[5]	N[5]	C[5]	3:3:	4:2:4:	3:3:2:	C[5]-3:N[5]-3:	C[5]-4:O[5]-2:C-4:	N[5]-3:N[6]-3:O[5]-2:	O[5](C[5]N[5]N[6])(N[5]C[5]C)	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	C[5](N[5]C[5]Pt)(N[6]C[6]2)(O[5]N[5])	O[5](C[5]N[5]N[6])(N[5]C[5]C){1|Pt<4>,1|C<3>,1|H<1>,2|C<4>}	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|Pt<4>,1|N<3>,2|C<3>}	C[5](N[5]C[5]Pt)(N[6]C[6]2)(O[5]N[5]){1|C<3>,3|C<4>,5|H<1>}	106.2355	0.035	2	106.2355	0.001	2	106.2355	0.001	2	105.8120	0.539	3	107.4304	3.468	28	107.3704	2.769	39
976	542	818	5:SP2_SP2_SP3	O[5]	N[5]	C[5]	3:3:	4:3:2:	3:2:1:	N[5]-3:C[5]-3:	C[5]-4:C[6a]-3:O[5]-2:	N[5]-3:O[5]-2:O-1:	O[5](N[5]C[6a]C[5])(C[5]N[5]O)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5])	C[5](N[5]C[6a]C[5])(O[5]N[5])(O)	O[5](N[5]C[6a]C[5])(C[5]N[5]O){1|H<1>,4|C<3>}	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,2|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(O[5]N[5])(O){1|H<1>,4|C<3>}	108.5960	0.000	1	108.5960	0.000	1	108.5960	0.000	1	108.5960	0.000	1	107.4304	3.468	28	107.3704	2.769	39
976	542	818	5:SP2_SP2_SP3	O[5]	N[5]	C[5]	3:3:	4:4:2:	3:2:3:	C[5]-3:N[5]-3:	C[5]-4:C-4:O[5]-2:	C[5]-3:O[5]-2:C-3:	O[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5])	C[5](C[5]C[5]C)(O[5]N[5])(CC[6a]O)	O[5](C[5]C[5]C)(N[5]C[5]C){1|H<1>,2|C<3>}	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5]){4|C<3>}	C[5](C[5]C[5]C)(O[5]N[5])(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	104.9240	0.000	1	104.9240	0.000	1	104.9240	0.000	1	104.9240	0.000	1	107.4304	3.468	28	107.3704	2.769	39
976	542	818	5:SP2_SP2_SP3	O[5]	N[5]	C[5]	3:3:	4:4:2:	3:3:2:	C[5]-3:N[5]-3:	C[5]-4:C-4:O[5]-2:	C[6a]-3:C[5]-3:O[5]-2:	O[5](C[5]C[6a]C[5])(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]N[5])	O[5](C[5]C[6a]C[5])(N[5]C[5]C){1|H<1>,4|C<3>}	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5]){4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]N[5]){1|C<4>,3|C<3>,3|H<1>}	107.9180	0.000	1	107.9180	0.000	1	107.9180	0.000	1	107.9180	0.000	1	107.4304	3.468	28	107.3704	2.769	39
976	542	818	5:SP2_SP2_SP3	O[5]	N[5]	C[5]	3:3:	4:4:2:	3:4:2:	C[5]-3:N[5]-3:	C[5]-4:C-4:O[5]-2:	C[5]-3:C-4:O[5]-2:	O[5](C[5]C[5]C)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5])	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]N[5])	O[5](C[5]C[5]C)(N[5]C[5]C){1|H<1>,2|C<3>}	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5]){1|C<4>,3|C<3>}	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]N[5]){1|C<3>,1|C<4>,1|H<1>}	107.8530	0.000	1	107.8530	0.000	1	107.8530	0.000	1	107.8530	0.000	1	107.4304	3.468	28	107.3704	2.769	39
976	542	818	5:SP2_SP2_SP3	O[5]	N[5]	C[5]	3:3:	4:4:2:	4:2:1:	C[5]-3:N[5]-3:	C[5]-4:C-4:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5]O)(N[5]C[5]C)	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5])	C[5](C[5]C[5]CN)(O[5]N[5])(O)	O[5](C[5]C[5]O)(N[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5]C[5]CN)(O[5]N[5])(O){1|C<3>,1|C<4>,1|H<1>}	109.4672	0.272	6	109.4672	0.074	6	109.4672	0.074	6	109.4672	0.074	6	107.4304	3.468	28	107.3704	2.769	39
976	542	931	5:SP3_SP2_SPD5	O[5]	N[5,6]	Si[5]	3:5:	3:3:2:	2:2:2:4:4:	N[5,6]-3:Si[5]-5:	C[5,6]-3:C[6]-3:O[5]-2:	O[5]-2:O[5]-2:O-2:C-4:C-4:	O[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO)	N[5,6](C[5,6]C[6]O[5])(C[6]C[6]H)(O[5]Si[5])	Si[5](O[5]C[5,6])(O[5]N[5,6])(ON[6a])(CC3)2	O[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CCO){1|H<1>,2|C<3>}	N[5,6](C[5,6]C[6]O[5])(C[6]C[6]H)(O[5]Si[5]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	Si[5](O[5]C[5,6])(O[5]N[5,6])(ON[6a])(CC3)2{2|C<3>}	115.4600	0.000	1	115.4600	0.000	1	115.4600	0.000	1	115.4600	0.000	1	114.8350	0.781	2	114.8350	0.781	2
976	542	931	5:SP3_SP2_SPD5	O[5]	N[5,6]	Si[5]	3:5:	3:3:2:	2:2:4:4:1:	N[5,6]-3:Si[5]-5:	C[5,6]-3:C[6]-3:O[5]-2:	O[5]-2:O[5]-2:C-4:C-4:Cl-1:	O[5](N[5,6]C[5,6]C[6])(Si[5]O[5]ClCC)	N[5,6](C[5,6]C[6]O[5])(C[6]C[6]H)(O[5]Si[5])	Si[5](O[5]C[5,6])(O[5]N[5,6])(CH3)2(Cl)	O[5](N[5,6]C[5,6]C[6])(Si[5]O[5]ClCC){1|H<1>,2|C<3>}	N[5,6](C[5,6]C[6]O[5])(C[6]C[6]H)(O[5]Si[5]){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	Si[5](O[5]C[5,6])(O[5]N[5,6])(CH3)2(Cl){2|C<3>}	114.2100	0.000	1	114.2100	0.000	1	114.2100	0.000	1	114.2100	0.000	1	114.8350	0.781	2	114.8350	0.781	2
976	542	946	5:SP3_SP1_SP2	O[5]	N[5,6]	Ge[5]	3:2:	3:3:2:	2:2:	N[5,6]-3:Ge[5]-2:	C[5,6]-3:C[6]-3:O[5]-2:	O[5]-2:S[5]-2:	O[5](N[5,6]C[5,6]C[6])(Ge[5]S[5])	N[5,6](C[5,6]C[6]S[5])(C[6]C[6]H)(O[5]Ge[5])	Ge[5](O[5]N[5,6])(S[5]C[5,6])	O[5](N[5,6]C[5,6]C[6])(Ge[5]S[5]){1|H<1>,2|C<3>}	N[5,6](C[5,6]C[6]S[5])(C[6]C[6]H)(O[5]Ge[5]){1|C<3>,2|H<1>}	Ge[5](O[5]N[5,6])(S[5]C[5,6]){2|C<3>}	120.9370	0.000	1	120.9370	0.000	1	120.9370	0.000	1	120.9370	0.000	1	120.9370	0.000	1	120.9370	0.000	1
976	542	960	5:SP2_SP2_SP2	O[5]	N[5]	N[5]	3:2:	3:2:1:	3:2:	N[5]-3:N[5]-2:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:O[5]-2:	O[5](N[5]C[5,6a]O)(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6,6a])(O[5]N[5])(O)	N[5](C[5,6a]C[5,6a]C[6,6a])(O[5]N[5])	O[5](N[5]C[5,6a]O)(N[5]C[5,6a]){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6,6a])(O[5]N[5])(O){3|C<3>}	N[5](C[5,6a]C[5,6a]C[6,6a])(O[5]N[5]){1|O<1>,3|C<3>}	108.7300	0.663	2	108.7300	0.440	2	109.2936	0.136	17	108.1612	0.704	67	108.1612	0.704	67	108.1612	0.704	67
976	542	960	5:SP2_SP2_SP2	O[5]	N[5]	N[5]	3:2:	3:2:1:	3:2:	N[5]-3:N[5]-2:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:O[5]-2:	O[5](N[5]C[5,6a]O)(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O)	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])	O[5](N[5]C[5,6a]O)(N[5]C[5,6a]){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O){1|Br<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5]){1|Br<1>,1|O<1>,2|C<3>}	109.2580	0.262	4	109.3688	0.072	15	109.2936	0.136	17	108.1612	0.704	67	108.1612	0.704	67	108.1612	0.704	67
976	542	960	5:SP2_SP2_SP2	O[5]	N[5]	N[5]	3:2:	3:2:1:	3:2:	N[5]-3:N[5]-2:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:O[5]-2:	O[5](N[5]C[5,6a]O)(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O)	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])	O[5](N[5]C[5,6a]O)(N[5]C[5,6a]){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O){1|Cl<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5]){1|Cl<1>,1|O<1>,2|C<3>}	109.3558	0.100	4	109.3688	0.072	15	109.2936	0.136	17	108.1612	0.704	67	108.1612	0.704	67	108.1612	0.704	67
976	542	960	5:SP2_SP2_SP2	O[5]	N[5]	N[5]	3:2:	3:2:1:	3:2:	N[5]-3:N[5]-2:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:O[5]-2:	O[5](N[5]C[5,6a]O)(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O)	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])	O[5](N[5]C[5,6a]O)(N[5]C[5,6a]){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O){1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5]){1|H<1>,1|O<1>,2|C<3>}	109.4250	0.098	3	109.3688	0.072	15	109.2936	0.136	17	108.1612	0.704	67	108.1612	0.704	67	108.1612	0.704	67
976	542	960	5:SP2_SP2_SP2	O[5]	N[5]	N[5]	3:2:	3:2:1:	3:2:	N[5]-3:N[5]-2:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:O[5]-2:	O[5](N[5]C[5,6a]O)(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O)	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])	O[5](N[5]C[5,6a]O)(N[5]C[5,6a]){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O){1|H<1>,2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5]){1|N<3>,1|O<1>,2|C<3>}	109.4120	0.572	3	109.3688	0.072	15	109.2936	0.136	17	108.1612	0.704	67	108.1612	0.704	67	108.1612	0.704	67
976	542	960	5:SP2_SP2_SP2	O[5]	N[5]	N[5]	3:2:	3:2:1:	3:2:	N[5]-3:N[5]-2:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:O[5]-2:	O[5](N[5]C[5,6a]O)(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O)	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])	O[5](N[5]C[5,6a]O)(N[5]C[5,6a]){2|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5])(O){3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(O[5]N[5]){1|N<3>,1|O<1>,2|C<3>}	109.5660	0.000	1	109.3688	0.072	15	109.2936	0.136	17	108.1612	0.704	67	108.1612	0.704	67	108.1612	0.704	67
976	542	960	5:SP2_SP2_SP2	O[5]	N[5]	N[5]	3:2:	3:2:1:	3:2:	N[5]-3:N[5]-2:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[3x6]C[5])(O[5]N[5])(O)	N[5](C[5]C[5]Br)(O[5]N[5])	O[5](N[5]C[5]O)(N[5]C[5]){1|Br<1>,1|C<4>}	N[5](C[5]C[3x6]C[5])(O[5]N[5])(O){1|Br<1>,3|C<4>}	N[5](C[5]C[5]Br)(O[5]N[5]){1|C<4>,1|O<1>}	107.5230	0.000	1	107.5230	0.000	1	107.7897	0.304	49	108.1612	0.704	67	108.1612	0.704	67	108.1612	0.704	67
976	542	960	5:SP2_SP2_SP2	O[5]	N[5]	N[5]	3:2:	3:2:1:	3:2:	N[5]-3:N[5]-2:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]2)(O[5]N[5])(O)	N[5](C[5]C[5]2)(O[5]N[5])	O[5](N[5]C[5]O)(N[5]C[5]){2|C<3>}	N[5](C[5]C[5]2)(O[5]N[5])(O){1|N<2>,2|C<3>}	N[5](C[5]C[5]2)(O[5]N[5]){1|N<2>,1|O<1>,2|C<3>}	108.1805	0.013	2	108.2703	0.024	3	107.7897	0.304	49	108.1612	0.704	67	108.1612	0.704	67	108.1612	0.704	67
976	542	960	5:SP2_SP2_SP2	O[5]	N[5]	N[5]	3:2:	3:2:1:	3:2:	N[5]-3:N[5]-2:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]2)(O[5]N[5])(O)	N[5](C[5]C[5]2)(O[5]N[5])	O[5](N[5]C[5]O)(N[5]C[5]){2|C<3>}	N[5](C[5]C[5]2)(O[5]N[5])(O){1|N<3>,2|C<3>}	N[5](C[5]C[5]2)(O[5]N[5]){1|N<3>,1|O<1>,2|C<3>}	108.4500	0.000	1	108.2703	0.024	3	107.7897	0.304	49	108.1612	0.704	67	108.1612	0.704	67	108.1612	0.704	67
976	542	960	5:SP2_SP2_SP2	O[5]	N[5]	N[5]	3:2:	3:2:1:	3:2:	N[5]-3:N[5]-2:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]2)(O[5]N[5])(O)	N[5](C[5]C[5]C)(O[5]N[5])	O[5](N[5]C[5]O)(N[5]C[5]){2|C<3>}	N[5](C[5]C[5]2)(O[5]N[5])(O){1|C<3>,2|N<2>}	N[5](C[5]C[5]C)(O[5]N[5]){1|C<3>,1|O<1>}	107.6990	0.000	1	107.6990	0.000	1	107.7897	0.304	49	108.1612	0.704	67	108.1612	0.704	67	108.1612	0.704	67
976	542	960	5:SP2_SP2_SP2	O[5]	N[5]	N[5]	3:2:	3:2:1:	3:2:	N[5]-3:N[5]-2:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]2)(O[5]N[5])(O)	N[5](C[5]C[5]N)(O[5]N[5])	O[5](N[5]C[5]O)(N[5]C[5]){1|C<3>,1|N<3>}	N[5](C[5]C[5]2)(O[5]N[5])(O){1|C<3>,1|N<2>,1|N<3>}	N[5](C[5]C[5]N)(O[5]N[5]){1|C<3>,1|O<1>}	107.7460	0.000	1	107.5485	0.030	4	107.7897	0.304	49	108.1612	0.704	67	108.1612	0.704	67	108.1612	0.704	67
976	542	960	5:SP2_SP2_SP2	O[5]	N[5]	N[5]	3:2:	3:2:1:	3:2:	N[5]-3:N[5]-2:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]2)(O[5]N[5])(O)	N[5](C[5]C[5]N)(O[5]N[5])	O[5](N[5]C[5]O)(N[5]C[5]){1|C<3>,1|N<3>}	N[5](C[5]C[5]2)(O[5]N[5])(O){1|C<3>,2|N<3>}	N[5](C[5]C[5]N)(O[5]N[5]){1|C<3>,1|O<1>}	107.4827	0.136	3	107.5485	0.030	4	107.7897	0.304	49	108.1612	0.704	67	108.1612	0.704	67	108.1612	0.704	67
976	542	960	5:SP2_SP2_SP2	O[5]	N[5]	N[5]	3:2:	3:2:1:	3:2:	N[5]-3:N[5]-2:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]2)(O[5]N[5])(O)	N[5](C[5]C[5a]C[5])(O[5]N[5])	O[5](N[5]C[5]O)(N[5]C[5]){2|C<3>}	N[5](C[5]C[5]2)(O[5]N[5])(O){1|C<3>,2|N<2>}	N[5](C[5]C[5a]C[5])(O[5]N[5]){1|C<3>,1|O<1>,2|N<2>}	107.9170	0.000	1	107.9170	0.000	1	107.7897	0.304	49	108.1612	0.704	67	108.1612	0.704	67	108.1612	0.704	67
976	542	960	5:SP2_SP2_SP2	O[5]	N[5]	N[5]	3:2:	3:2:1:	3:2:	N[5]-3:N[5]-2:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]Br)(O[5]N[5])(O)	N[5](C[5]C[5]Br)(O[5]N[5])	O[5](N[5]C[5]O)(N[5]C[5]){2|Br<1>}	N[5](C[5]C[5]Br)(O[5]N[5])(O){1|Br<1>}	N[5](C[5]C[5]Br)(O[5]N[5]){1|Br<1>,1|O<1>}	107.9410	0.000	1	107.9410	0.000	1	107.7897	0.304	49	108.1612	0.704	67	108.1612	0.704	67	108.1612	0.704	67
976	542	960	5:SP2_SP2_SP2	O[5]	N[5]	N[5]	3:2:	3:2:1:	3:2:	N[5]-3:N[5]-2:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]Br)(O[5]N[5])(O)	N[5](C[5]C[5]O)(O[5]N[5])	O[5](N[5]C[5]O)(N[5]C[5]){1|Br<1>,1|O<2>}	N[5](C[5]C[5]Br)(O[5]N[5])(O){1|O<2>}	N[5](C[5]C[5]O)(O[5]N[5]){1|Br<1>,1|O<1>}	107.8360	0.000	1	107.8360	0.000	1	107.7897	0.304	49	108.1612	0.704	67	108.1612	0.704	67	108.1612	0.704	67
976	542	960	5:SP2_SP2_SP2	O[5]	N[5]	N[5]	3:2:	3:2:1:	3:2:	N[5]-3:N[5]-2:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]C)(O[5]N[5])(O)	N[5](C[5]C[5]C)(O[5]N[5])	O[5](N[5]C[5]O)(N[5]C[5]){1|C<3>,1|C<4>}	N[5](C[5]C[5]C)(O[5]N[5])(O){1|C<3>}	N[5](C[5]C[5]C)(O[5]N[5]){1|C<4>,1|O<1>}	107.0925	0.244	10	107.2404	0.168	12	107.7897	0.304	49	108.1612	0.704	67	108.1612	0.704	67	108.1612	0.704	67
976	542	960	5:SP2_SP2_SP2	O[5]	N[5]	N[5]	3:2:	3:2:1:	3:2:	N[5]-3:N[5]-2:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]C)(O[5]N[5])(O)	N[5](C[5]C[5]C)(O[5]N[5])	O[5](N[5]C[5]O)(N[5]C[5]){2|C<3>}	N[5](C[5]C[5]C)(O[5]N[5])(O){1|C<3>}	N[5](C[5]C[5]C)(O[5]N[5]){1|C<3>,1|O<1>}	107.9800	0.042	2	107.2404	0.168	12	107.7897	0.304	49	108.1612	0.704	67	108.1612	0.704	67	108.1612	0.704	67
976	542	960	5:SP2_SP2_SP2	O[5]	N[5]	N[5]	3:2:	3:2:1:	3:2:	N[5]-3:N[5]-2:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]C)(O[5]N[5])(O)	N[5](C[5]C[5a]C[5])(O[5]N[5])	O[5](N[5]C[5]O)(N[5]C[5]){1|C<2>,1|C<3>}	N[5](C[5]C[5]C)(O[5]N[5])(O){1|C<3>}	N[5](C[5]C[5a]C[5])(O[5]N[5]){1|C<2>,1|N<2>,1|O<1>,1|O<2>}	108.4760	0.000	1	107.9365	0.582	2	107.7897	0.304	49	108.1612	0.704	67	108.1612	0.704	67	108.1612	0.704	67
976	542	960	5:SP2_SP2_SP2	O[5]	N[5]	N[5]	3:2:	3:2:1:	3:2:	N[5]-3:N[5]-2:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]C)(O[5]N[5])(O)	N[5](C[5]C[5a]C[5])(O[5]N[5])	O[5](N[5]C[5]O)(N[5]C[5]){1|C<3>,1|C<4>}	N[5](C[5]C[5]C)(O[5]N[5])(O){1|C<3>}	N[5](C[5]C[5a]C[5])(O[5]N[5]){1|C<4>,1|O<1>,2|N<2>}	107.3970	0.000	1	107.9365	0.582	2	107.7897	0.304	49	108.1612	0.704	67	108.1612	0.704	67	108.1612	0.704	67
976	542	960	5:SP2_SP2_SP2	O[5]	N[5]	N[5]	3:2:	3:2:1:	3:2:	N[5]-3:N[5]-2:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]C)(O[5]N[5])(O)	N[5](C[5]C[6a]C[5])(O[5]N[5])	O[5](N[5]C[5]O)(N[5]C[5]){1|C<3>,1|C<4>}	N[5](C[5]C[5]C)(O[5]N[5])(O){1|C<3>}	N[5](C[5]C[6a]C[5])(O[5]N[5]){1|C<4>,1|O<1>,2|C<3>}	107.3360	0.000	1	107.3360	0.000	1	107.7897	0.304	49	108.1612	0.704	67	108.1612	0.704	67	108.1612	0.704	67
976	542	960	5:SP2_SP2_SP2	O[5]	N[5]	N[5]	3:2:	3:2:1:	3:2:	N[5]-3:N[5]-2:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]Cl)(O[5]N[5])(O)	N[5](C[5]C[5]O)(O[5]N[5])	O[5](N[5]C[5]O)(N[5]C[5]){1|Cl<1>,1|O<2>}	N[5](C[5]C[5]Cl)(O[5]N[5])(O){1|O<2>}	N[5](C[5]C[5]O)(O[5]N[5]){1|Cl<1>,1|O<1>}	108.0265	0.001	2	108.0265	0.000	2	107.7897	0.304	49	108.1612	0.704	67	108.1612	0.704	67	108.1612	0.704	67
976	542	960	5:SP2_SP2_SP2	O[5]	N[5]	N[5]	3:2:	3:2:1:	3:2:	N[5]-3:N[5]-2:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5]N)(O[5]N[5])(O)	N[5](C[5]C[5]2)(O[5]N[5])	O[5](N[5]C[5]O)(N[5]C[5]){1|C<3>,1|N<2>}	N[5](C[5]C[5]N)(O[5]N[5])(O){1|C<3>}	N[5](C[5]C[5]2)(O[5]N[5]){1|C<3>,1|O<1>,2|N<2>}	108.0350	0.000	1	108.0350	0.000	1	107.7897	0.304	49	108.1612	0.704	67	108.1612	0.704	67	108.1612	0.704	67
976	542	960	5:SP2_SP2_SP2	O[5]	N[5]	N[5]	3:2:	3:2:1:	3:2:	N[5]-3:N[5]-2:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5a]C[5])(O[5]N[5])(O)	N[5](C[5]C[5]2)(O[5]N[5])	O[5](N[5]C[5]O)(N[5]C[5]){2|C<3>}	N[5](C[5]C[5a]C[5])(O[5]N[5])(O){1|C<3>,1|N<2>,1|N<3>}	N[5](C[5]C[5]2)(O[5]N[5]){1|N<2>,1|O<1>,2|C<3>}	107.5265	0.148	2	107.6320	0.084	4	107.7897	0.304	49	108.1612	0.704	67	108.1612	0.704	67	108.1612	0.704	67
976	542	960	5:SP2_SP2_SP2	O[5]	N[5]	N[5]	3:2:	3:2:1:	3:2:	N[5]-3:N[5]-2:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5a]C[5])(O[5]N[5])(O)	N[5](C[5]C[5]2)(O[5]N[5])	O[5](N[5]C[5]O)(N[5]C[5]){2|C<3>}	N[5](C[5]C[5a]C[5])(O[5]N[5])(O){1|C<3>,1|N<2>,1|N<3>}	N[5](C[5]C[5]2)(O[5]N[5]){1|N<3>,1|O<1>,2|C<3>}	107.7375	0.432	2	107.6320	0.084	4	107.7897	0.304	49	108.1612	0.704	67	108.1612	0.704	67	108.1612	0.704	67
976	542	960	5:SP2_SP2_SP2	O[5]	N[5]	N[5]	3:2:	3:2:1:	3:2:	N[5]-3:N[5]-2:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5a]C[5])(O[5]N[5])(O)	N[5](C[5]C[5]N)(O[5]N[5])	O[5](N[5]C[5]O)(N[5]C[5]){1|C<3>,1|N<3>}	N[5](C[5]C[5a]C[5])(O[5]N[5])(O){1|N<3>,2|N<2>}	N[5](C[5]C[5]N)(O[5]N[5]){1|C<3>,1|O<1>}	108.1290	0.397	2	108.1290	0.158	2	107.7897	0.304	49	108.1612	0.704	67	108.1612	0.704	67	108.1612	0.704	67
976	542	960	5:SP2_SP2_SP2	O[5]	N[5]	N[5]	3:2:	3:2:1:	3:2:	N[5]-3:N[5]-2:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5a]C[5])(O[5]N[5])(O)	N[5](C[5]C[5a]C[5])(O[5]N[5])	O[5](N[5]C[5]O)(N[5]C[5]){2|C<3>}	N[5](C[5]C[5a]C[5])(O[5]N[5])(O){1|C<3>,1|N<2>,1|N<3>}	N[5](C[5]C[5a]C[5])(O[5]N[5]){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	108.2253	0.304	3	108.1873	0.061	6	107.7897	0.304	49	108.1612	0.704	67	108.1612	0.704	67	108.1612	0.704	67
976	542	960	5:SP2_SP2_SP2	O[5]	N[5]	N[5]	3:2:	3:2:1:	3:2:	N[5]-3:N[5]-2:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5a]C[5])(O[5]N[5])(O)	N[5](C[5]C[5a]C[5])(O[5]N[5])	O[5](N[5]C[5]O)(N[5]C[5]){2|C<3>}	N[5](C[5]C[5a]C[5])(O[5]N[5])(O){1|N<2>,2|C<3>}	N[5](C[5]C[5a]C[5])(O[5]N[5]){1|N<2>,1|O<1>,2|C<3>}	108.1493	0.238	3	108.1873	0.061	6	107.7897	0.304	49	108.1612	0.704	67	108.1612	0.704	67	108.1612	0.704	67
976	542	960	5:SP2_SP2_SP2	O[5]	N[5]	N[5]	3:2:	3:2:1:	3:2:	N[5]-3:N[5]-2:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[6a]C[5])(O[5]N[5])(O)	N[5](C[5]C[5]C)(O[5]N[5])	O[5](N[5]C[5]O)(N[5]C[5]){1|C<2>,1|C<3>}	N[5](C[5]C[6a]C[5])(O[5]N[5])(O){1|C<2>,2|C<3>}	N[5](C[5]C[5]C)(O[5]N[5]){1|C<3>,1|O<1>}	107.9370	0.000	1	107.9370	0.000	1	107.7897	0.304	49	108.1612	0.704	67	108.1612	0.704	67	108.1612	0.704	67
976	542	960	5:SP2_SP2_SP2	O[5]	N[5]	N[5]	3:2:	3:2:1:	3:2:	N[5]-3:N[5]-2:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[6a]C[5])(O[5]N[5])(O)	N[5](C[5]C[5]Cl)(O[5]N[5])	O[5](N[5]C[5]O)(N[5]C[5]){1|Cl<1>,1|C<3>}	N[5](C[5]C[6a]C[5])(O[5]N[5])(O){1|Cl<1>,2|C<3>}	N[5](C[5]C[5]Cl)(O[5]N[5]){1|C<3>,1|O<1>}	107.6660	0.000	1	107.6660	0.000	1	107.7897	0.304	49	108.1612	0.704	67	108.1612	0.704	67	108.1612	0.704	67
976	542	960	5:SP2_SP2_SP2	O[5]	N[5]	N[5]	3:2:	3:2:1:	3:2:	N[5]-3:N[5]-2:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[6a]C[5])(O[5]N[5])(O)	N[5](C[5]C[5a]C[5])(O[5]N[5])	O[5](N[5]C[5]O)(N[5]C[5]){2|C<3>}	N[5](C[5]C[6a]C[5])(O[5]N[5])(O){3|C<3>}	N[5](C[5]C[5a]C[5])(O[5]N[5]){1|N<2>,1|O<1>,2|C<3>}	108.4957	0.832	3	108.4957	0.693	3	107.7897	0.304	49	108.1612	0.704	67	108.1612	0.704	67	108.1612	0.704	67
976	542	960	5:SP2_SP2_SP2	O[5]	N[5]	N[5]	3:2:	3:2:1:	3:2:	N[5]-3:N[5]-2:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[6a]C[5])(O[5]N[5])(O)	N[5](C[5]C[6a]C[5])(O[5]N[5])	O[5](N[5]C[5]O)(N[5]C[5]){2|C<3>}	N[5](C[5]C[6a]C[5])(O[5]N[5])(O){1|N<2>,2|C<3>}	N[5](C[5]C[6a]C[5])(O[5]N[5]){1|O<1>,3|C<3>}	107.4230	0.000	1	108.2965	1.526	2	107.7897	0.304	49	108.1612	0.704	67	108.1612	0.704	67	108.1612	0.704	67
976	542	960	5:SP2_SP2_SP2	O[5]	N[5]	N[5]	3:2:	3:2:1:	3:2:	N[5]-3:N[5]-2:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:	O[5](N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[6a]C[5])(O[5]N[5])(O)	N[5](C[5]C[6a]C[5])(O[5]N[5])	O[5](N[5]C[5]O)(N[5]C[5]){2|C<3>}	N[5](C[5]C[6a]C[5])(O[5]N[5])(O){3|C<3>}	N[5](C[5]C[6a]C[5])(O[5]N[5]){1|O<1>,3|C<3>}	109.1700	0.000	1	108.2965	1.526	2	107.7897	0.304	49	108.1612	0.704	67	108.1612	0.704	67	108.1612	0.704	67
976	542	960	5:SP2_SP2_SP2	O[5]	N[5]	N[5]	3:2:	3:2:1:	3:2:	N[5]-3:N[5]-2:	C[5]-3:O[5]-2:O-1:	N[5]-3:O[5]-2:	O[5](N[5]C[5]O)(N[5]N[5])	N[5](C[5]C[6a]N[5])(O[5]N[5])(O)	N[5](N[5]C[5a]C[5])(O[5]N[5])	O[5](N[5]C[5]O)(N[5]N[5]){2|C<3>}	N[5](C[5]C[6a]N[5])(O[5]N[5])(O){3|C<3>}	N[5](N[5]C[5a]C[5])(O[5]N[5]){1|N<2>,1|O<1>,2|C<3>}	107.1100	0.000	1	107.1100	0.000	1	107.1100	0.000	1	108.1612	0.704	67	108.1612	0.704	67	108.1612	0.704	67
976	562	562	5:SP3_SP3_SP3	O[5,5]	Si[5,5,6]	Si[5,5,6]	4:4:	2:3:3:4:	2:3:3:4:	Si[5,5,6]-4:Si[5,5,6]-4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	O[5,5](Si[5,5,6]C[5,6]2C)2	Si[5,5,6](O[5,5]Si[5,5,6])(C[5,6]C[5,6]Si)2(CH3)	Si[5,5,6](O[5,5]Si[5,5,6])(C[5,6]C[5,6]Si)2(CH3)	O[5,5](Si[5,5,6]C[5,6]2C)2{4|Si<4>}	Si[5,5,6](O[5,5]Si[5,5,6])(C[5,6]C[5,6]Si)2(CH3){2|Si<4>,1|C<4>}	Si[5,5,6](O[5,5]Si[5,5,6])(C[5,6]C[5,6]Si)2(CH3){2|Si<4>,1|C<4>}	98.5791	0.000	1	98.5791	0.000	1	98.5791	0.000	1	98.5791	0.000	1	98.5791	0.000	1	117.4003	52.135	12
976	562	562	5:SP3_SP3_SP3	O[5]	Si[5,6]	Si[5]	4:4:	4:2:2:2:	4:2:4:4:	Si[5,6]-4:Si[5]-4:	C[5,6,6]-4:N[6]-2:O[5]-2:N-2:	C[5,6]-4:O[5]-2:C-4:C-4:	O[5](Si[5,6]C[5,6,6]N[6]N)(Si[5]C[5,6]CC)	Si[5,6](C[5,6,6]C[5,6]C[6,6]C)(N[6]C[5,6])(O[5]Si[5])(NC[5])	Si[5](C[5,6]C[5,6,6]C[6]H)(O[5]Si[5,6])(CH3)2	O[5](Si[5,6]C[5,6,6]N[6]N)(Si[5]C[5,6]CC){1|C<4>,1|H<1>,3|C<3>}	Si[5,6](C[5,6,6]C[5,6]C[6,6]C)(N[6]C[5,6])(O[5]Si[5])(NC[5]){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	Si[5](C[5,6]C[5,6,6]C[6]H)(O[5]Si[5,6])(CH3)2{1|C<4>,1|H<1>,2|C<3>,2|N<2>}	116.0060	0.000	1	116.0060	0.000	1	116.0060	0.000	1	116.0060	0.000	1	116.0060	0.000	1	117.4003	52.135	12
976	562	562	5:SP3_SP3_SP3	O[5]	Si[5]	Si[5]	4:4:	3:2:4:4:	3:2:4:4:	Si[5]-4:Si[5]-4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:O[5]-2:C-4:C-4:	O[5](Si[5]C[5,6a]CC)2	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2	O[5](Si[5]C[5,6a]CC)2{2|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2{1|H<1>,2|C<3>,2|C<4>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2{1|H<1>,2|C<3>,2|C<4>}	118.1778	0.160	6	117.9196	0.488	7	117.9196	0.488	7	119.6672	24.853	8	119.4219	19.604	10	117.4003	52.135	12
976	562	562	5:SP3_SP3_SP3	O[5]	Si[5]	Si[5]	4:4:	3:2:4:4:	3:2:4:4:	Si[5]-4:Si[5]-4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:O[5]-2:C-4:C-4:	O[5](Si[5]C[5,6a]CC)2	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2	O[5](Si[5]C[5,6a]CC)2{2|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2{1|Si<4>,2|C<3>,2|C<4>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(CH3)2{1|H<1>,2|C<3>,2|C<4>}	116.3700	0.000	1	117.9196	0.488	7	117.9196	0.488	7	119.6672	24.853	8	119.4219	19.604	10	117.4003	52.135	12
976	562	562	5:SP3_SP3_SP3	O[5]	Si[5]	Si[5]	4:4:	3:2:4:4:	3:2:4:4:	Si[5]-4:Si[5]-4:	P[5,6]-3:O[5]-2:C-4:C-4:	P[5,6]-3:O[5]-2:C-4:C-4:	O[5](Si[5]P[5,6]CC)2	Si[5](P[5,6]P[5,6]P[6,6])(O[5]Si[5])(CCCH)2	Si[5](P[5,6]P[5,6]Si[6])(O[5]Si[5])(CCCH)2	O[5](Si[5]P[5,6]CC)2{1|Si<4>,1|P<3>}	Si[5](P[5,6]P[5,6]P[6,6])(O[5]Si[5])(CCCH)2{3|Si<4>,2|C<4>}	Si[5](P[5,6]P[5,6]Si[6])(O[5]Si[5])(CCCH)2{2|P<3>,4|C<4>}	131.9010	0.000	1	131.9010	0.000	1	131.9010	0.000	1	119.6672	24.853	8	119.4219	19.604	10	117.4003	52.135	12
976	562	562	5:SP3_SP3_SP3	O[5]	Si[5]	Si[5]	4:4:	4:2:4:4:	4:2:4:4:	Si[5]-4:Si[5]-4:	C[5,5,6]-4:O[5]-2:C-4:C-4:	C[5,5,6]-4:O[5]-2:C-4:C-4:	O[5](Si[5]C[5,5,6]CC)2	Si[5](C[5,5,6]C[5,5,6]2H)(O[5]Si[5])(CH3)2	Si[5](C[5,5,6]C[5,5,6]2H)(O[5]Si[5])(CH3)2	O[5](Si[5]C[5,5,6]CC)2{2|C<4>,2|H<1>}	Si[5](C[5,5,6]C[5,5,6]2H)(O[5]Si[5])(CH3)2{2|H<1>,5|C<4>}	Si[5](C[5,5,6]C[5,5,6]2H)(O[5]Si[5])(CH3)2{2|H<1>,5|C<4>}	118.2750	0.000	1	118.2750	0.000	1	118.2750	0.000	1	118.4405	0.055	2	119.4219	19.604	10	117.4003	52.135	12
976	562	562	5:SP3_SP3_SP3	O[5]	Si[5]	Si[5]	4:4:	4:2:4:4:	4:2:4:4:	Si[5]-4:Si[5]-4:	C[5,5]-4:O[5]-2:C-4:C-4:	C[5,5]-4:O[5]-2:C-4:C-4:	O[5](Si[5]C[5,5]CC)2	Si[5](C[5,5]C[5,5]C[5]Ni)(O[5]Si[5])(CCCH)2	Si[5](C[5,5]C[5,5]C[5]Ni)(O[5]Si[5])(CCCH)2	O[5](Si[5]C[5,5]CC)2{1|Ni<10>,2|C<4>}	Si[5](C[5,5]C[5,5]C[5]Ni)(O[5]Si[5])(CCCH)2{1|H<1>,4|C<4>}	Si[5](C[5,5]C[5,5]C[5]Ni)(O[5]Si[5])(CCCH)2{1|H<1>,4|C<4>}	118.6060	0.000	1	118.6060	0.000	1	118.6060	0.000	1	118.4405	0.055	2	119.4219	19.604	10	117.4003	52.135	12
976	562	727	5:SP2_SP2_SP3	O[5]	Si[5]	C[5,6a]	3:4:	3:2:2:4:	3:3:2:	C[5,6a]-3:Si[5]-4:	N[5,6]-3:O[5]-2:O-2:C-4:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6,6a]C[6a])(Si[5]N[5,6]CO)	Si[5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(OC[6a])(CCHH)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[5])	O[5](C[5,6a]C[5,6,6a]C[6a])(Si[5]N[5,6]CO){1|C<4>,1|H<1>,2|C<3>}	Si[5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(OC[6a])(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[5]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	113.7900	0.000	1	113.7900	0.000	1	113.7900	0.000	1	113.7900	0.000	1	114.6340	0.590	3	114.6340	0.590	3
976	562	727	5:SP2_SP2_SP3	O[5]	Si[5]	C[5,6a]	3:4:	3:2:4:4:	3:3:2:	C[5,6a]-3:Si[5]-4:	N[5]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CC)	Si[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]Si[5])	O[5](C[5,6a]C[5,6a]C[6a])(Si[5]N[5]CC){1|H<1>,3|C<3>}	Si[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2{2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]Si[5]){2|C<3>,2|C<4>,2|H<1>}	115.2930	0.000	1	115.2930	0.000	1	115.2930	0.000	1	115.2930	0.000	1	114.6340	0.590	3	114.6340	0.590	3
976	562	727	5:SP2_SP2_SP3	O[5]	Si[5]	C[5,6a]	3:4:	3:3:3:2:	3:3:2:	C[5,6a]-3:Si[5]-4:	N[5]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]2N[5])	Si[5](N[5]C[5,6a]C)(C[6a]C[6a]2)2(O[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]Si[5])	O[5](C[5,6a]C[5,6a]C[6a])(Si[5]C[6a]2N[5]){1|H<1>,7|C<3>}	Si[5](N[5]C[5,6a]C)(C[6a]C[6a]2)2(O[5]C[5,6a]){4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]Si[5]){2|H<1>,4|C<3>}	114.8190	0.000	1	114.8190	0.000	1	114.8190	0.000	1	114.8190	0.000	1	114.6340	0.590	3	114.6340	0.590	3
976	562	786	5:SP3_SP3_SP3	O[5]	Si[5]	B[5,5]	4:4:	3:2:4:4:	3:3:2:2:	B[5,5]-4:Si[5]-4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:	O[5](B[5,5]C[5,6a]2O[5])(Si[5]C[5,6a]CC)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5,5])(CH3)2	B[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]Si[5])2	O[5](B[5,5]C[5,6a]2O[5])(Si[5]C[5,6a]CC){1|Si<4>,4|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5,5])(CH3)2{1|F<1>,1|O<2>,3|C<3>}	B[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]Si[5])2{2|H<1>,4|C<3>,4|C<4>}	115.6465	0.019	2	115.6465	0.000	2	115.6465	0.000	2	115.6465	0.000	2	115.0872	0.427	4	114.9812	0.284	6
976	562	786	5:SP3_SP3_SP3	O[5]	Si[5]	B[5,5]	4:4:	3:2:4:4:	3:4:2:2:	B[5,5]-4:Si[5]-4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:N[5]-4:O[5]-2:O[5]-2:	O[5](B[5,5]C[5,6a]N[5]O[5])(Si[5]C[5,6a]CC)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5,5])(CH3)2	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[5]Si[5])(O[5]C[5])	O[5](B[5,5]C[5,6a]N[5]O[5])(Si[5]C[5,6a]CC){2|C<3>,4|C<4>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5,5])(CH3)2{1|H<1>,1|N<4>,1|O<2>,2|C<3>}	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]CC)(O[5]Si[5])(O[5]C[5]){2|C<3>,2|C<4>,5|H<1>}	114.5280	0.171	2	114.5280	0.029	2	114.5280	0.029	2	114.5280	0.029	2	115.0872	0.427	4	114.9812	0.284	6
976	562	786	5:SP3_SP3_SP3	O[5]	Si[5]	B[5]	4:4:	3:2:4:4:	3:3:3:2:	B[5]-4:Si[5]-4:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	O[5](B[5]C[5,6a]C[6a]2)(Si[5]C[5,6a]CC)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CH3)2	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]Si[5])	O[5](B[5]C[5,6a]C[6a]2)(Si[5]C[5,6a]CC){6|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CH3)2{1|H<1>,4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]Si[5]){1|H<1>,6|C<3>,6|C<4>}	114.7690	0.082	2	114.7690	0.007	2	114.7690	0.007	2	114.7690	0.007	2	114.7690	0.007	2	114.9812	0.284	6
976	562	818	5:SP2_SP2_SP3	O[5]	Si[5,5]	C[5]	4:3:	4:4:4:2:	3:3:2:	Si[5,5]-4:C[5]-3:	C[5,6]-4:C[5]-4:C[5]-4:O[5]-2:	C[5,6]-3:C[6a]-3:O[5]-2:	O[5](Si[5,5]C[5,6]C[5]2)(C[5]C[5,6]C[6a])	Si[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]Si2)2(O[5]C[5])	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]Si[5,5])	O[5](Si[5,5]C[5,6]C[5]2)(C[5]C[5,6]C[6a]){4|Si<4>,1|H<1>,2|C<4>,4|C<3>}	Si[5,5](C[5,6]C[5,6]C[6]H)(C[5]C[5]Si2)2(O[5]C[5]){3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]Si[5,5]){2|C<4>,4|C<3>,4|H<1>}	113.3710	0.000	1	113.3710	0.000	1	113.3710	0.000	1	113.3710	0.000	1	113.3710	0.000	1	112.5307	3.688	21
976	562	818	5:SP2_SP2_SP3	O[5]	Si[5,6]	C[5]	4:3:	3:3:3:2:	2:2:2:	Si[5,6]-4:C[5]-3:	N[6]-3:N[6]-3:N[5]-3:O[5]-2:	O[5]-2:N[5]-2:O-2:	O[5](Si[5,6]N[5]N[6]2)(C[5]N[5]O)	Si[5,6](N[6]C[6a]C[6])2(N[5]N[5]C)(O[5]C[5])	C[5](O[5]Si[5,6])(N[5]N[5])(OC)	O[5](Si[5,6]N[5]N[6]2)(C[5]N[5]O){5|C<3>}	Si[5,6](N[6]C[6a]C[6])2(N[5]N[5]C)(O[5]C[5]){1|C<4>,1|O<2>,6|C<3>}	C[5](O[5]Si[5,6])(N[5]N[5])(OC){1|C<3>,2|N<3>}	109.3120	0.000	1	109.3120	0.000	1	109.3120	0.000	1	109.3120	0.000	1	111.4778	3.133	4	112.5307	3.688	21
976	562	818	5:SP2_SP2_SP3	O[5]	Si[5,6]	C[5]	4:3:	3:3:3:2:	3:3:2:	Si[5,6]-4:C[5]-3:	N[5,6]-3:N[6]-3:N[6]-3:O[5]-2:	C[5,6]-3:C[6a]-3:O[5]-2:	O[5](Si[5,6]N[5,6]N[6]2)(C[5]C[5,6]C[6a])	Si[5,6](N[5,6]C[5,6]C[6])(N[6]C[6a]C[6])2(O[5]C[5])	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(O[5]Si[5,6])	O[5](Si[5,6]N[5,6]N[6]2)(C[5]C[5,6]C[6a]){8|C<3>}	Si[5,6](N[5,6]C[5,6]C[6])(N[6]C[6a]C[6])2(O[5]C[5]){1|C<4>,1|H<1>,9|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[6a]C[6a]2)(O[5]Si[5,6]){2|N<3>,3|H<1>,4|C<3>}	113.6320	0.000	1	113.6320	0.000	1	113.6320	0.000	1	113.6320	0.000	1	111.4778	3.133	4	112.5307	3.688	21
976	562	818	5:SP2_SP2_SP3	O[5]	Si[5,6]	C[5]	4:3:	3:4:2:2:	2:2:4:	Si[5,6]-4:C[5]-3:	N[5,6]-3:C[6]-4:O[5]-2:O-2:	O[5]-2:N[5]-2:C-4:	O[5](Si[5,6]N[5,6]C[6]O)(C[5]N[5]C)	Si[5,6](N[5,6]C[6]N[5])(C[6]C[6]HH)(O[5]C[5])(OC)	C[5](O[5]Si[5,6])(N[5]N[5,6])(CH3)	O[5](Si[5,6]N[5,6]C[6]O)(C[5]N[5]C){2|C<4>,2|H<1>}	Si[5,6](N[5,6]C[6]N[5])(C[6]C[6]HH)(O[5]C[5])(OC){1|C<3>,2|C<4>,3|H<1>}	C[5](O[5]Si[5,6])(N[5]N[5,6])(CH3){1|O<2>,2|C<4>}	111.4835	0.261	2	111.4835	0.068	2	111.4835	0.068	2	111.4835	0.068	2	111.4778	3.133	4	112.5307	3.688	21
976	562	818	5:SP2_SP2_SP3	O[5]	Si[5]	C[5,6]	3:4:	2:2:4:4:	3:3:2:	C[5,6]-3:Si[5]-4:	O[5]-2:O[5]-2:C-4:C-4:	C[5,6]-3:C[6]-3:O[5]-2:	O[5](C[5,6]C[5,6]C[6])(Si[5]O[5]CC)	Si[5](O[5]C[5,6])2(CH3)2	C[5,6](C[5,6]C[6]O[5])(C[6]C[6a]C[6])(O[5]Si[5])	O[5](C[5,6]C[5,6]C[6])(Si[5]O[5]CC){1|C<4>,2|C<3>}	Si[5](O[5]C[5,6])2(CH3)2{2|C<3>}	C[5,6](C[5,6]C[6]O[5])(C[6]C[6a]C[6])(O[5]Si[5]){1|Mo<7>,1|H<1>,3|C<3>,3|C<4>}	108.7220	0.147	2	108.7220	0.022	2	108.7220	0.022	2	108.7220	0.022	2	112.5606	5.381	9	112.5307	3.688	21
976	562	818	5:SP2_SP2_SP3	O[5]	Si[5]	C[5,6]	3:4:	4:2:4:4:	3:3:2:	C[5,6]-3:Si[5]-4:	C[5]-4:O[5]-2:C-4:C-4:	N[5,6]-3:C[6]-3:O[5]-2:	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CC)	Si[5](C[5]N[5,6]N[6a]H)(O[5]C[5,6])(CH3)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]Si[5])	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CC){1|N<3>,2|C<3>,2|H<1>}	Si[5](C[5]N[5,6]N[6a]H)(O[5]C[5,6])(CH3)2{4|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]H)(O[5]Si[5]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	115.4900	0.000	1	115.4900	0.000	1	115.4900	0.000	1	115.4900	0.000	1	112.5606	5.381	9	112.5307	3.688	21
976	562	818	5:SP2_SP2_SP3	O[5]	Si[5]	C[5,6]	3:4:	4:2:4:4:	3:4:2:	C[5,6]-3:Si[5]-4:	C[5]-4:O[5]-2:C-4:C-4:	N[5,6]-3:C[6]-4:O[5]-2:	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CC)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]Si[5])	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CC){1|C<3>,1|C<4>,4|H<1>}	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2{1|C<3>,1|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]Si[5]){1|O<1>,3|C<4>,4|H<1>}	113.7060	0.000	2	113.7060	0.000	2	113.2588	0.327	4	113.2588	0.327	4	112.5606	5.381	9	112.5307	3.688	21
976	562	818	5:SP2_SP2_SP3	O[5]	Si[5]	C[5,6]	3:4:	4:2:4:4:	3:4:2:	C[5,6]-3:Si[5]-4:	C[5]-4:O[5]-2:C-4:C-4:	N[5,6]-3:C[6]-4:O[5]-2:	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CC)	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]HH)(O[5]Si[5])	O[5](C[5,6]N[5,6]C[6])(Si[5]C[5]CC){1|C<4>,1|N<3>,4|H<1>}	Si[5](C[5]N[5,6]HH)(O[5]C[5,6])(CH3)2{2|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]HH)(O[5]Si[5]){1|C<3>,3|C<4>,4|H<1>}	112.8115	0.424	2	112.8115	0.179	2	113.2588	0.327	4	113.2588	0.327	4	112.5606	5.381	9	112.5307	3.688	21
976	562	818	5:SP2_SP2_SP3	O[5]	Si[5]	C[5,6]	3:4:	4:2:4:4:	4:3:2:	C[5,6]-3:Si[5]-4:	C[5]-4:O[5]-2:C-4:C-4:	C[5,6]-4:C[6]-3:O[5]-2:	O[5](C[5,6]C[5,6]C[6])(Si[5]C[5]CC)	Si[5](C[5]C[5,6]CH)(O[5]C[5,6])(CC3)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(O[5]Si[5])	O[5](C[5,6]C[5,6]C[6])(Si[5]C[5]CC){1|C<3>,2|H<1>,3|C<4>}	Si[5](C[5]C[5,6]CH)(O[5]C[5,6])(CC3)2{1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(O[5]Si[5]){2|C<3>,4|H<1>,5|C<4>}	113.2740	0.000	1	113.5380	0.139	2	113.5380	0.139	2	113.5380	0.139	2	112.5606	5.381	9	112.5307	3.688	21
976	562	818	5:SP2_SP2_SP3	O[5]	Si[5]	C[5,6]	3:4:	4:2:4:4:	4:3:2:	C[5,6]-3:Si[5]-4:	C[5]-4:O[5]-2:C-4:C-4:	C[5,6]-4:C[6]-3:O[5]-2:	O[5](C[5,6]C[5,6]C[6])(Si[5]C[5]CC)	Si[5](C[5]C[5,6]CH)(O[5]C[5,6])(CC3)2	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(O[5]Si[5])	O[5](C[5,6]C[5,6]C[6])(Si[5]C[5]CC){1|C<3>,2|H<1>,3|C<4>}	Si[5](C[5]C[5,6]CH)(O[5]C[5,6])(CC3)2{1|C<3>,1|C<4>,1|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(O[5]Si[5]){3|C<3>,4|C<4>,4|H<1>}	113.8020	0.000	1	113.5380	0.139	2	113.5380	0.139	2	113.5380	0.139	2	112.5606	5.381	9	112.5307	3.688	21
976	562	818	5:SP2_SP2_SP3	O[5]	Si[5]	C[5]	3:4:	3:2:3:2:	3:3:2:	C[5]-3:Si[5]-4:	N[5]-3:O[5]-2:N-3:N-2:	C[5]-3:C[6a]-3:O[5]-2:	O[5](C[5]C[6a]C[5])(Si[5]N[5]NN)	Si[5](N[5]C[5]C)(O[5]C[5])(NSiC)(NSi)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]Si[5])	O[5](C[5]C[6a]C[5])(Si[5]N[5]NN){1|C<4>,3|C<3>}	Si[5](N[5]C[5]C)(O[5]C[5])(NSiC)(NSi){2|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]Si[5]){1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	111.6480	0.000	1	111.6480	0.000	1	111.6480	0.000	1	111.6480	0.000	1	112.9740	2.465	7	112.5307	3.688	21
976	562	818	5:SP2_SP2_SP3	O[5]	Si[5]	C[5]	3:4:	3:2:3:3:	3:3:2:	C[5]-3:Si[5]-4:	N[5]-3:O[5]-2:N-3:N-3:	C[5]-3:C[6a]-3:O[5]-2:	O[5](C[5]C[6a]C[5])(Si[5]N[5]NN)	Si[5](N[5]C[5]C)(O[5]C[5])(NSiC)(NSiH)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]Si[5])	O[5](C[5]C[6a]C[5])(Si[5]N[5]NN){1|C<4>,3|C<3>}	Si[5](N[5]C[5]C)(O[5]C[5])(NSiC)(NSiH){2|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(O[5]Si[5]){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	112.1070	0.000	1	112.1070	0.000	1	112.1070	0.000	1	112.1070	0.000	1	112.9740	2.465	7	112.5307	3.688	21
976	562	818	5:SP2_SP2_SP3	O[5]	Si[5]	C[5]	4:3:	3:2:4:2:	2:2:4:	Si[5]-4:C[5]-3:	N[5]-3:O[5]-2:C-4:O-2:	O[5]-2:N[5]-2:C-4:	O[5](Si[5]N[5]CO)(C[5]N[5]C)	Si[5](N[5]N[5]C)(O[5]C[5])(CH3)(OC)	C[5](O[5]Si[5])(N[5]N[5])(CH3)	O[5](Si[5]N[5]CO)(C[5]N[5]C){1|C<4>}	Si[5](N[5]N[5]C)(O[5]C[5])(CH3)(OC){1|C<4>}	C[5](O[5]Si[5])(N[5]N[5])(CH3){1|O<2>,2|C<4>}	111.0470	0.000	1	111.0470	0.000	1	111.0470	0.000	1	111.0470	0.000	1	112.9740	2.465	7	112.5307	3.688	21
976	562	818	5:SP2_SP2_SP3	O[5]	Si[5]	C[5]	4:3:	3:2:4:4:	3:2:1:	Si[5]-4:C[5]-3:	C[5,6a]-3:O[5]-2:C-4:C-4:	C[5,6a]-3:O[5]-2:O-1:	O[5](Si[5]C[5,6a]CC)(C[5]C[5,6a]O)	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(O)	O[5](Si[5]C[5,6a]CC)(C[5]C[5,6a]O){2|C<3>}	Si[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CH3)2{1|F<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]Si[5])(O){1|H<1>,2|C<3>,2|C<4>}	115.7910	0.000	1	115.7910	0.000	1	115.7910	0.000	1	115.7910	0.000	1	112.9740	2.465	7	112.5307	3.688	21
976	562	818	5:SP2_SP2_SP3	O[5]	Si[5]	C[5]	4:3:	4:2:4:4:	3:2:4:	Si[5]-4:C[5]-3:	C[5]-4:O[5]-2:C-4:C-4:	N[5]-3:O[5]-2:C-4:	O[5](Si[5]C[5]CC)(C[5]N[5]C)	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2	C[5](N[5]C[5]C)(O[5]Si[5])(CH3)	O[5](Si[5]C[5]CC)(C[5]N[5]C){1|C<4>,2|H<1>}	Si[5](C[5]N[5]HH)(O[5]C[5])(CH3)2{2|C<4>}	C[5](N[5]C[5]C)(O[5]Si[5])(CH3){2|C<4>,2|H<1>}	113.4700	0.000	1	113.4700	0.000	1	113.4700	0.000	1	113.4083	0.031	3	112.9740	2.465	7	112.5307	3.688	21
976	562	818	5:SP2_SP2_SP3	O[5]	Si[5]	C[5]	4:3:	4:2:4:4:	3:2:4:	Si[5]-4:C[5]-3:	C[5]-4:O[5]-2:Si-4:Si-4:	N[5]-3:O[5]-2:C-4:	O[5](Si[5]C[5]Si2)(C[5]N[5]C)	Si[5](C[5]N[5]HH)(O[5]C[5])(SiC3)2	C[5](N[5]C[5]C)(O[5]Si[5])(CH3)	O[5](Si[5]C[5]Si2)(C[5]N[5]C){1|C<4>,2|H<1>}	Si[5](C[5]N[5]HH)(O[5]C[5])(SiC3)2{2|C<4>}	C[5](N[5]C[5]C)(O[5]Si[5])(CH3){2|Si<4>,2|H<1>}	113.3775	0.238	2	113.3775	0.057	2	113.3775	0.057	2	113.4083	0.031	3	112.9740	2.465	7	112.5307	3.688	21
976	578	727	5:SP2_SP2_SPD6	O[5]	Ga[3x5]	C[5,6a]	3:6:	2:2:2:2:2:2:	3:3:2:	C[5,6a]-3:Ga[3x5]-6:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(Ga[3x5]O[5]5)	Ga[3x5](O[5]C[5,6a])6	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]Ga[3x5])	O[5](C[5,6a]C[5,6a]C[6a])(Ga[3x5]O[5]5){1|C<4>,6|C<3>}	Ga[3x5](O[5]C[5,6a])6{6|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]Ga[3x5]){1|C<3>,2|H<1>,4|O<2>}	112.3947	0.452	6	112.3947	0.204	6	112.2762	0.352	12	112.2762	0.352	12	113.0273	1.787	18	113.0273	1.787	18
976	578	727	5:SP2_SP2_SPD6	O[5]	Ga[3x5]	C[5,6a]	3:6:	2:2:2:2:2:2:	3:3:2:	C[5,6a]-3:Ga[3x5]-6:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(Ga[3x5]O[5]5)	Ga[3x5](O[5]C[5,6a])6	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Ga[3x5])	O[5](C[5,6a]C[5,6a]C[6a])(Ga[3x5]O[5]5){1|H<1>,6|C<3>}	Ga[3x5](O[5]C[5,6a])6{6|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Ga[3x5]){1|C<3>,2|C<4>,4|O<2>}	112.1577	0.733	6	112.1577	0.537	6	112.2762	0.352	12	112.2762	0.352	12	113.0273	1.787	18	113.0273	1.787	18
976	578	727	5:SP2_SP2_SPD6	O[5]	Ga[3x5]	C[5,6a]	3:6:	3:3:3:2:2:2:	3:3:2:	C[5,6a]-3:Ga[3x5]-6:	N[5,6]-3:N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:O[5]-2:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6,6a]C[6a])(Ga[3x5]N[5,6]3O[5]2)	Ga[3x5](N[5,6]C[5,6,6a]C[6])3(O[5]C[5,6a])3	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ga[3x5])	O[5](C[5,6a]C[5,6,6a]C[6a])(Ga[3x5]N[5,6]3O[5]2){1|H<1>,9|C<3>}	Ga[3x5](N[5,6]C[5,6,6a]C[6])3(O[5]C[5,6a])3{3|H<1>,9|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Ga[3x5]){1|H<1>,2|N<3>,2|O<2>,3|C<3>}	114.8250	1.447	3	114.8250	2.093	3	114.8250	2.093	3	114.5297	1.239	6	113.0273	1.787	18	113.0273	1.787	18
976	578	727	5:SP2_SP2_SPD6	O[5]	Ga[3x5]	C[5,6a]	3:6:	3:3:3:2:2:2:	3:3:2:	C[5,6a]-3:Ga[3x5]-6:	N[5]-3:N[5]-3:N[5]-3:O[5]-2:O[5]-2:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(Ga[3x5]N[5]3O[5]2)	Ga[3x5](N[5]C[5,6a]C[6a])3(O[5]C[5,6a])3	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]Ga[3x5])	O[5](C[5,6a]C[5,6a]C[6a])(Ga[3x5]N[5]3O[5]2){1|C<4>,9|C<3>}	Ga[3x5](N[5]C[5,6a]C[6a])3(O[5]C[5,6a])3{12|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]Ga[3x5]){2|C<3>,2|H<1>,2|N<3>,2|O<2>}	114.2343	0.861	3	114.2343	0.742	3	114.2343	0.742	3	114.5297	1.239	6	113.0273	1.787	18	113.0273	1.787	18
976	578	818	5:SP2_SP2_SPD6	O[5]	Ga[3x5,3x6]	C[5]	6:3:	4:4:4:2:2:2:	2:4:1:	Ga[3x5,3x6]-6:C[5]-3:	N[5,6,6]-4:N[5,6,6]-4:N[5,6,6]-4:O[5]-2:O[5]-2:O[5]-2:	O[5]-2:C[5]-4:O-1:	O[5](Ga[3x5,3x6]N[5,6,6]3O[5]2)(C[5]C[5]O)	Ga[3x5,3x6](N[5,6,6]C[3x6]C[5]H)3(O[5]C[5])3	C[5](O[5]Ga[3x5,3x6])(C[5]N[5,6,6]HH)(O)	O[5](Ga[3x5,3x6]N[5,6,6]3O[5]2)(C[5]C[5]O){2|C<3>,5|C<4>,5|H<1>}	Ga[3x5,3x6](N[5,6,6]C[3x6]C[5]H)3(O[5]C[5])3{3|C<4>,3|O<1>,9|H<1>}	C[5](O[5]Ga[3x5,3x6])(C[5]N[5,6,6]HH)(O){1|C<4>,1|H<1>,2|N<4>,2|O<2>}	117.9160	0.000	1	117.9160	0.000	1	117.9160	0.000	1	117.9160	0.000	1	117.9160	0.000	1	116.0833	8.453	13
976	578	818	5:SP2_SP2_SPD6	O[5]	Ga[3x5]	C[5,6]	6:3:	2:2:2:2:2:2:	3:2:3:	Ga[3x5]-6:C[5,6]-3:	O[5]-2:O[5]-2:O[5]-2:S[5]-2:S[5]-2:S[5]-2:	C[5,6]-3:O[5]-2:C[6]-3:	O[5](Ga[3x5]O[5]2S[5]3)(C[5,6]C[5,6]C[6])	Ga[3x5](O[5]C[5,6])3(S[5]C[5,6])3	C[5,6](C[5,6]C[6]S[5])(O[5]Ga[3x5])(C[6]O[6]C)	O[5](Ga[3x5]O[5]2S[5]3)(C[5,6]C[5,6]C[6]){1|C<4>,1|O<2>,5|C<3>}	Ga[3x5](O[5]C[5,6])3(S[5]C[5,6])3{6|C<3>}	C[5,6](C[5,6]C[6]S[5])(O[5]Ga[3x5])(C[6]O[6]C){1|C<3>,1|H<1>,2|O<2>,2|S<2>}	119.4927	0.635	3	119.4927	0.403	3	119.4927	0.403	3	119.4927	0.403	3	119.4927	0.403	3	116.0833	8.453	13
976	578	818	5:SP2_SP2_SPD6	O[5]	Ga[3x5]	C[5]	6:3:	2:2:2:2:2:2:	2:3:1:	Ga[3x5]-6:C[5]-3:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:	O[5]-2:C[5]-3:O-1:	O[5](Ga[3x5]O[5]5)(C[5]C[5]O)	Ga[3x5](O[5]C[5])6	C[5](O[5]Ga[3x5])(C[5]O[5]O)(O)	O[5](Ga[3x5]O[5]5)(C[5]C[5]O){1|O<1>,4|C<3>}	Ga[3x5](O[5]C[5])6{6|O<1>}	C[5](O[5]Ga[3x5])(C[5]O[5]O)(O){4|O<2>}	113.8583	0.632	3	113.8583	0.400	3	113.8583	0.400	3	113.8583	0.400	3	113.8583	0.400	3	116.0833	8.453	13
976	578	818	5:SP2_SP2_SPD6	O[5]	Ga[4x5]	C[5]	6:3:	4:4:2:2:2:2:	4:2:1:	Ga[4x5]-6:C[5]-3:	N[5,5]-4:N[5,5]-4:O[5]-2:O[5]-2:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](Ga[4x5]N[5,5]2O[5]3)(C[5]C[5]O)	Ga[4x5](N[5,5]C[5]2C)2(O[5]C[5])4	C[5](C[5]N[5,5]HH)(O[5]Ga[4x5])(O)	O[5](Ga[4x5]N[5,5]2O[5]3)(C[5]C[5]O){2|H<1>,3|C<3>,5|C<4>}	Ga[4x5](N[5,5]C[5]2C)2(O[5]C[5])4{4|O<1>,8|H<1>}	C[5](C[5]N[5,5]HH)(O[5]Ga[4x5])(O){1|N<4>,2|C<4>,3|O<2>}	115.4245	0.401	2	115.4245	0.161	2	115.4245	0.161	2	115.4245	0.161	2	115.4245	0.161	2	116.0833	8.453	13
976	578	818	5:SP2_SP2_SPD6	O[5]	Ga[5,5,6,6]	C[5]	6:3:	2:2:2:2:2:2:	4:2:1:	Ga[5,5,6,6]-6:C[5]-3:	O[5,6]-2:O[5,6]-2:O[5]-2:O[5]-2:O[6]-2:O[6]-2:	C[5,6]-4:O[5]-2:O-1:	O[5](Ga[5,5,6,6]O[5,6]2O[5]O[6]2)(C[5]C[5,6]O)	Ga[5,5,6,6](O[5,6]C[5,6])2(O[5]C[5])2(O[6]C[6])2	C[5](C[5,6]O[5,6]C[6]C)(O[5]Ga[5,5,6,6])(O)	O[5](Ga[5,5,6,6]O[5,6]2O[5]O[6]2)(C[5]C[5,6]O){3|C<3>,3|C<4>}	Ga[5,5,6,6](O[5,6]C[5,6])2(O[5]C[5])2(O[6]C[6])2{4|C<4>,4|O<1>}	C[5](C[5,6]O[5,6]C[6]C)(O[5]Ga[5,5,6,6])(O){1|C<3>,2|H<1>,4|O<2>}	109.7450	0.000	1	109.7450	0.000	1	109.7450	0.000	1	109.7450	0.000	1	109.7450	0.000	1	116.0833	8.453	13
976	578	818	5:SP2_SP2_SPD6	O[5]	Ga[5x5]	C[5]	6:3:	3:3:4:3:2:2:	3:2:1:	Ga[5x5]-6:C[5]-3:	N[5,5,6]-3:N[5,5,6]-3:N[5,5]-4:N[5,5]-3:O[5]-2:O[5]-2:	C[5,6]-3:O[5]-2:O-1:	O[5](Ga[5x5]N[5,5,6]2N[5,5]2O[5])(C[5]C[5,6]O)	Ga[5x5](N[5,5,6]C[5,6]2)2(N[5,5]C[5]2H)(N[5,5]C[5]2)(O[5]C[5])2	C[5](C[5,6]N[5,5,6]C[6])(O[5]Ga[5x5])(O)	O[5](Ga[5x5]N[5,5,6]2N[5,5]2O[5])(C[5]C[5,6]O){1|H<1>,4|C<4>,5|C<3>}	Ga[5x5](N[5,5,6]C[5,6]2)2(N[5,5]C[5]2H)(N[5,5]C[5]2)(O[5]C[5])2{2|O<1>,4|C<3>,8|H<1>}	C[5](C[5,6]N[5,5,6]C[6])(O[5]Ga[5x5])(O){1|H<1>,1|N<4>,1|O<2>,2|C<3>,2|N<3>}	117.6300	0.297	2	117.6300	0.088	2	117.6300	0.088	2	117.6300	0.088	2	116.8400	1.916	3	116.0833	8.453	13
976	578	818	5:SP2_SP2_SPD6	O[5]	Ga[5x5]	C[5]	6:3:	4:4:3:3:2:2:	4:2:1:	Ga[5x5]-6:C[5]-3:	N[3x5]-4:N[3x5]-4:N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](Ga[5x5]N[3x5]2N[5,6]2O[5])(C[5]C[5]O)	Ga[5x5](N[3x5]C[5,6]C[5]2)2(N[5,6]C[5,6]C[6])2(O[5]C[5])2	C[5](C[5]N[3x5]HH)(O[5]Ga[5x5])(O)	O[5](Ga[5x5]N[3x5]2N[5,6]2O[5])(C[5]C[5]O){2|H<1>,5|C<3>,5|C<4>}	Ga[5x5](N[3x5]C[5,6]C[5]2)2(N[5,6]C[5,6]C[6])2(O[5]C[5])2{12|H<1>,2|C<4>,2|O<1>,4|C<3>}	C[5](C[5]N[3x5]HH)(O[5]Ga[5x5])(O){1|N<4>,1|O<2>,2|C<4>,2|N<3>}	115.2600	0.000	1	115.2600	0.000	1	115.2600	0.000	1	115.2600	0.000	1	116.8400	1.916	3	116.0833	8.453	13
976	606	818	5:SP2_SP2_SP3	O[5]	Ge[5,5]	C[5]	4:3:	4:4:2:2:	2:3:4:	Ge[5,5]-4:C[5]-3:	Si[5]-4:Si[5]-4:O[5]-2:O[5]-2:	O[5]-2:C[5]-3:C-4:	O[5](Ge[5,5]Si[5]2O[5])(C[5]C[5]C)	Ge[5,5](Si[5]Si[5]Si2)2(O[5]C[5])2	C[5](O[5]Ge[5,5])(C[5]O[5]C)(CH3)	O[5](Ge[5,5]Si[5]2O[5])(C[5]C[5]C){6|Si<4>,1|C<4>}	Ge[5,5](Si[5]Si[5]Si2)2(O[5]C[5])2{6|C<4>}	C[5](O[5]Ge[5,5])(C[5]O[5]C)(CH3){2|Si<4>}	106.1970	0.205	2	106.1970	0.042	2	106.1970	0.042	2	106.1970	0.042	2	106.1970	0.042	2	107.5068	2.891	4
976	606	818	5:SP2_SP2_SP3	O[5]	Ge[5]	C[5]	3:4:	3:2:4:4:	3:3:2:	C[5]-3:Ge[5]-4:	C[5,6]-3:O[5]-2:C-4:C-4:	C[5,6]-3:C[6a]-3:O[5]-2:	O[5](C[5]C[5,6]C[6a])(Ge[5]C[5,6]CC)	Ge[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CSi2H)2	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]Ge[5])	O[5](C[5]C[5,6]C[6a])(Ge[5]C[5,6]CC){1|C<4>,3|C<3>}	Ge[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CSi2H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]Ge[5]){1|D<1>,3|C<3>,3|C<4>,3|H<1>}	109.7570	0.000	1	109.7570	0.000	1	109.7570	0.000	1	109.7570	0.000	1	108.8165	1.769	2	107.5068	2.891	4
976	606	818	5:SP2_SP2_SP3	O[5]	Ge[5]	C[5]	4:3:	4:2:4:2:	3:2:4:	Ge[5]-4:C[5]-3:	C[5]-4:O[5]-2:C-4:O-2:	C[5]-3:O[5]-2:C-4:	O[5](Ge[5]C[5]CO)(C[5]C[5]C)	Ge[5](C[5]C[5]HH)(O[5]C[5])(CSi3)(OC)	C[5](C[5]C[5]H)(O[5]Ge[5])(CCHH)	O[5](Ge[5]C[5]CO)(C[5]C[5]C){3|H<1>}	Ge[5](C[5]C[5]HH)(O[5]C[5])(CSi3)(OC){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(O[5]Ge[5])(CCHH){1|C<4>,1|O<2>,2|H<1>}	107.8760	0.000	1	107.8760	0.000	1	107.8760	0.000	1	107.8760	0.000	1	108.8165	1.769	2	107.5068	2.891	4
976	638	818	5:SP2_SP-NON_SP2	O[5]	I[5,5]	C[5]	3:3:	3:2:2:	3:2:1:	I[5,5]-3:C[5]-3:	C[5,5,6a]-3:O[5]-2:O[5]-2:	C[5,6a]-3:O[5]-2:O-1:	O[5](I[5,5]C[5,5,6a]O[5])(C[5]C[5,6a]O)	I[5,5](C[5,5,6a]C[5,6a]2)(O[5]C[5])2	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]I[5,5])(O)	O[5](I[5,5]C[5,5,6a]O[5])(C[5]C[5,6a]O){3|C<3>}	I[5,5](C[5,5,6a]C[5,6a]2)(O[5]C[5])2{2|C<3>,2|O<1>}	C[5](C[5,6a]C[5,5,6a]C[6a])(O[5]I[5,5])(O){1|H<1>,1|O<2>,2|C<3>}	116.1270	0.593	2	116.1270	0.351	2	116.1270	0.351	2	116.1270	0.351	2	116.1270	0.351	2	115.2624	1.533	5
976	638	818	5:SP2_SP-NON_SP2	O[5]	I[5]	C[5]	3:3:	3:2:2:	3:2:1:	C[5]-3:I[5]-3:	C[5,6a]-3:O[5]-2:C-2:	C[5,6a]-3:O[5]-2:O-1:	O[5](C[5]C[5,6a]O)(I[5]C[5,6a]C)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(O)	O[5](C[5]C[5,6a]O)(I[5]C[5,6a]C){2|C<3>}	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(O){1|C<2>,1|H<1>,2|C<3>}	114.8010	0.000	1	114.8010	0.000	1	114.8010	0.000	1	115.3540	0.612	2	114.6860	1.644	3	115.2624	1.533	5
976	638	818	5:SP2_SP-NON_SP2	O[5]	I[5]	C[5]	3:3:	3:2:2:	3:2:1:	C[5]-3:I[5]-3:	C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:O[5]-2:O-1:	O[5](C[5]C[5,6a]O)(I[5]C[5,6a]O)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC[4])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(O)	O[5](C[5]C[5,6a]O)(I[5]C[5,6a]O){2|C<3>}	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC[4]){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]I[5])(O){1|H<1>,1|O<2>,2|C<3>}	115.9070	0.000	1	115.9070	0.000	1	115.9070	0.000	1	115.3540	0.612	2	114.6860	1.644	3	115.2624	1.533	5
976	638	818	5:SP2_SP-NON_SP2	O[5]	I[5]	C[5]	3:3:	3:2:2:	3:3:2:	C[5]-3:I[5]-3:	C[5,6a]-3:O[5]-2:O-2:	C[5,6a]-3:N[5]-3:O[5]-2:	O[5](C[5]C[5,6a]N[5])(I[5]C[5,6a]O)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O[5]I[5])	O[5](C[5]C[5,6a]N[5])(I[5]C[5,6a]O){2|C<3>,2|C<4>}	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){1|C<4>,1|N<3>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O[5]I[5]){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	113.3500	0.000	1	113.3500	0.000	1	113.3500	0.000	1	113.3500	0.000	1	114.6860	1.644	3	115.2624	1.533	5
976	679	727	5:SP2_SP2_SP3	O[5]	B[5,5a]	C[5,6a]	3:4:	3:2:2:2:	3:3:2:	C[5,6a]-3:B[5,5a]-4:	O[5]-3:O[5a]-2:O[5a]-2:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(B[5,5a]O[5a]2O[5])	B[5,5a](O[5]C[5,6a]Ag)(O[5a]C[5a,6a])2(O[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]B[5,5a])	O[5](C[5,6a]C[5,6a]C[6a])(B[5,5a]O[5a]2O[5]){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[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]B[5,5a]){1|Ag<4>,1|C<3>,2|H<1>,2|O<2>}	106.5430	0.000	1	106.5430	0.000	1	107.9950	3.415	3	107.9950	3.415	3	107.9950	3.415	3	108.4570	3.130	4
976	679	727	5:SP2_SP2_SP3	O[5]	B[5,5a]	C[5,6a]	3:4:	3:2:2:2:	3:3:2:	C[5,6a]-3:B[5,5a]-4:	O[5]-3:O[5a]-2:O[5a]-2:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(B[5,5a]O[5a]2O[5])	B[5,5a](O[5]C[5,6a]Li)(O[5a]C[5a,6a])2(O[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5,5a])	O[5](C[5,6a]C[5,6a]C[6a])(B[5,5a]O[5a]2O[5]){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[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5,5a]){1|Li<4>,1|C<3>,2|H<1>,2|O<2>}	107.3670	0.000	1	107.3670	0.000	1	107.9950	3.415	3	107.9950	3.415	3	107.9950	3.415	3	108.4570	3.130	4
976	679	727	5:SP2_SP2_SP3	O[5]	B[5,5a]	C[5,6a]	3:4:	3:2:2:2:	3:3:2:	C[5,6a]-3:B[5,5a]-4:	O[5]-3:O[5a]-2:O[5a]-2:O[5]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(B[5,5a]O[5a]2O[5])	B[5,5a](O[5]C[5,6a]Ni)(O[5a]C[5a,6a])2(O[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5,5a])	O[5](C[5,6a]C[5,6a]C[6a])(B[5,5a]O[5a]2O[5]){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[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5,5a]){1|Ni<4>,1|C<3>,2|H<1>,2|O<2>}	110.0750	0.000	1	110.0750	0.000	1	107.9950	3.415	3	107.9950	3.415	3	107.9950	3.415	3	108.4570	3.130	4
976	679	727	5:SP2_SP2_SP3	O[5]	B[5,6a]	C[5,6a]	3:4:	4:2:2:2:	3:3:2:	C[5,6a]-3:B[5,6a]-4:	C[5]-4:O[5]-2:O[6a]-2:O[6a]-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(B[5,6a]O[6a]2C[5])	B[5,6a](C[5]C[5,6a]N[6]H)(O[5]C[5,6a])(O[6a]B[6a])2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]B[5,6a])	O[5](C[5,6a]C[5,6a]C[6a])(B[5,6a]O[6a]2C[5]){1|N<4>,2|B<3>,2|C<3>,2|H<1>}	B[5,6a](C[5]C[5,6a]N[6]H)(O[5]C[5,6a])(O[6a]B[6a])2{1|H<1>,2|C<3>,2|C<4>,3|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]B[5,6a]){1|C<3>,1|N<4>,2|O<2>,3|H<1>}	109.8430	0.000	1	109.8430	0.000	1	109.8430	0.000	1	109.8430	0.000	1	109.8430	0.000	1	108.4570	3.130	4
976	679	818	5:SP2_SP2_SP3	O[5]	B[5,5a]	C[5]	4:3:	2:2:2:2:	2:4:2:	B[5,5a]-4:C[5]-3:	O[5a]-2:O[5a]-2:O[5]-2:O[5]-2:	O[5]-2:P[5]-4:N-2:	O[5](B[5,5a]O[5a]2O[5])(C[5]P[5]N)	B[5,5a](O[5a]C[5a,6a])2(O[5]C[5])(O[5]P[5])	C[5](O[5]B[5,5a])(P[5]O[5]CC)(NC[6a])	O[5](B[5,5a]O[5a]2O[5])(C[5]P[5]N){2|C<3>,2|C<4>}	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[5](O[5]B[5,5a])(P[5]O[5]CC)(NC[6a]){2|O<2>}	115.8110	0.335	2	115.8110	0.112	2	115.8110	0.112	2	115.8110	0.112	2	115.8110	0.112	2	115.8110	0.112	2
976	679	955	5:SP3_SP3_SP3	O[5]	B[5,5a]	P[5]	4:4:	2:2:2:2:	2:3:4:4:	B[5,5a]-4:P[5]-4:	O[5a]-2:O[5a]-2:O[5]-2:O[5]-2:	O[5]-2:C[5]-3:C-4:C-4:	O[5](B[5,5a]O[5a]2O[5])(P[5]C[5]CC)	B[5,5a](O[5a]C[5a,6a])2(O[5]C[5])(O[5]P[5])	P[5](O[5]B[5,5a])(C[5]O[5]N)(CC3)2	O[5](B[5,5a]O[5a]2O[5])(P[5]C[5]CC){1|N<2>,2|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>}	P[5](O[5]B[5,5a])(C[5]O[5]N)(CC3)2{2|O<2>}	114.5210	0.035	2	114.5210	0.001	2	114.5210	0.001	2	117.6737	29.819	3	115.7727	14.347	7	115.7727	14.347	7
976	679	955	5:SP3_SP3_SP3	O[5]	B[5,5a]	P[5]	4:4:	2:2:2:2:	2:3:4:4:	B[5,5a]-4:P[5]-4:	O[5a]-2:O[5a]-2:O[5]-2:S[5]-2:	O[5]-2:C[5]-3:C-4:C-4:	O[5](B[5,5a]O[5a]2S[5])(P[5]C[5]CC)	B[5,5a](O[5a]C[5a,6a])2(O[5]P[5])(S[5]C[5])	P[5](O[5]B[5,5a])(C[5]S[5]S)(CC3)2	O[5](B[5,5a]O[5a]2S[5])(P[5]C[5]CC){1|S<1>,2|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>}	P[5](O[5]B[5,5a])(C[5]S[5]S)(CC3)2{2|O<2>}	123.9790	0.000	1	123.9790	0.000	1	123.9790	0.000	1	117.6737	29.819	3	115.7727	14.347	7	115.7727	14.347	7
976	679	955	5:SP3_SP3_SP3	O[5]	B[5,5a]	P[5]	4:4:	2:2:2:2:	4:2:4:4:	B[5,5a]-4:P[5]-4:	O[5a]-2:O[5a]-2:O[5]-2:O[5]-2:	C[5,6]-4:O[5]-2:C-4:C-4:	O[5](B[5,5a]O[5a]2O[5])(P[5]C[5,6]CC)	B[5,5a](O[5a]C[5a,6a])2(O[5]C[5,6])(O[5]P[5])	P[5](C[5,6]C[6,6a]C[6]O[5])(O[5]B[5,5a])(CC3)2	O[5](B[5,5a]O[5a]2O[5])(P[5]C[5,6]CC){4|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>}	P[5](C[5,6]C[6,6a]C[6]O[5])(O[5]B[5,5a])(CC3)2{1|O<1>,2|O<2>,3|C<3>}	116.0520	0.000	1	116.0520	0.000	1	116.0520	0.000	1	116.0520	0.000	1	115.7727	14.347	7	115.7727	14.347	7
976	679	955	5:SP3_SP3_SP3	O[5]	B[5,5a]	P[5]	4:4:	2:2:3:2:	2:2:4:4:	B[5,5a]-4:P[5]-4:	O[5a]-2:O[5a]-2:N[5]-3:O[5]-2:	O[5]-2:N[5]-2:C-4:C-4:	O[5](B[5,5a]O[5a]2N[5])(P[5]N[5]CC)	B[5,5a](O[5a]C[5a,6a])2(N[5]N[5]C)(O[5]P[5])	P[5](O[5]B[5,5a])(N[5]N[5])(CC3)2	O[5](B[5,5a]O[5a]2N[5])(P[5]N[5]CC){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>}	P[5](O[5]B[5,5a])(N[5]N[5])(CC3)2{1|C<3>,2|O<2>}	113.0065	0.134	2	113.0065	0.018	2	113.0065	0.018	2	113.0065	0.018	2	115.7727	14.347	7	115.7727	14.347	7
976	679	955	5:SP3_SP3_SP3	O[5]	B[5,5a]	P[5]	4:4:	3:2:2:2:	3:2:4:4:	B[5,5a]-4:P[5]-4:	N[5,6]-3:O[5a]-2:O[5a]-2:O[5]-2:	N[5,6]-3:O[5]-2:C-4:C-4:	O[5](B[5,5a]N[5,6]O[5a]2)(P[5]N[5,6]CC)	B[5,5a](N[5,6]N[5,6]C[6])(O[5a]C[5a,6a])2(O[5]P[5])	P[5](N[5,6]B[5a,6]N[5,6])(O[5]B[5,5a])(CC3)2	O[5](B[5,5a]N[5,6]O[5a]2)(P[5]N[5,6]CC){1|B<4>,1|C<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>}	P[5](N[5,6]B[5a,6]N[5,6])(O[5]B[5,5a])(CC3)2{1|C<4>,5|O<2>}	115.3230	0.000	1	115.3230	0.000	1	115.3230	0.000	1	115.3230	0.000	1	115.7727	14.347	7	115.7727	14.347	7
976	681	818	5:SP2_SP2_SP2	O[5]	Se[5,5a]	C[5]	3:3:	3:2:2:	3:2:1:	Se[5,5a]-3:C[5]-3:	C[5,5a,6]-3:O[5a]-2:O[5]-2:	C[5,6]-3:O[5]-2:H-1:	O[5](Se[5,5a]C[5,5a,6]O[5a])(C[5]C[5,6]H)	Se[5,5a](C[5,5a,6]C[5a,6]C[5,6])(O[5a]C[5a])(O[5]C[5])	C[5](C[5,6]C[5,5a,6]C[6])(O[5]Se[5,5a])(H)	O[5](Se[5,5a]C[5,5a,6]O[5a])(C[5]C[5,6]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[5](C[5,6]C[5,5a,6]C[6])(O[5]Se[5,5a])(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	109.2350	0.093	2	109.2350	0.009	2	109.2350	0.009	2	109.2350	0.009	2	109.2350	0.009	2	109.2350	0.009	2
976	718	727	5:SP2_SP2_SPD5	O[5]	P[4,5]	C[5,6a]	3:5:	2:2:3:3:2:	3:3:2:	C[5,6a]-3:P[4,5]-5:	O[5]-2:O[5]-2:N[4]-3:N[4]-3:O-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(P[4,5]N[4]2O[5]O)	P[4,5](O[5]C[5,6a])2(N[4]P[4]C)2(OC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[4,5])	O[5](C[5,6a]C[5,6a]C[6a])(P[4,5]N[4]2O[5]O){1|Cl<1>,1|P<3>,2|C<3>,2|C<4>}	P[4,5](O[5]C[5,6a])2(N[4]P[4]C)2(OC){1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[4,5]){2|Cl<1>,1|C<3>,1|O<2>,2|N<3>}	113.9570	1.213	2	113.9570	1.472	2	113.9570	1.472	2	113.9570	1.472	2	113.9570	1.472	2	113.9570	1.472	2
976	718	818	5:SP2_SP2_SPD5	O[5]	P[4,5,5]	C[5]	5:3:	3:3:3:2:2:	2:3:4:	P[4,5,5]-5:C[5]-3:	N[4]-3:N[4]-3:N[5,5]-3:O[5]-2:O[5]-2:	O[5]-2:C[5]-3:C-4:	O[5](P[4,5,5]N[5,5]N[4]2O[5])(C[5]C[5]C)	P[4,5,5](N[4]P[4,5,5]C[6a])2(N[5,5]C[5]2)(O[5]C[5])2	C[5](O[5]P[4,5,5])(C[5]N[5,5]H)(CC3)	O[5](P[4,5,5]N[5,5]N[4]2O[5])(C[5]C[5]C){1|H<1>,1|P<5>,4|C<3>}	P[4,5,5](N[4]P[4,5,5]C[6a])2(N[5,5]C[5]2)(O[5]C[5])2{1|N<3>,2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5](O[5]P[4,5,5])(C[5]N[5,5]H)(CC3){1|C<3>,1|O<2>,2|N<3>}	113.8495	1.270	6	113.8495	1.612	6	113.8495	1.612	6	113.8495	1.612	6	114.7230	3.768	8	114.7230	3.768	8
976	718	818	5:SP2_SP2_SPD5	O[5]	P[4,5,5]	C[5]	5:3:	4:3:2:2:2:	3:2:4:	P[4,5,5]-5:C[5]-3:	N[4,5,5]-4:N[4]-3:O[5]-2:O[5]-2:O-2:	C[5]-3:O[5]-2:C-4:	O[5](P[4,5,5]N[4,5,5]N[4]O[5]O)(C[5]C[5]C)	P[4,5,5](N[4,5,5]B[4,5a]C[5]2)(N[4]B[4,5a]C[6a])(O[5]C[5])2(OC)	C[5](C[5]N[4,5,5]H)(O[5]P[4,5,5])(CC3)	O[5](P[4,5,5]N[4,5,5]N[4]O[5]O)(C[5]C[5]C){1|B<4>,1|H<1>,3|C<3>}	P[4,5,5](N[4,5,5]B[4,5a]C[5]2)(N[4]B[4,5a]C[6a])(O[5]C[5])2(OC){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5]N[4,5,5]H)(O[5]P[4,5,5])(CC3){1|B<4>,1|C<3>,1|N<3>,2|O<2>}	117.3435	0.035	2	117.3435	0.001	2	117.3435	0.001	2	117.3435	0.001	2	114.7230	3.768	8	114.7230	3.768	8
976	722	727	5:SP2_SP2_SPD5	O[5]	Si[4,5,5]	C[5,6a]	5:3:	3:3:2:4:4:	3:2:3:	Si[4,5,5]-5:C[5,6a]-3:	N[5,5a]-3:N[5,5]-3:O[5]-2:C[4]-4:C[4]-4:	C[5,6a]-3:O[5]-2:C[6a]-3:	O[5](Si[4,5,5]N[5,5a]N[5,5]C[4]2)(C[5,6a]C[5,6a]C[6a])	Si[4,5,5](N[5,5a]C[5,5a]C[5a])(N[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[4]C[4]HH)2	C[5,6a](C[5,6a]N[5,5]C[6a])(O[5]Si[4,5,5])(C[6a]C[6a]H)	O[5](Si[4,5,5]N[5,5a]N[5,5]C[4]2)(C[5,6a]C[5,6a]C[6a]){1|C<4>,5|C<3>,5|H<1>}	Si[4,5,5](N[5,5a]C[5,5a]C[5a])(N[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[4]C[4]HH)2{4|C<3>,4|H<1>}	C[5,6a](C[5,6a]N[5,5]C[6a])(O[5]Si[4,5,5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	116.0083	0.252	4	116.0083	0.063	4	116.0083	0.063	4	116.0083	0.063	4	116.0083	0.063	4	116.0083	0.063	4
976	722	818	5:SP2_SP2_SPD5	O[5]	Si[4,5]	C[5]	5:3:	3:3:2:2:1:	3:3:2:	Si[4,5]-5:C[5]-3:	N[4]-3:N[4]-3:O[5]-2:O[5]-2:Cl-1:	C[5]-3:C[6a]-3:O[5]-2:	O[5](Si[4,5]N[4]2O[5]Cl)(C[5]C[6a]C[5])	Si[4,5](N[4]C[4]C)2(O[5]C[5])2(Cl)	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(O[5]Si[4,5])	O[5](Si[4,5]N[4]2O[5]Cl)(C[5]C[6a]C[5]){2|C<4>,4|C<3>}	Si[4,5](N[4]C[4]C)2(O[5]C[5])2(Cl){3|C<3>}	C[5](C[5]C[6a]O[5])(C[6a]C[6a]2)(O[5]Si[4,5]){1|Cl<1>,2|H<1>,2|N<3>,4|C<3>}	112.1290	0.238	2	112.1290	0.056	2	112.1290	0.056	2	112.1290	0.056	2	112.1290	0.056	2	112.1290	0.056	2
976	727	727	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5,5a]	3:3:	3:3:2:	3:2:2:	C[5,5a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5,5a]-3:O[5]-2:N[5a]-2:	O[5](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[6a]C[6a]H)(O[5]C[5,5a])	C[5,5a](N[5,5a]C[5,6a]C[5a])(O[5]C[5,6a])(N[5a]S[5a])	O[5](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a]){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[6a]C[6a]H)(O[5]C[5,5a]){1|N<2>,2|C<3>,2|H<1>}	C[5,5a](N[5,5a]C[5,6a]C[5a])(O[5]C[5,6a])(N[5a]S[5a]){1|N<2>,2|C<3>}	105.9630	0.000	1	105.9630	0.000	1	105.9630	0.000	1	105.9630	0.000	1	105.9630	0.000	1	105.9630	0.000	1
976	727	786	5:SP2_SP2_SP3	O[5]	C[5,6a]	B[5,5]	3:4:	3:3:2:	3:3:2:2:	C[5,6a]-3:B[5,5]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5]-3:O[5]-3:O[5]-2:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(B[5,5]O[5]3)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5,5])	B[5,5](O[5]C[5,6a]Li)2(O[5]C[5,6a])2	O[5](C[5,6a]C[5,6a]C[6a])(B[5,5]O[5]3){2|Li<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]B[5,5]){1|Li<4>,1|C<3>,1|O<2>,1|O<3>,2|H<1>}	B[5,5](O[5]C[5,6a]Li)2(O[5]C[5,6a])2{4|C<3>}	107.2860	0.403	2	107.2860	0.162	2	107.2860	0.162	2	107.2860	0.162	2	107.2860	0.162	2	106.2860	3.081	3
976	727	786	5:SP2_SP2_SP3	O[5]	C[5,6a]	B[5,6,6]	4:3:	3:3:2:	3:3:3:2:	B[5,6,6]-4:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:O[5]-2:	O[5,6,6]-3:N[6,6]-3:N[6,6]-3:O[5]-2:	O[5](B[5,6,6]O[5,6,6]N[6,6]2)(C[5,6a]C[6a,6a]C[5,6a])	C[5,6a](C[5,6a]C[6a,6a]O[5,6,6])(C[6a,6a]C[6a,6a]C[6a])(O[5]B[5,6,6])	B[5,6,6](O[5,6,6]C[5,6a]B[6,6])(N[6,6]C[3x6]C[6])2(O[5]C[5,6a])	O[5](B[5,6,6]O[5,6,6]N[6,6]2)(C[5,6a]C[6a,6a]C[5,6a]){1|B<4>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]O[5,6,6])(C[6a,6a]C[6a,6a]C[6a])(O[5]B[5,6,6]){1|B<4>,1|H<1>,2|N<3>,4|C<3>}	B[5,6,6](O[5,6,6]C[5,6a]B[6,6])(N[6,6]C[3x6]C[6])2(O[5]C[5,6a]){1|O<2>,2|C<3>,2|C<4>,4|H<1>,4|N<3>}	104.2860	0.000	1	104.2860	0.000	1	104.2860	0.000	1	104.2860	0.000	1	104.2860	0.000	1	106.2860	3.081	3
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,5a]	C[5]	3:3:	3:3:2:	3:2:1:	C[5,5a]-3:C[5]-3:	C[5,5a]-3:C[5a]-3:O[5]-2:	C[5]-3:O[5]-2:O-1:	O[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(O[5]C[5])	C[5](C[5]C[5,5a]C[6a])(O[5]C[5,5a])(O)	O[5](C[5,5a]C[5,5a]C[5a])(C[5]C[5]O){1|C<4>,3|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)(O[5]C[5]){1|O<1>,3|C<3>}	C[5](C[5]C[5,5a]C[6a])(O[5]C[5,5a])(O){4|C<3>}	105.7220	0.000	1	105.7220	0.000	1	105.7220	0.000	1	105.7220	0.000	1	105.9310	0.087	2	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,5a]	C[5]	3:3:	3:3:2:	4:2:2:	C[5,5a]-3:C[5]-3:	N[5,5a]-3:C[5a]-3:O[5]-2:	C[5]-4:O[5]-2:N-2:	O[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]N)	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]C)(O[5]C[5])	C[5](C[5]N[5,5a]C[6a]2)(O[5]C[5,5a])(NC[3x6])	O[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]N){1|N<2>,4|C<3>}	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]C)(O[5]C[5]){1|N<2>,3|C<3>}	C[5](C[5]N[5,5a]C[6a]2)(O[5]C[5,5a])(NC[3x6]){1|N<2>,5|C<3>}	106.1400	0.000	1	106.1400	0.000	1	106.1400	0.000	1	106.1400	0.000	1	105.9310	0.087	2	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5,5]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5,5]-3:C[5,6]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5,5])	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5])	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(O[5]C[5,6a])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]N[5,5]){1|Ga<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5,5]){1|Ga<5>,2|C<3>,2|H<1>}	C[5,5](N[5,5]C[5,6a]Ga[5,5])(C[5,6]N[5,5,6]C[6])(O[5]C[5,6a]){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	103.7425	0.228	2	103.7425	0.052	2	103.7425	0.052	2	103.7425	0.052	2	103.7425	0.052	2	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5,6]	3:3:	3:3:2:	3:2:2:	C[5,6a]-3:C[5,6]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5,6]-3:O[5]-2:O[6]-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(O[6]Si[5,6])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]){1|Si<5>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|O<2>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(O[6]Si[5,6]){1|O<1>,1|O<2>,2|N<3>,3|C<3>}	106.2070	0.011	2	106.1577	0.007	3	106.1577	0.007	3	106.1577	0.007	3	105.6987	0.352	43	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5,6]	3:3:	3:3:2:	3:2:2:	C[5,6a]-3:C[5,6]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5,6]-3:O[5]-2:O[6]-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(O[6]Si[5,6])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]){1|Si<6>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|O<2>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(O[6]Si[5,6]){1|O<1>,1|O<2>,3|C<3>,3|N<3>}	106.0590	0.000	1	106.1577	0.007	3	106.1577	0.007	3	106.1577	0.007	3	105.6987	0.352	43	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5,6]	3:3:	3:3:2:	3:2:3:	C[5,6a]-3:C[5,6]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5,6]-3:O[5]-2:C[6]-3:	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6](N[5,6]C[5,6a]B[6])(O[5]C[5,6a])(C[6]C[6]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]){1|B<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5,6a]B[6])(O[5]C[5,6a])(C[6]C[6]H){1|O<2>,2|F<1>,3|C<3>}	105.5343	0.296	6	105.5343	0.087	6	105.7830	0.506	7	105.7830	0.506	7	105.6987	0.352	43	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5,6]	3:3:	3:3:2:	3:2:3:	C[5,6a]-3:C[5,6]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5,6]-3:O[5]-2:C[6]-3:	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[6]C[6]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[6]C[6]C){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	107.2750	0.000	1	107.2750	0.000	1	105.7830	0.506	7	105.7830	0.506	7	105.6987	0.352	43	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5,6]	3:3:	3:3:2:	3:2:4:	C[5,6a]-3:C[5,6]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5,6]-3:O[5]-2:C[6]-4:	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[6]C[6]HH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	105.7987	0.807	4	105.7987	0.651	4	105.7987	0.651	4	105.7987	0.651	4	105.6987	0.352	43	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5,6]	3:3:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:N[5,6]-3:O[5]-2:	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|B<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	105.3840	0.000	1	105.1450	0.136	4	105.3523	0.104	14	105.3611	0.140	21	105.6987	0.352	43	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5,6]	3:3:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:N[5,6]-3:O[5]-2:	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|B<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|N<3>,2|O<2>,4|C<3>}	104.6970	0.000	1	105.1450	0.136	4	105.3523	0.104	14	105.3611	0.140	21	105.6987	0.352	43	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5,6]	3:3:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:N[5,6]-3:O[5]-2:	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|B<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[5a,6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|N<3>,6|C<3>}	105.2495	0.357	2	105.1450	0.136	4	105.3523	0.104	14	105.3611	0.140	21	105.6987	0.352	43	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5,6]	3:3:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:N[5,6]-3:O[5]-2:	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[5,6])(O[5]C[5,6a])	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|B<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[5,6])(O[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	105.2980	0.000	1	105.2980	0.000	1	105.3523	0.104	14	105.3611	0.140	21	105.6987	0.352	43	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5,6]	3:3:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:N[5,6]-3:O[5]-2:	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|B<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,1|H<1>,1|O<2>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	105.5780	0.000	1	105.4009	0.072	8	105.3523	0.104	14	105.3611	0.140	21	105.6987	0.352	43	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5,6]	3:3:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:N[5,6]-3:O[5]-2:	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|B<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	105.3942	0.311	5	105.4009	0.072	8	105.3523	0.104	14	105.3611	0.140	21	105.6987	0.352	43	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5,6]	3:3:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:N[5,6]-3:O[5]-2:	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|B<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){1|H<1>,1|O<2>,6|C<3>}	105.3290	0.274	2	105.4009	0.072	8	105.3523	0.104	14	105.3611	0.140	21	105.6987	0.352	43	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5,6]	3:3:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6,6a]-3:N[5,6]-3:O[5]-2:	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]Ga[6])(O[5]C[5,6a])	O[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|Ga<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|Ga<4>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]Ga[6])(O[5]C[5,6a]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	105.8470	0.000	1	105.8470	0.000	1	105.3523	0.104	14	105.3611	0.140	21	105.6987	0.352	43	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5,6]	3:3:	3:3:2:	3:3:2:	C[5,6]-3:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5a,6]-3:N[5,6]-3:O[5]-2:	O[5](C[5,6]N[5a,6]N[5,6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a])	O[5](C[5,6]N[5a,6]N[5,6])(C[5,6a]C[5,6a]C[6a]){1|B<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|B<4>,1|C<3>,1|N<3>,2|H<1>}	C[5,6](N[5a,6]C[5a,6,6a]C[5a])(N[5,6]C[5,6a]B[6])(O[5]C[5,6a]){2|Cl<1>,1|H<1>,5|C<3>}	104.6930	0.000	1	104.6930	0.000	1	104.6930	0.000	1	105.3611	0.140	21	105.6987	0.352	43	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5,6]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5,6]-3:C[6]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6](N[5,6]C[5,6a]Ga[6])(C[6]C[5,6]H)(O[5]C[5,6a])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]){1|Ga<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|Ga<4>,1|C<4>,1|H<1>,2|C<3>}	C[5,6](N[5,6]C[5,6a]Ga[6])(C[6]C[5,6]H)(O[5]C[5,6a]){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	105.8385	0.011	2	105.4930	0.181	6	105.4930	0.181	6	105.3611	0.140	21	105.6987	0.352	43	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5,6]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5,6]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5,6]-3:C[6]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6](N[5,6]C[5,6a]Ga[6])(C[6]C[5,6]H)(O[5]C[5,6a])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]){1|Ga<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|Ga<4>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5,6a]Ga[6])(C[6]C[5,6]H)(O[5]C[5,6a]){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	105.3203	0.427	4	105.4930	0.181	6	105.4930	0.181	6	105.3611	0.140	21	105.6987	0.352	43	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5,6]	3:3:	3:3:2:	4:2:3:	C[5,6a]-3:C[5,6]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:O[5]-2:C[6]-3:	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[5]C[5,6])	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]C)(O[5]C[5,6]){1|C<4>,2|O<2>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]H){2|O<1>,3|C<3>}	106.1912	0.272	5	106.1912	0.074	5	106.2417	0.074	6	106.2417	0.074	6	105.6987	0.352	43	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5,6]	3:3:	3:3:2:	4:2:3:	C[5,6a]-3:C[5,6]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:O[5]-2:C[6]-3:	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6](C[5,6]C[5,6a]C[6,6]H)(O[5]C[5,6a])(C[6]C[6]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]){2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6]H)(O[5]C[5,6a])(C[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	106.4940	0.000	1	106.4940	0.000	1	106.2417	0.074	6	106.2417	0.074	6	105.6987	0.352	43	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5,6]	3:3:	3:3:2:	4:3:2:	C[5,6a]-3:C[5,6]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[6]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6,6a]C[6a])(O[5]C[5,6a])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6,6a]C[6a])(O[5]C[5,6a]){1|O<1>,6|C<3>}	105.8650	0.000	1	105.8650	0.000	1	106.4305	0.640	2	106.4305	0.640	2	105.6987	0.352	43	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5,6]	3:3:	3:3:2:	4:3:2:	C[5,6a]-3:C[5,6]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:C[6]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[5a]C[6])(O[5]C[5,6a])	O[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5,6]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[5a]C[6])(O[5]C[5,6a]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	106.9960	0.000	1	106.9960	0.000	1	106.4305	0.640	2	106.4305	0.640	2	105.6987	0.352	43	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:2:2:	3:3:2:	C[5,6a]-3:C[5]-3:	N[5,6a]-3:N[6a]-2:O[5]-2:	C[5]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]N[5,6a]N[6a])(C[5]C[6a]C[5])	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(O[5]C[5])	C[5](C[5]N[5,6a]H)(C[6a]C[6a]2)(O[5]C[5,6a])	O[5](C[5,6a]N[5,6a]N[6a])(C[5]C[6a]C[5]){1|H<1>,4|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(N[6a]C[6a])(O[5]C[5]){2|C<3>,3|H<1>}	C[5](C[5]N[5,6a]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|N<2>,2|H<1>,3|C<3>}	106.8160	0.000	1	106.8160	0.000	1	106.8160	0.000	1	106.8160	0.000	1	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	2:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5]-2:O[5]-2:H-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5](O[5]C[5,6a])2(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	C[5](O[5]C[5,6a])2(H){2|C<3>}	103.8640	0.000	1	104.5720	1.003	2	104.4870	0.395	4	104.4870	0.395	4	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	2:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5]-2:O[5]-2:H-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5](O[5]C[5,6a])2(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|O<2>,2|H<1>}	C[5](O[5]C[5,6a])2(H){2|C<3>}	105.2800	0.000	1	104.5720	1.003	2	104.4870	0.395	4	104.4870	0.395	4	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	2:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5]-2:O[5]-2:H-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]H)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5])	C[5](O[5]C[5,6a])2(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]H){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,2|H<1>}	C[5](O[5]C[5,6a])2(H){2|C<3>}	104.4020	0.393	2	104.4020	0.155	2	104.4870	0.395	4	104.4870	0.395	4	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	2:2:3:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5]-2:S[5]-2:C-3:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](O[5]C[5,6a])(S[5]C[5,6a])(CCH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]C){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|H<1>}	C[5](O[5]C[5,6a])(S[5]C[5,6a])(CCH){2|C<3>}	112.1980	0.000	1	112.1980	0.000	1	112.1980	0.000	1	112.1980	0.000	1	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	2:2:4:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5]-2:P[5]-2:C-4:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5](O[5]C[5,6a])(P[5]C[5,6a])(CC3)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|P<2>}	C[5](O[5]C[5,6a])(P[5]C[5,6a])(CC3){2|C<3>}	110.6360	0.000	1	110.6360	0.000	1	110.6360	0.000	1	110.6360	0.000	1	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(O){1|C<4>,3|C<3>}	107.7380	0.000	1	107.7380	0.000	1	107.6410	0.019	2	106.9657	1.702	34	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a,6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(O[5]C[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O){1|O<2>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(O[5]C[5,6a])(O){1|H<1>,3|C<3>}	107.5440	0.000	1	107.5440	0.000	1	107.6410	0.019	2	106.9657	1.702	34	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-3:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O){2|C<3>}	107.1490	0.191	2	107.1490	0.036	2	107.4709	0.252	22	106.9657	1.702	34	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-3:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[5](C[5]C[5,6a]C[6a])(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C[6a])(O[5]C[5,6a])(O){4|C<3>}	106.6810	0.000	1	106.6810	0.000	1	107.4709	0.252	22	106.9657	1.702	34	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-3:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(O[5]C[5])	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(O){2|C<3>}	107.0420	0.000	1	107.0420	0.000	1	107.4709	0.252	22	106.9657	1.702	34	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-3:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|C<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O){2|C<3>}	107.4790	0.000	1	107.4790	0.000	1	107.4709	0.252	22	106.9657	1.702	34	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-3:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O){2|C<3>}	107.5660	0.136	2	107.6674	0.190	14	107.4709	0.252	22	106.9657	1.702	34	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-3:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O){2|C<3>}	107.6843	0.469	12	107.6674	0.190	14	107.4709	0.252	22	106.9657	1.702	34	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-3:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5]C[5,6a]C[6])(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]C[6])(O[5]C[5,6a])(O){1|N<2>,1|N<3>,2|C<3>}	107.1060	0.000	1	107.1723	0.483	3	107.4709	0.252	22	106.9657	1.702	34	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-3:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5]C[5,6a]C[6])(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5,6a]C[6])(O[5]C[5,6a])(O){1|N<3>,3|C<3>}	107.8980	0.000	1	107.1723	0.483	3	107.4709	0.252	22	106.9657	1.702	34	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-3:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5]C[5,6a]C[6])(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6])(O[5]C[5,6a])(O){1|N<3>,3|C<3>}	106.5130	0.000	1	107.1723	0.483	3	107.4709	0.252	22	106.9657	1.702	34	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:O[5]-2:H-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Co)(O[5]C[5,6a])(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H){1|Co<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Co<6>,1|C<3>,1|N<3>,2|H<1>}	C[5](N[5]C[5,6a]Co)(O[5]C[5,6a])(H){2|C<3>}	104.1550	0.000	1	104.1550	0.000	1	104.3877	0.094	6	106.9657	1.702	34	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:O[5]-2:H-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Ni)(O[5]C[5,6a])(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H){1|Ni<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ni<6>,1|C<3>,1|N<3>,2|H<1>}	C[5](N[5]C[5,6a]Ni)(O[5]C[5,6a])(H){2|C<3>}	103.9440	0.000	1	103.9440	0.000	1	104.3877	0.094	6	106.9657	1.702	34	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:O[5]-2:H-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Zn)(O[5]C[5,6a])(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H){1|Zn<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Zn<4>,1|C<3>,3|H<1>}	C[5](N[5]C[5,6a]Zn)(O[5]C[5,6a])(H){2|C<3>}	104.5567	0.185	4	104.5567	0.034	4	104.3877	0.094	6	106.9657	1.702	34	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:O[5]-2:S-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]H)(O[5]C[5,6a])(S)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]H)(O[5]C[5]){1|S<1>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]H)(O[5]C[5,6a])(S){2|C<3>}	107.9140	0.000	1	107.9140	0.000	1	108.0463	0.207	3	106.9657	1.702	34	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:O[5]-2:S-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]H)(O[5]C[5,6a])(S)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,1|S<1>,2|H<1>}	C[5](N[5]C[5,6a]H)(O[5]C[5,6a])(S){2|C<3>}	107.6720	0.000	1	108.1125	0.388	2	108.0463	0.207	3	106.9657	1.702	34	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:O[5]-2:S-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]H)(O[5]C[5,6a])(S)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|S<1>,3|H<1>}	C[5](N[5]C[5,6a]H)(O[5]C[5,6a])(S){2|C<3>}	108.5530	0.000	1	108.1125	0.388	2	108.0463	0.207	3	106.9657	1.702	34	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:1:	C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5]-3:O[5]-2:O-1:	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]O){4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O){2|C<3>}	106.7260	0.000	1	106.7260	0.000	1	106.7260	0.000	1	106.9657	1.702	34	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:O[5]-2:P[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5])	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[6a]C[6a]2)(O[5]C[5,6a])(P[5]C[5,6a])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]P[5]){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(O[5]C[5]){2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(O[5]C[5,6a])(P[5]C[5,6a]){2|H<1>,4|C<3>}	110.4050	0.007	2	110.4050	0.000	2	110.4050	0.000	2	106.7752	5.807	13	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:O[5]-2:S-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]H)(O[5]C[5,6a])(SCu)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|S<2>,3|H<1>}	C[5](N[5]C[5,6a]H)(O[5]C[5,6a])(SCu){2|C<3>}	106.7820	0.000	1	106.7820	0.000	1	105.3534	0.696	9	106.7752	5.807	13	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:O[5]-2:S-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Pt)(O[5]C[5,6a])(SPt)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S){1|Pt<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pt<4>,1|C<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]Pt)(O[5]C[5,6a])(SPt){2|C<3>}	105.2742	0.776	6	105.2306	0.516	7	105.3534	0.696	9	106.7752	5.807	13	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:O[5]-2:S-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Pt)(O[5]C[5,6a])(SPt)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S){1|Pt<5>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pt<5>,1|C<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]Pt)(O[5]C[5,6a])(SPt){2|C<3>}	104.9690	0.000	1	105.2306	0.516	7	105.3534	0.696	9	106.7752	5.807	13	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:O[5]-2:S-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Re)(O[5]C[5,6a])(SS)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S){1|Re<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Re<6>,1|C<3>,1|S<2>,2|H<1>}	C[5](N[5]C[5,6a]Re)(O[5]C[5,6a])(SS){2|C<3>}	104.7850	0.000	1	104.7850	0.000	1	105.3534	0.696	9	106.7752	5.807	13	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[6a]-3:O[5]-2:P[5]-2:	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]P[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]P[5])(O[5]C[5])	C[5](C[6a]C[6a]2)(O[5]C[5,6a])(P[5]C[5,6a])	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]P[5]){5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]P[5])(O[5]C[5]){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5,6a])(P[5]C[5,6a]){2|H<1>,4|C<3>}	111.0020	0.000	1	111.0020	0.000	1	111.0020	0.000	1	106.7752	5.807	13	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5,6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-3:O[5]-2:N-2:	O[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]N)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[5](C[5]N[5,6a]C)(O[5]C[5,6a])(NC)	O[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]N){1|C<4>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5,6a]C)(O[5]C[5,6a])(NC){2|C<3>}	108.0840	0.000	1	108.0840	0.000	1	108.0840	0.000	1	106.7752	5.807	13	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:3:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-3:O[5]-2:C-3:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[5]H){2|C<3>}	106.4730	0.000	2	106.4730	0.000	2	106.6784	0.233	12	105.4585	1.079	49	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:3:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-3:O[5]-2:C-3:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]C)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]C){2|C<3>}	107.0755	0.100	2	107.0755	0.010	2	106.6784	0.233	12	105.4585	1.079	49	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:3:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-3:O[5]-2:C-3:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]H){2|C<3>}	106.7857	0.362	7	106.7857	0.131	7	106.6784	0.233	12	105.4585	1.079	49	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:3:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-3:O[5]-2:C-3:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]Se)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]Se){2|C<3>}	105.5440	0.000	1	105.5440	0.000	1	106.6784	0.233	12	105.4585	1.079	49	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:3:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:O[5]-2:C-3:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5])	C[5](N[5]C[5,6a]Co)(O[5]C[5,6a])(CCO)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Co<6>,1|C<4>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5]){1|Co<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Co)(O[5]C[5,6a])(CCO){2|C<3>}	104.5602	0.525	4	104.5602	0.276	4	105.2037	0.343	31	105.4585	1.079	49	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:3:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:O[5]-2:C-3:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Al)(O[5]C[5,6a])(CCH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Al<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Al<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Al)(O[5]C[5,6a])(CCH){2|C<3>}	104.7720	0.049	2	104.7720	0.002	2	105.2037	0.343	31	105.4585	1.079	49	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:3:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:O[5]-2:C-3:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Al)(O[5]C[5,6a])(CC[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Al<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Al<4>,1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]Al)(O[5]C[5,6a])(CC[5]H){2|C<3>}	105.9355	0.285	2	105.9532	0.033	4	105.2037	0.343	31	105.4585	1.079	49	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:3:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:O[5]-2:C-3:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Al)(O[5]C[5,6a])(CC[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Al<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Al<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Al)(O[5]C[5,6a])(CC[5]H){2|C<3>}	105.9710	0.124	2	105.9532	0.033	4	105.2037	0.343	31	105.4585	1.079	49	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:3:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:O[5]-2:C-3:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCH){2|C<3>}	106.7500	0.000	1	106.7500	0.000	1	105.2037	0.343	31	105.4585	1.079	49	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:3:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:O[5]-2:C-3:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Co)(O[5]C[5,6a])(CCH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Co<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Co<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Co)(O[5]C[5,6a])(CCH){2|C<3>}	104.6260	0.474	3	104.6260	0.224	3	105.2037	0.343	31	105.4585	1.079	49	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:3:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:O[5]-2:C-3:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Li)(O[5]C[5,6a])(CC[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Li<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Li<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Li)(O[5]C[5,6a])(CC[5]H){2|C<3>}	104.6945	0.006	2	104.6945	0.000	2	105.2037	0.343	31	105.4585	1.079	49	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:3:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:O[5]-2:C-3:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Mg)(O[5]C[5,6a])(CC[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Mg<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Mg<4>,1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]Mg)(O[5]C[5,6a])(CC[5]H){2|C<3>}	105.4089	0.050	11	105.4089	0.003	11	105.2037	0.343	31	105.4585	1.079	49	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:3:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:O[5]-2:C-3:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Ru)(O[5]C[5,6a])(CC[5]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Ru<6>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ru<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ru)(O[5]C[5,6a])(CC[5]H){2|C<3>}	105.0505	0.230	4	105.0505	0.053	4	105.2037	0.343	31	105.4585	1.079	49	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:3:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:O[5]-2:C[5]-3:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Mn)(O[5]C[5,6a])(C[5]N[5]2)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]){1|Mn<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Mn<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Mn)(O[5]C[5,6a])(C[5]N[5]2){2|C<3>,2|S<2>}	103.2220	0.163	2	103.2220	0.026	2	102.9907	0.174	3	105.4585	1.079	49	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:3:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:O[5]-2:C[5]-3:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Ni)(O[5]C[5,6a])(C[5]N[5]2)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]){1|Ni<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ni<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ni)(O[5]C[5,6a])(C[5]N[5]2){2|C<3>,2|S<2>}	102.5280	0.000	1	102.5280	0.000	1	102.9907	0.174	3	105.4585	1.079	49	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:3:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:O[5]-2:N-3:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]H)(O[5]C[5,6a])(NHH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<3>,3|H<1>}	C[5](N[5]C[5,6a]H)(O[5]C[5,6a])(NHH){2|C<3>}	105.6797	0.377	3	105.6797	0.142	3	105.6797	0.142	3	105.4585	1.079	49	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:4:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:O[5]-2:C-4:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Pd)(O[5]C[5,6a])(CH3)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Pd<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Pd)(O[5]C[5,6a])(CH3){2|C<3>}	105.0200	0.000	1	105.0200	0.000	1	104.6744	0.666	9	104.6744	0.666	9	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:4:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:O[5]-2:C-4:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Pt)(O[5]C[5,6a])(CH3)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Pt<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Pt)(O[5]C[5,6a])(CH3){2|C<3>}	106.2110	0.000	1	106.2110	0.000	1	104.6744	0.666	9	104.6744	0.666	9	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:4:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:O[5]-2:C-4:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Ru)(O[5]C[5,6a])(CC[5]CC)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Ru<9>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ru<9>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Ru)(O[5]C[5,6a])(CC[5]CC){2|C<3>}	104.8915	0.214	2	104.8915	0.046	2	104.6744	0.666	9	104.6744	0.666	9	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:4:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:O[5]-2:C-4:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Zn)(O[5]C[5,6a])(CH3)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Zn<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Zn<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Zn)(O[5]C[5,6a])(CH3){2|C<3>}	104.8975	0.221	2	104.8975	0.049	2	104.6744	0.666	9	104.6744	0.666	9	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:2:4:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:O[5]-2:C-4:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Zn)(O[5]C[5,6a])(CHHN)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C){1|Zn<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Zn<4>,1|C<3>,1|C<4>,2|H<1>}	C[5](N[5]C[5,6a]Zn)(O[5]C[5,6a])(CHHN){2|C<3>}	103.7537	0.083	3	103.7537	0.007	3	104.6744	0.666	9	104.6744	0.666	9	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:N[5]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]Pt)(O[5]C[5,6a])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Pt<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pt<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5,6a]Pt)(O[5]C[5,6a]){1|H<1>,4|C<3>}	105.5560	0.000	1	105.5560	0.000	1	105.5560	0.000	1	104.7914	0.713	69	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:C[6]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Cr)(C[6]C[6]N[6])(O[5]C[5,6a])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]){1|Cr<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Cr<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Cr)(C[6]C[6]N[6])(O[5]C[5,6a]){1|H<1>,4|C<3>}	103.6620	0.000	1	103.6620	0.000	1	103.8498	0.096	11	104.7914	0.713	69	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:C[6]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Cu)(C[6]C[6]N[6])(O[5]C[5,6a])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]){1|Cu<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Cu<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(C[6]C[6]N[6])(O[5]C[5,6a]){1|H<1>,4|C<3>}	104.0627	0.339	4	104.0627	0.115	4	103.8498	0.096	11	104.7914	0.713	69	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:C[6]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Ir)(C[6]C[6]N[6])(O[5]C[5,6a])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ir)(C[6]C[6]N[6])(O[5]C[5,6a]){1|H<1>,4|C<3>}	103.8650	0.000	1	103.8650	0.000	1	103.8498	0.096	11	104.7914	0.713	69	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:C[6]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(O[5]C[5,6a])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]){1|Ni<5>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ni<5>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(O[5]C[5,6a]){1|H<1>,4|C<3>}	103.7417	0.310	3	103.7140	0.078	5	103.8498	0.096	11	104.7914	0.713	69	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:C[6]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(O[5]C[5,6a])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]){1|Ni<6>,1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ni<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ni)(C[6]C[6]N[6])(O[5]C[5,6a]){1|H<1>,4|C<3>}	103.6725	0.337	2	103.7140	0.078	5	103.8498	0.096	11	104.7914	0.713	69	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ir<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<6>,1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,4|C<3>}	104.5485	0.472	2	104.5485	0.222	2	104.8651	0.470	54	104.7914	0.713	69	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5])	C[5](N[5]C[5,6a]Cu)(C[6a]C[6a]2)(O[5]C[5,6a])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Cu<4>,1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5]){1|Cu<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|N<3>,4|C<3>}	104.9340	0.000	1	104.9340	0.000	1	104.8651	0.470	54	104.7914	0.713	69	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5])	C[5](N[5]C[5,6a]Ni)(C[6a]C[6a]2)(O[5]C[5,6a])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ni<6>,1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]C[5]){1|Ni<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ni)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|N<3>,4|C<3>}	104.5475	0.194	2	104.5475	0.038	2	104.8651	0.470	54	104.7914	0.713	69	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(O[5]C[5,6a])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Al<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Al<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Al)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	105.6050	0.162	4	105.6050	0.026	4	104.8651	0.470	54	104.7914	0.713	69	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Be)(C[6a]C[6a]2)(O[5]C[5,6a])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Be<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Be<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Be)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	105.0995	0.064	2	105.0995	0.004	2	104.8651	0.470	54	104.7914	0.713	69	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Cu)(C[6a]C[6a]2)(O[5]C[5,6a])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Cu<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Cu<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Cu)(C[6a]C[6a]2)(O[5]C[5,6a]){2|H<1>,4|C<3>}	105.0475	0.156	2	105.0475	0.024	2	104.8651	0.470	54	104.7914	0.713	69	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ir<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,4|C<3>}	104.2250	0.277	2	104.6757	0.581	29	104.8651	0.470	54	104.7914	0.713	69	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ir<5>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<5>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,4|C<3>}	103.9870	0.533	2	104.6757	0.581	29	104.8651	0.470	54	104.7914	0.713	69	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ir<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	105.2550	0.000	1	104.6757	0.581	29	104.8651	0.470	54	104.7914	0.713	69	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ir<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,4|C<3>}	104.5078	0.472	14	104.6757	0.581	29	104.8651	0.470	54	104.7914	0.713	69	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ir<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a]){5|C<3>}	104.7640	0.503	2	104.6757	0.581	29	104.8651	0.470	54	104.7914	0.713	69	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ir<7>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<7>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,4|C<3>}	105.1533	1.267	6	104.6757	0.581	29	104.8651	0.470	54	104.7914	0.713	69	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ir<8>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ir<8>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ir)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	105.1795	0.861	2	104.6757	0.581	29	104.8651	0.470	54	104.7914	0.713	69	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Os)(C[6a]C[6a]2)(O[5]C[5,6a])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Os<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Os<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Os)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	105.1227	0.661	7	105.1227	0.437	7	104.8651	0.470	54	104.7914	0.713	69	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Pd)(C[6a]C[6a]2)(O[5]C[5,6a])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Pd<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Pd<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Pd)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|N<3>,4|C<3>}	105.5580	0.000	1	105.5580	0.000	1	104.8651	0.470	54	104.7914	0.713	69	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Re)(C[6a]C[6a]2)(O[5]C[5,6a])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Re<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Re<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Re)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	105.1380	0.136	2	105.1380	0.018	2	104.8651	0.470	54	104.7914	0.713	69	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](N[5]C[5,6a]Ru)(C[6a]C[6a]2)(O[5]C[5,6a])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ru<6>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(O[5]C[5]){1|Ru<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ru)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	105.4040	0.000	1	105.4040	0.000	1	104.8651	0.470	54	104.7914	0.713	69	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(O[5]C[5])	C[5](N[5]C[5,6a]Ru)(C[6a]C[6a]2)(O[5]C[5,6a])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]){1|Ru<6>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(O[5]C[5]){1|Ru<6>,2|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Ru)(C[6a]C[6a]2)(O[5]C[5,6a]){1|H<1>,4|C<3>}	104.1810	0.000	1	104.1810	0.000	1	104.8651	0.470	54	104.7914	0.713	69	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-3:	N[5,5a,6a]-3:C[6a]-3:O[5]-2:	C[5,5a]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]N[5,5a,6a]C[6a])(C[5]C[5,5a]C[6a])	C[5,6a](N[5,5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5,5a]N[5,5a,6a]C[5a,6a])(C[6a]C[6a]2)(O[5]C[5,6a])	O[5](C[5,6a]N[5,5a,6a]C[6a])(C[5]C[5,5a]C[6a]){1|H<1>,5|C<3>}	C[5,6a](N[5,5a,6a]C[5a,6a]C[5,5a])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,4|C<3>}	C[5](C[5,5a]N[5,5a,6a]C[5a,6a])(C[6a]C[6a]2)(O[5]C[5,6a]){2|H<1>,6|C<3>}	107.6270	0.000	1	107.6270	0.000	1	107.6270	0.000	1	104.7914	0.713	69	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])	C[5,6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5]N[5,6a]H)(C[6a]C[6a]2)(O[5]C[5,6a])	O[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5]){2|H<1>,4|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5,6a]H)(C[6a]C[6a]2)(O[5]C[5,6a]){2|H<1>,4|C<3>}	106.0250	0.000	1	106.0250	0.000	1	106.1800	0.048	2	104.7914	0.713	69	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	3:3:2:	C[5,6a]-3:C[5]-3:	N[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-3:C[6a]-3:O[5]-2:	O[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5])	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5]N[5,6a]H)(C[6a]C[6a]2)(O[5]C[5,6a])	O[5](C[5,6a]N[5,6a]C[6a])(C[5]C[6a]C[5]){2|H<1>,4|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5,6a]H)(C[6a]C[6a]2)(O[5]C[5,6a]){2|H<1>,4|C<3>}	106.3350	0.000	1	106.3350	0.000	1	106.1800	0.048	2	104.7914	0.713	69	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[5,5,6]-4:O[5]-2:O-1:	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,5,6]O)	C[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5])	C[5](C[5,5,6]C[5,6,6a]C[5,6]C[5])(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6,6a]C[6a])(C[5]C[5,5,6]O){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6,6a]C[5,5,6]C[6,6a])(C[6a]C[6a]O)(O[5]C[5]){1|O<1>,2|C<3>,3|C<4>}	C[5](C[5,5,6]C[5,6,6a]C[5,6]C[5])(O[5]C[5,6a])(O){2|H<1>,3|C<3>,3|C<4>}	107.6295	0.037	2	107.6295	0.001	2	107.6295	0.001	2	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]2)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|O<1>,2|C<3>,2|O<2>,4|H<1>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(O){2|C<3>}	107.8300	0.000	1	107.8300	0.000	1	108.1937	0.101	7	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]2)(C[5]C[5]O)	C[5,6a](C[5,6a]C[5,6a]C[5])2(O[5]C[5])	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]2)(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])2(O[5]C[5]){1|O<1>,2|C<3>,2|O<2>,4|H<1>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(O){2|C<3>}	108.2543	0.300	6	108.2543	0.090	6	108.1937	0.101	7	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]O[5])(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,5]C[5,6a]C[5]O[5])(O[5]C[5,6a])(O){1|C<4>,1|H<1>,4|C<3>}	107.7060	0.000	1	107.7060	0.000	1	107.6773	0.014	8	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5,6a])(O){1|C<4>,1|H<1>,5|C<3>}	107.7830	0.000	1	107.8415	0.007	2	107.6773	0.014	8	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5,6a])(O){3|H<1>,5|C<3>}	107.9000	0.000	1	107.8415	0.007	2	107.6773	0.014	8	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5,5]C[5,6a]2C[5])(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(O[5]C[5,6a])(O){1|H<1>,5|C<3>}	107.6610	0.000	1	107.6610	0.000	1	107.6773	0.014	8	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5,6a])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	107.6300	0.000	2	107.5920	0.002	4	107.6773	0.014	8	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O)	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5,6a])(O){1|O<1>,2|H<1>,4|C<3>}	107.5540	0.000	2	107.5920	0.002	4	107.6773	0.014	8	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6,6]C[6])(O[5]C[5,6a])(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	108.2750	0.000	1	108.2750	0.000	1	108.0126	0.189	7	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(O){1|C<4>,2|H<1>,5|C<3>}	108.0040	0.441	4	107.9688	0.210	6	108.0126	0.189	7	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,6]-4:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(O[5]C[5,6a])(O){2|C<4>,2|H<1>,4|C<3>}	107.8985	0.672	2	107.9688	0.210	6	108.0126	0.189	7	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|O<1>,2|H<1>,2|O<2>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(O){2|C<3>}	108.1790	0.000	1	108.1790	0.000	1	108.0495	0.100	49	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5])	C[5](C[5]C[5,6a]CN)(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[5](C[5]C[5,6a]CN)(O[5]C[5,6a])(O){2|C<3>}	107.8978	0.169	4	107.8978	0.028	4	108.0495	0.100	49	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O){2|C<3>}	108.0350	0.000	1	108.0350	0.000	1	108.0495	0.100	49	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O){2|C<3>}	108.2150	0.147	3	108.0653	0.136	13	108.0495	0.100	49	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O){2|C<3>}	108.0204	0.409	10	108.0653	0.136	13	108.0495	0.100	49	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(O){2|C<3>}	108.0980	0.000	1	108.0980	0.000	1	108.0495	0.100	49	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5]C[5,6a]CN)(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]CN)(O[5]C[5,6a])(O){2|C<3>}	107.7100	0.283	2	107.7100	0.080	2	108.0495	0.100	49	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5]C[5,6a]CS)(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[5](C[5]C[5,6a]CS)(O[5]C[5,6a])(O){2|C<3>}	108.4420	0.000	2	108.4420	0.000	2	108.0495	0.100	49	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5]C[5,6a]C[6]C)(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6]C)(O[5]C[5,6a])(O){4|C<3>}	107.9670	0.375	3	107.9670	0.141	3	108.0495	0.100	49	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5]C[5,6a]C[6a]2)(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(O[5]C[5,6a])(O){6|C<3>}	107.9920	0.000	1	107.7590	0.109	2	108.0495	0.100	49	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5]C[5,6a]C[6a]2)(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5,6a]C[6a]2)(O[5]C[5,6a])(O){6|C<3>}	107.5260	0.000	1	107.7590	0.109	2	108.0495	0.100	49	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5]C[5,6a]C[6a]C)(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]C)(O[5]C[5,6a])(O){4|C<3>}	108.0643	0.259	3	108.0793	0.046	4	108.0495	0.100	49	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5]C[5,6a]C[6a]C)(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]C[6a]C)(O[5]C[5,6a])(O){4|C<3>}	108.1240	0.000	1	108.0793	0.046	4	108.0495	0.100	49	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5]C[5,6a]C[6a]C[5])(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]C[5])(O[5]C[5,6a])(O){1|C<4>,1|H<1>,5|C<3>}	108.5340	0.000	1	108.3793	0.049	3	108.0495	0.100	49	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5]C[5,6a]C[6a]C[5])(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]C[5])(O[5]C[5,6a])(O){7|C<3>}	108.3020	0.250	2	108.3793	0.049	3	108.0495	0.100	49	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5]C[5,6a]C[6a]C[6])(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]C[6])(O[5]C[5,6a])(O){1|H<1>,2|C<4>,4|C<3>}	107.4690	0.000	1	107.4690	0.000	1	108.0495	0.100	49	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(O){4|C<3>}	108.0650	0.000	1	108.0297	0.003	4	108.0495	0.100	49	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(O){4|C<3>}	108.0180	0.066	3	108.0297	0.003	4	108.0495	0.100	49	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5]C[5,6a]C[6a]N)(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]N)(O[5]C[5,6a])(O){4|C<3>}	108.2283	0.241	4	108.2283	0.058	4	108.0495	0.100	49	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5]C[5,6a]C[6a]O)(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]O)(O[5]C[5,6a])(O){4|C<3>}	108.0720	0.000	1	108.0720	0.000	1	108.0495	0.100	49	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5]C[5,6a]C[6a]S)(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|H<1>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]S)(O[5]C[5,6a])(O){4|C<3>}	108.3210	0.000	1	108.3210	0.000	1	108.0495	0.100	49	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|O<1>,4|H<1>}	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(O){2|C<3>}	108.2280	0.000	1	108.2280	0.000	1	108.0495	0.100	49	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5])	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O){1|C<4>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(O[5]C[5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O){2|C<3>}	107.3740	0.000	1	107.3740	0.000	1	108.0495	0.100	49	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5,5]-4:O[5]-2:O-1:	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5]C[6a])(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(O[5]C[5,6a])(O)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,5]O){1|N<3>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5]C[6a])(O[5]C[5]){1|H<1>,1|N<3>,1|O<2>,2|O<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(O[5]C[5,6a])(O){6|C<3>}	106.9410	0.000	1	106.9410	0.000	1	106.9410	0.000	1	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5](C[5]C[5,6a]CN)(O[5]C[5,6a])(O)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]O){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CN)(O[5]C[5,6a])(O){2|C<3>}	106.8660	0.000	1	106.8660	0.000	1	107.0815	0.093	2	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5])	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(O)	O[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]O){1|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(O[5]C[5]){1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[6a]H)(O[5]C[5,6a])(O){4|C<3>}	107.2970	0.000	1	107.2970	0.000	1	107.0815	0.093	2	107.9691	0.146	76	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:O[5]-2:N-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5,6a])(NS)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]N){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(O[5]C[5,6a])(NS){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	107.7620	0.000	1	107.7620	0.000	1	107.7620	0.000	1	107.7620	0.000	1	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:3:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5,5]-4:O[5]-2:C-3:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5,5]C[5,6a]N[5]O[5])(O[5]C[5,6a])(CC[6a]H)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(O[5]C[5]){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]N[5]O[5])(O[5]C[5,6a])(CC[6a]H){1|C<4>,1|O<2>,3|C<3>}	107.7080	0.000	1	107.7080	0.000	1	107.7080	0.000	1	107.4275	0.044	4	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:3:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-4:O[5]-2:C-3:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CCH)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HO)(O[5]C[5,6a])(CCH){2|C<3>}	107.4650	0.000	1	107.4650	0.000	1	107.4650	0.000	1	107.4275	0.044	4	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:2:3:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-4:O[5]-2:C[5]-3:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]C[5]2)	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	107.2685	0.025	2	107.2685	0.001	2	107.2685	0.001	2	107.4275	0.044	4	106.3197	2.913	263	106.2144	2.604	310
976	727	818	5:SP2_SP2_SP2	O[5]	C[5,6a]	C[5]	3:3:	3:3:2:	4:3:2:	C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[5]-4:C[6a]-3:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5])	C[5](C[5]C[5,6a]C[5a]H)(C[6a]C[6a]2)(O[5]C[5,6a])	O[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(O[5]C[5]){2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5a]H)(C[6a]C[6a]2)(O[5]C[5,6a]){1|S<2>,2|H<1>,5|C<3>}	106.3030	0.000	1	106.3030	0.000	1	106.3030	0.000	1	106.3030	0.000	1	106.3197	2.913	263	106.2144	2.604	310
976	727	885	5:SP2_SP-NON_SP2	O[5]	C[5,6a]	Ga[5,5]	3:4:	3:3:2:	3:3:2:2:	C[5,6a]-3:Ga[5,5]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]N[5]2O[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]Ga[5,5])	Ga[5,5](N[5]C[5,5]C[6a])2(O[5]C[5,6a])2	O[5](C[5,6a]C[5,6a]C[6a])(Ga[5,5]N[5]2O[5]){1|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]C)(O[5]Ga[5,5]){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	Ga[5,5](N[5]C[5,5]C[6a])2(O[5]C[5,6a])2{8|C<3>}	107.6690	0.158	2	107.6690	0.025	2	107.6690	0.025	2	107.6690	0.025	2	107.6690	0.025	2	110.2207	19.546	3
976	727	885	5:SP2_SP-NON_SP2	O[5]	C[5,6a]	Ga[5]	3:4:	3:3:2:	3:2:4:4:	C[5,6a]-3:Ga[5]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5]-3:O[5]-2:C-4:C-4:	O[5](C[5,6a]C[5,6a]C[6a])(Ga[5]N[5]CC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]Ga[5])	Ga[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2	O[5](C[5,6a]C[5,6a]C[6a])(Ga[5]N[5]CC){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(O[5]Ga[5]){2|C<3>,2|C<4>,2|H<1>}	Ga[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2{2|C<3>}	115.3240	0.000	1	115.3240	0.000	1	115.3240	0.000	1	115.3240	0.000	1	115.3240	0.000	1	110.2207	19.546	3
976	727	894	5:SP2_SP2_SPD6	O[5]	C[5,6a]	P[3x5]	3:6:	3:3:2:	2:2:2:2:2:2:	C[5,6a]-3:P[3x5]-6:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(P[3x5]O[5]5)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[3x5])	P[3x5](O[5]C[5,6a])6	O[5](C[5,6a]C[5,6a]C[6a])(P[3x5]O[5]5){1|Cl<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[3x5]){2|Cl<1>,1|C<3>,4|O<2>}	P[3x5](O[5]C[5,6a])6{6|C<3>}	111.2573	0.762	73	111.2573	0.581	73	111.3663	0.469	102	111.3663	0.469	102	111.3858	0.492	104	111.3858	0.492	104
976	727	894	5:SP2_SP2_SPD6	O[5]	C[5,6a]	P[3x5]	3:6:	3:3:2:	2:2:2:2:2:2:	C[5,6a]-3:P[3x5]-6:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(P[3x5]O[5]5)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[3x5])	P[3x5](O[5]C[5,6a])6	O[5](C[5,6a]C[5,6a]C[6a])(P[3x5]O[5]5){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[3x5]){1|C<3>,2|H<1>,4|O<2>}	P[3x5](O[5]C[5,6a])6{6|C<3>}	111.6404	0.301	29	111.6404	0.091	29	111.3663	0.469	102	111.3663	0.469	102	111.3858	0.492	104	111.3858	0.492	104
976	727	894	5:SP2_SP2_SPD6	O[5]	C[5,6a]	P[3x5]	6:3:	3:3:2:	3:3:3:3:2:2:	P[3x5]-6:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5,6]-3:N[5,6]-3:N[5,5,6]-3:C[6a]-3:O[5]-2:O[5]-2:	O[5](P[3x5]N[5,5,6]N[5,6]2C[6a]O[5])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[3x5])	P[3x5](N[5,6]C[5,6]C[6])2(N[5,5,6]C[5,6]2)(C[6a]C[6a]2)(O[5]C[5,6a])2	O[5](P[3x5]N[5,5,6]N[5,6]2C[6a]O[5])(C[5,6a]C[5,6a]C[6a]){10|C<3>,1|Cl<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Cl)(O[5]P[3x5]){2|Cl<1>,2|C<3>,3|N<3>}	P[3x5](N[5,6]C[5,6]C[6])2(N[5,5,6]C[5,6]2)(C[6a]C[6a]2)(O[5]C[5,6a])2{10|C<3>,4|H<1>}	112.3805	1.119	2	112.3805	1.253	2	112.3805	1.253	2	112.3805	1.253	2	111.3858	0.492	104	111.3858	0.492	104
976	727	928	5:SP2_SP2_SPD6	O[5]	C[5,6a]	Si[3x5]	3:6:	3:3:2:	2:2:2:2:2:2:	C[5,6a]-3:Si[3x5]-6:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:	O[5](C[5,6a]C[5,6a]C[6a])(Si[3x5]O[5]5)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Si[3x5])	Si[3x5](O[5]C[5,6a])6	O[5](C[5,6a]C[5,6a]C[6a])(Si[3x5]O[5]5){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]Si[3x5]){1|C<3>,2|H<1>,4|O<2>}	Si[3x5](O[5]C[5,6a])6{6|C<3>}	111.8540	0.297	6	111.8540	0.088	6	111.8540	0.088	6	111.8540	0.088	6	111.0900	2.076	8	111.4434	4.105	11
976	727	928	5:SP2_SP2_SPD6	O[5]	C[5,6a]	Si[3x5]	6:3:	3:3:2:	3:3:3:3:2:2:	Si[3x5]-6:C[5,6a]-3:	C[6a,6a]-3:C[5,6a]-3:O[5]-2:	N[5,6a]-3:N[5,6a]-3:N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:	O[5](Si[3x5]N[5,6a]2N[5,6]2O[5])(C[5,6a]C[6a,6a]C[5,6a])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]Si[3x5])	Si[3x5](N[5,6a]C[5,6a,6a]C[6a])2(N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2	O[5](Si[3x5]N[5,6a]2N[5,6]2O[5])(C[5,6a]C[6a,6a]C[5,6a]){11|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]O[5])(O[5]Si[3x5]){1|H<1>,4|C<3>,4|N<3>}	Si[3x5](N[5,6a]C[5,6a,6a]C[6a])2(N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2{10|C<3>,4|H<1>}	108.7980	0.291	2	108.7980	0.085	2	108.7980	0.085	2	108.7980	0.085	2	111.0900	2.076	8	111.4434	4.105	11
976	727	928	5:SP2_SP2_SPD6	O[5]	C[5,6a]	Si[5,5]	3:6:	3:3:2:	2:2:2:2:2:2:	C[5,6a]-3:Si[5,5]-6:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:O-2:O-2:	O[5](C[5,6a]C[5,6a]C[6a])(Si[5,5]O[5]3OO)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Br)(O[5]Si[5,5])	Si[5,5](O[5]C[5,6a])4(OP)2	O[5](C[5,6a]C[5,6a]C[6a])(Si[5,5]O[5]3OO){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Br)(O[5]Si[5,5]){2|Br<1>,1|C<3>,4|O<2>}	Si[5,5](O[5]C[5,6a])4(OP)2{4|C<3>}	110.4360	0.201	2	110.4360	0.040	2	110.4360	0.040	2	110.4360	0.040	2	110.4360	0.040	2	111.4434	4.105	11
976	727	928	5:SP2_SP2_SPD6	O[5]	C[5,6a]	Si[5,6]	6:3:	3:3:2:	3:3:3:2:2:3:	Si[5,6]-6:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5a]-3:N[5,6]-3:C[6a]-3:O[5]-2:O[6]-2:N[5]-3:	O[5](Si[5,6]N[5,6]C[6a]N[5a]N[5]O[6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]Si[5,6])	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])(N[5]C[5]2)	O[5](Si[5,6]N[5,6]C[6a]N[5a]N[5]O[6])(C[5,6a]C[5,6a]C[6a]){10|C<3>,1|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]Si[5,6]){1|O<2>,2|H<1>,2|N<3>,3|C<3>}	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])(N[5]C[5]2){2|N<3>,2|O<1>,2|O<2>,4|H<1>,7|C<3>}	116.2850	0.000	1	116.2850	0.000	1	116.2850	0.000	1	116.2850	0.000	1	116.2850	0.000	1	111.4434	4.105	11
976	727	931	5:SP2_SP2_SPD5	O[5]	C[5,6a]	Si[3x5]	5:3:	3:3:2:	4:2:2:2:3:	Si[3x5]-5:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[3x5]-4:O[5]-2:O[5]-2:O[5]-2:O-3:	O[5](Si[3x5]C[3x5]O[5]2O)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]Si[3x5])	Si[3x5](C[3x5]C[5,6a]3)(O[5]C[5,6a])3(OHH)	O[5](Si[3x5]C[3x5]O[5]2O)(C[5,6a]C[5,6a]C[6a]){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)(O[5]Si[3x5]){1|O<3>,2|H<1>,2|O<2>,3|C<3>}	Si[3x5](C[3x5]C[5,6a]3)(O[5]C[5,6a])3(OHH){6|C<3>}	113.3810	0.105	3	113.3810	0.011	3	113.3810	0.011	3	113.3810	0.011	3	113.3810	0.011	3	113.1177	4.355	27
976	727	931	5:SP2_SP2_SPD5	O[5]	C[5,6a]	Si[5,5]	3:5:	3:3:2:	2:2:2:2:2:	C[5,6a]-3:Si[5,5]-5:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:O-2:	O[5](C[5,6a]C[5,6a]C[6a])(Si[5,5]O[5]3O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Br)(O[5]Si[5,5])	Si[5,5](O[5]C[5,6a])4(OP)	O[5](C[5,6a]C[5,6a]C[6a])(Si[5,5]O[5]3O){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]Br)(O[5]Si[5,5]){2|Br<1>,1|C<3>,3|O<2>}	Si[5,5](O[5]C[5,6a])4(OP){4|C<3>}	112.1706	0.748	8	112.1706	0.559	8	111.7733	0.565	16	111.7733	0.565	16	112.8847	4.679	21	113.1177	4.355	27
976	727	931	5:SP2_SP2_SPD5	O[5]	C[5,6a]	Si[5,5]	3:5:	3:3:2:	2:2:2:2:2:	C[5,6a]-3:Si[5,5]-5:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:O-2:	O[5](C[5,6a]C[5,6a]C[6a])(Si[5,5]O[5]3O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]F)(O[5]Si[5,5])	Si[5,5](O[5]C[5,6a])4(OP)	O[5](C[5,6a]C[5,6a]C[6a])(Si[5,5]O[5]3O){1|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]F)(O[5]Si[5,5]){1|C<3>,2|F<1>,3|O<2>}	Si[5,5](O[5]C[5,6a])4(OP){4|C<3>}	111.3759	0.538	8	111.3759	0.289	8	111.7733	0.565	16	111.7733	0.565	16	112.8847	4.679	21	113.1177	4.355	27
976	727	931	5:SP2_SP2_SPD5	O[5]	C[5,6a]	Si[5,5]	5:3:	3:3:2:	3:2:2:4:4:	Si[5,5]-5:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5,5]-3:O[5]-2:O[5]-2:C-4:C-4:	O[5](Si[5,5]N[5,5]O[5]CC)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]C)(O[5]Si[5,5])	Si[5,5](N[5,5]C[5,6a]2)(O[5]C[5,6a])2(CH3)2	O[5](Si[5,5]N[5,5]O[5]CC)(C[5,6a]C[5,6a]C[6a]){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]C)(O[5]Si[5,5]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	Si[5,5](N[5,5]C[5,6a]2)(O[5]C[5,6a])2(CH3)2{4|C<3>}	116.2290	0.028	2	116.2290	0.001	2	116.2290	0.001	2	116.2290	0.001	2	112.8847	4.679	21	113.1177	4.355	27
976	727	931	5:SP2_SP2_SPD5	O[5]	C[5,6a]	Si[5,5]	5:3:	3:3:2:	3:3:3:2:4:	Si[5,5]-5:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5,5a]-3:N[5,5]-3:C[6a]-3:O[5]-2:C-4:	O[5](Si[5,5]N[5,5a]N[5,5]C[6a]C)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(O[5]Si[5,5])	Si[5,5](N[5,5a]C[5,5a]C[5a])(N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])(CH3)	O[5](Si[5,5]N[5,5a]N[5,5]C[6a]C)(C[5,6a]C[5,6a]C[6a]){1|H<1>,7|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(O[5]Si[5,5]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	Si[5,5](N[5,5a]C[5,5a]C[5a])(N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)(O[5]C[5,6a])(CH3){4|H<1>,6|C<3>}	117.1525	0.047	2	117.1525	0.002	2	117.1525	0.002	2	117.1525	0.002	2	112.8847	4.679	21	113.1177	4.355	27
976	727	931	5:SP2_SP2_SPD5	O[5]	C[5,6a]	Si[5,5]	5:3:	3:3:2:	3:3:3:3:2:	Si[5,5]-5:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5,5]-3:N[5,5]-3:C[6a]-3:C[6a]-3:O[5]-2:	O[5](Si[5,5]N[5,5]2C[6a]2)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(O[5]Si[5,5])	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)2(O[5]C[5,6a])	O[5](Si[5,5]N[5,5]2C[6a]2)(C[5,6a]C[5,6a]C[6a]){1|H<1>,1|N<3>,8|C<3>}	C[5,6a](C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)(O[5]Si[5,5]){1|N<3>,2|H<1>,4|C<3>}	Si[5,5](N[5,5]C[5,6a]C[5])(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)2(O[5]C[5,6a]){1|C<4>,1|O<1>,4|H<1>,8|C<3>}	115.4430	0.000	1	115.4430	0.000	1	115.4430	0.000	1	115.4430	0.000	1	112.8847	4.679	21	113.1177	4.355	27
976	727	931	5:SP2_SP2_SPD5	O[5]	C[5,6a]	Si[5,6]	5:3:	3:3:2:	3:3:3:2:2:	Si[5,6]-5:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5a]-3:N[5,6]-3:C[6a]-3:O[5]-2:O[6]-2:	O[5](Si[5,6]N[5,6]C[6a]N[5a]O[6])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]Si[5,6])	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])	O[5](Si[5,6]N[5,6]C[6a]N[5a]O[6])(C[5,6a]C[5,6a]C[6a]){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]Si[5,6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6]){1|N<3>,2|H<1>,2|O<1>,2|O<2>,6|C<3>}	115.9245	0.499	2	115.9245	0.249	2	115.9245	0.249	2	115.9245	0.249	2	114.4857	6.335	3	113.1177	4.355	27
976	727	931	5:SP2_SP2_SPD5	O[5]	C[5,6a]	Si[5,6]	5:3:	3:3:2:	3:4:2:2:4:	Si[5,6]-5:C[5,6a]-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	N[5,6]-3:Si[5]-4:O[5]-2:O[6]-2:C-4:	O[5](Si[5,6]N[5,6]Si[5]O[6]C)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]Si[5,6])	Si[5,6](N[5,6]C[5,6a]C[6])(Si[5]N[5]2C)(O[5]C[5,6a])(O[6]C[6,6a])(CH3)	O[5](Si[5,6]N[5,6]Si[5]O[6]C)(C[5,6a]C[5,6a]C[6a]){1|C<4>,1|H<1>,2|N<3>,4|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)(O[5]Si[5,6]){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	Si[5,6](N[5,6]C[5,6a]C[6])(Si[5]N[5]2C)(O[5]C[5,6a])(O[6]C[6,6a])(CH3){2|C<4>,7|C<3>}	111.6080	0.000	1	111.6080	0.000	1	111.6080	0.000	1	111.6080	0.000	1	114.4857	6.335	3	113.1177	4.355	27
976	727	955	5:SP2_SP2_SP3	O[5]	C[5,6a]	P[5,6]	3:4:	3:3:2:	2:2:2:2:	C[5,6a]-3:P[5,6]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5]-2:O[5]-2:N[6]-2:N[6]-2:	O[5](C[5,6a]C[5,6a]C[6a])(P[5,6]N[6]2O[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]P[5,6])	P[5,6](O[5]C[5,6a])2(N[6]P[5,6])2	O[5](C[5,6a]C[5,6a]C[6a])(P[5,6]N[6]2O[5]){1|H<1>,2|C<3>,2|P<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a,6a]H)(O[5]P[5,6]){1|H<1>,2|C<3>,2|N<2>}	P[5,6](O[5]C[5,6a])2(N[6]P[5,6])2{1|N<2>,2|C<3>,4|O<2>}	109.7775	0.176	6	109.7775	0.031	6	109.7518	0.025	8	109.7518	0.025	8	109.7518	0.025	8	109.6499	0.066	12
976	727	955	5:SP2_SP2_SP3	O[5]	C[5,6a]	P[5,6]	3:4:	3:3:2:	2:2:2:2:	C[5,6a]-3:P[5,6]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5]-2:O[5]-2:N[6]-2:N[6]-2:	O[5](C[5,6a]C[5,6a]C[6a])(P[5,6]N[6]2O[5])	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5,6])	P[5,6](O[5]C[5,6a])2(N[6]P[6])2	O[5](C[5,6a]C[5,6a]C[6a])(P[5,6]N[6]2O[5]){1|H<1>,2|C<3>,2|P<4>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5,6]){1|C<3>,2|H<1>,2|N<2>}	P[5,6](O[5]C[5,6a])2(N[6]P[6])2{1|N<2>,2|C<3>,4|O<2>}	109.6745	0.073	2	109.6745	0.005	2	109.7518	0.025	8	109.7518	0.025	8	109.7518	0.025	8	109.6499	0.066	12
976	727	955	5:SP2_SP2_SP3	O[5]	C[5,6a]	P[5]	3:4:	3:3:2:	2:2:1:1:	C[5,6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5]-2:O[5]-2:S-1:S-1:	O[5](C[5,6a]C[5,6a]C[6a])(P[5]O[5]SS)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5])	P[5](O[5]C[5,6a])2(S)2	O[5](C[5,6a]C[5,6a]C[6a])(P[5]O[5]SS){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5]){1|C<3>,2|H<1>,2|S<1>}	P[5](O[5]C[5,6a])2(S)2{2|C<3>}	109.6835	0.267	2	109.6835	0.071	2	109.6835	0.071	2	109.6835	0.071	2	109.4463	0.102	4	109.6499	0.066	12
976	727	955	5:SP2_SP2_SP3	O[5]	C[5,6a]	P[5]	3:4:	3:3:2:	2:2:4:4:	C[5,6a]-3:P[5]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	O[5]-2:O[5]-2:B-4:C-4:	O[5](C[5,6a]C[5,6a]C[6a])(P[5]O[5]BC)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5])	P[5](O[5]C[5,6a])2(BC[6a]3)(CC3)	O[5](C[5,6a]C[5,6a]C[6a])(P[5]O[5]BC){1|H<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(O[5]P[5]){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	P[5](O[5]C[5,6a])2(BC[6a]3)(CC3){2|C<3>}	109.2090	0.092	2	109.2090	0.008	2	109.2090	0.008	2	109.2090	0.008	2	109.4463	0.102	4	109.6499	0.066	12
976	727	964	5:SP2_SP2_SPD6	O[5]	C[5,6a]	Si[4,4,5]	3:6:	3:2:3:	2:2:3:3:3:3:	C[5,6a]-3:Si[4,4,5]-6:	C[5,6a]-3:O[5]-2:C[6a]-3:	O[5]-2:O[5]-2:N[4]-3:N[4]-3:N[4]-3:N[4]-3:	O[5](C[5,6a]C[5,6a]C[6a])(Si[4,4,5]N[4]4O[5])	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Si[4,4,5])(C[6a]C[6a]C)	Si[4,4,5](O[5]C[5,6a])2(N[4]C[4]C)4	O[5](C[5,6a]C[5,6a]C[6a])(Si[4,4,5]N[4]4O[5]){4|C<3>,5|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Si[4,4,5])(C[6a]C[6a]C){1|C<3>,2|H<1>,4|N<3>}	Si[4,4,5](O[5]C[5,6a])2(N[4]C[4]C)4{4|C<3>}	110.9540	0.000	1	110.9540	0.000	1	110.6620	0.171	2	110.6620	0.171	2	110.6620	0.171	2	114.5908	11.229	10
976	727	964	5:SP2_SP2_SPD6	O[5]	C[5,6a]	Si[4,4,5]	3:6:	3:2:3:	2:2:3:3:3:3:	C[5,6a]-3:Si[4,4,5]-6:	C[5,6a]-3:O[5]-2:C[6a]-3:	O[5]-2:O[5]-2:N[4]-3:N[4]-3:N[4]-3:N[4]-3:	O[5](C[5,6a]C[5,6a]C[6a])(Si[4,4,5]N[4]4O[5])	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Si[4,4,5])(C[6a]C[6a]H)	Si[4,4,5](O[5]C[5,6a])2(N[4]C[4]C)4	O[5](C[5,6a]C[5,6a]C[6a])(Si[4,4,5]N[4]4O[5]){1|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Si[4,4,5])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|N<3>}	Si[4,4,5](O[5]C[5,6a])2(N[4]C[4]C)4{4|C<3>}	110.3700	0.000	1	110.3700	0.000	1	110.6620	0.171	2	110.6620	0.171	2	110.6620	0.171	2	114.5908	11.229	10
976	727	964	5:SP2_SP2_SPD6	O[5]	C[5,6a]	Si[4,5,5]	6:3:	3:2:3:	3:2:2:2:3:3:	Si[4,5,5]-6:C[5,6a]-3:	C[5,6,6a]-3:O[5]-2:C[6a]-3:	N[5,6]-3:O[5]-2:O[5]-2:O[5]-2:N[4]-3:N[4]-3:	O[5](Si[4,5,5]N[5,6]N[4]2O[5]2)(C[5,6a]C[5,6,6a]C[6a])	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(O[5]Si[4,5,5])(C[6a]C[6a]H)	Si[4,5,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])3(N[4]C[4]C)2	O[5](Si[4,5,5]N[5,6]N[4]2O[5]2)(C[5,6a]C[5,6,6a]C[6a]){1|H<1>,2|C<4>,6|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(O[5]Si[4,5,5])(C[6a]C[6a]H){1|H<1>,2|N<3>,2|O<2>,3|C<3>}	Si[4,5,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])3(N[4]C[4]C)2{1|H<1>,6|C<3>}	117.0190	0.000	1	117.0190	0.000	1	117.0190	0.000	1	112.8360	13.133	3	112.8360	13.133	3	114.5908	11.229	10
976	727	964	5:SP2_SP2_SPD6	O[5]	C[5,6a]	Si[4,5,5]	6:3:	3:2:3:	3:2:2:2:3:3:	Si[4,5,5]-6:C[5,6a]-3:	C[5,6a]-3:O[5]-2:C[6a]-3:	N[5,6]-3:O[5]-2:O[5]-2:O[5]-2:N[4]-3:N[4]-3:	O[5](Si[4,5,5]N[5,6]N[4]2O[5]2)(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Si[4,5,5])(C[6a]C[6a]H)	Si[4,5,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])3(N[4]C[4]C)2	O[5](Si[4,5,5]N[5,6]N[4]2O[5]2)(C[5,6a]C[5,6a]C[6a]){1|H<1>,2|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(O[5]Si[4,5,5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|N<3>}	Si[4,5,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])3(N[4]C[4]C)2{1|H<1>,6|C<3>}	110.7445	0.138	2	110.7445	0.019	2	110.7445	0.019	2	112.8360	13.133	3	112.8360	13.133	3	114.5908	11.229	10
976	727	964	5:SP2_SP2_SPD6	O[5]	C[5,6a]	Si[4,5]	3:6:	3:3:2:	3:2:3:3:2:2:	C[5,6a]-3:Si[4,5]-6:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:N-2:N-2:	O[5](C[5,6a]C[5,6,6a]C[6a])(Si[4,5]N[5,6]N[4]2NN)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5])	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NC)2	O[5](C[5,6a]C[5,6,6a]C[6a])(Si[4,5]N[5,6]N[4]2NN){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5]){1|H<1>,2|N<2>,2|N<3>,3|C<3>}	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NC)2{1|H<1>,4|C<3>}	117.1580	0.182	2	117.1580	0.033	2	117.2167	0.027	3	117.2167	0.027	3	117.2152	0.019	5	114.5908	11.229	10
976	727	964	5:SP2_SP2_SPD6	O[5]	C[5,6a]	Si[4,5]	3:6:	3:3:2:	3:2:3:3:2:2:	C[5,6a]-3:Si[4,5]-6:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:N-2:N-2:	O[5](C[5,6a]C[5,6,6a]C[6a])(Si[4,5]N[5,6]N[4]2NN)	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5])	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NN)2	O[5](C[5,6a]C[5,6,6a]C[6a])(Si[4,5]N[5,6]N[4]2NN){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5]){1|H<1>,2|N<2>,2|N<3>,3|C<3>}	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NN)2{1|H<1>,4|C<3>}	117.3340	0.000	1	117.3340	0.000	1	117.2167	0.027	3	117.2167	0.027	3	117.2152	0.019	5	114.5908	11.229	10
976	727	964	5:SP2_SP2_SPD6	O[5]	C[5,6a]	Si[4,5]	6:3:	3:3:2:	3:2:3:3:1:1:	Si[4,5]-6:C[5,6a]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:Br-1:Br-1:	O[5](Si[4,5]N[5,6]N[4]2Br2)(C[5,6a]C[5,6,6a]C[6a])	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5])	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(Br)2	O[5](Si[4,5]N[5,6]N[4]2Br2)(C[5,6a]C[5,6,6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5]){2|Br<1>,1|H<1>,2|N<3>,3|C<3>}	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(Br)2{1|H<1>,4|C<3>}	117.1060	0.000	1	117.1060	0.000	1	117.1060	0.000	1	117.2130	0.023	2	117.2152	0.019	5	114.5908	11.229	10
976	727	964	5:SP2_SP2_SPD6	O[5]	C[5,6a]	Si[4,5]	6:3:	3:3:2:	3:2:3:3:1:1:	Si[4,5]-6:C[5,6a]-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:Cl-1:Cl-1:	O[5](Si[4,5]N[5,6]N[4]2Cl2)(C[5,6a]C[5,6,6a]C[6a])	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5])	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(Cl)2	O[5](Si[4,5]N[5,6]N[4]2Cl2)(C[5,6a]C[5,6,6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6a]C[6a]H)(O[5]Si[4,5]){2|Cl<1>,1|H<1>,2|N<3>,3|C<3>}	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(Cl)2{1|H<1>,4|C<3>}	117.3200	0.000	1	117.3200	0.000	1	117.3200	0.000	1	117.2130	0.023	2	117.2152	0.019	5	114.5908	11.229	10
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	2:2:2:2:	2:3:1:	B[5,5]-4:C[5]-3:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	O[5]-2:C[5]-3:O-1:	O[5](B[5,5]O[5]3)(C[5]C[5]O)	B[5,5](O[5]C[5])4	C[5](O[5]B[5,5])(C[5]O[5]O)(O)	O[5](B[5,5]O[5]3)(C[5]C[5]O){1|O<1>,2|C<3>}	B[5,5](O[5]C[5])4{4|O<1>}	C[5](O[5]B[5,5])(C[5]O[5]O)(O){2|O<2>}	109.6070	0.000	1	109.6070	0.000	1	109.6070	0.000	1	109.6070	0.000	1	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	2:2:2:2:	4:2:1:	B[5,5]-4:C[5]-3:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](B[5,5]O[5]3)(C[5]C[5]O)	B[5,5](O[5]C[5])4	C[5](C[5]C[6a]O[5]H)(O[5]B[5,5])(O)	O[5](B[5,5]O[5]3)(C[5]C[5]O){1|C<4>,1|H<1>,2|C<3>}	B[5,5](O[5]C[5])4{2|C<3>,2|H<1>,2|O<1>}	C[5](C[5]C[6a]O[5]H)(O[5]B[5,5])(O){2|C<3>,2|O<2>}	110.4359	0.580	19	110.4359	0.337	19	110.2532	0.351	31	110.2532	0.351	31	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	2:2:2:2:	4:2:1:	B[5,5]-4:C[5]-3:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](B[5,5]O[5]3)(C[5]C[5]O)	B[5,5](O[5]C[5])4	C[5](C[5]O[5]CC)(O[5]B[5,5])(O)	O[5](B[5,5]O[5]3)(C[5]C[5]O){1|C<3>,3|C<4>}	B[5,5](O[5]C[5])4{2|O<1>,4|C<4>}	C[5](C[5]O[5]CC)(O[5]B[5,5])(O){2|O<2>}	110.2653	0.243	3	110.2653	0.059	3	110.2532	0.351	31	110.2532	0.351	31	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	2:2:2:2:	4:2:1:	B[5,5]-4:C[5]-3:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](B[5,5]O[5]3)(C[5]C[5]O)	B[5,5](O[5]C[5])4	C[5](C[5]O[5]CH)(O[5]B[5,5])(O)	O[5](B[5,5]O[5]3)(C[5]C[5]O){1|C<3>,1|H<1>,2|C<4>}	B[5,5](O[5]C[5])4{2|C<4>,2|H<1>,2|O<1>}	C[5](C[5]O[5]CH)(O[5]B[5,5])(O){2|O<2>}	109.6504	0.361	7	109.6504	0.131	7	110.2532	0.351	31	110.2532	0.351	31	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	2:2:2:2:	4:2:1:	B[5,5]-4:C[5]-3:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](B[5,5]O[5]3)(C[5]C[5]O)	B[5,5](O[5]C[5])4	C[5](C[5]O[5]CP)(O[5]B[5,5])(O)	O[5](B[5,5]O[5]3)(C[5]C[5]O){1|C<3>,1|P<4>,2|C<4>}	B[5,5](O[5]C[5])4{1|P<4>,1|P<5>,2|C<4>,2|O<1>}	C[5](C[5]O[5]CP)(O[5]B[5,5])(O){2|O<2>}	110.8810	0.000	1	110.8810	0.000	1	110.2532	0.351	31	110.2532	0.351	31	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	2:2:2:2:	4:2:1:	B[5,5]-4:C[5]-3:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](B[5,5]O[5]3)(C[5]C[5]O)	B[5,5](O[5]C[5])4	C[5](C[5]O[5]P[3]C)(O[5]B[5,5])(O)	O[5](B[5,5]O[5]3)(C[5]C[5]O){1|C<3>,1|P<5>,2|C<4>}	B[5,5](O[5]C[5])4{1|P<4>,1|P<5>,2|C<4>,2|O<1>}	C[5](C[5]O[5]P[3]C)(O[5]B[5,5])(O){1|H<2>,2|O<1>,3|O<2>}	110.3380	0.000	1	110.3380	0.000	1	110.2532	0.351	31	110.2532	0.351	31	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	3:2:2:2:	3:2:3:	B[5,5]-4:C[5]-3:	C[5]-3:O[5]-2:O[5]-2:O[5]-2:	C[5]-3:O[5]-2:N-3:	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]N)	B[5,5](C[5]C[6a]C[5])(O[5]C[5])3	C[5](C[5]C[6a]C[5])(O[5]B[5,5])(NC[6a]H)	O[5](B[5,5]C[5]O[5]2)(C[5]C[5]N){2|C<3>,2|C<4>}	B[5,5](C[5]C[6a]C[5])(O[5]C[5])3{1|N<3>,3|C<3>,4|C<4>}	C[5](C[5]C[6a]C[5])(O[5]B[5,5])(NC[6a]H){2|O<2>,3|C<3>}	109.0730	0.000	1	109.0730	0.000	1	109.0730	0.000	1	109.0730	0.000	1	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	3:4:2:2:	4:2:1:	B[5,5]-4:C[5]-3:	C[5,6a]-3:N[3x5]-4:O[5]-2:O-2:	C[5,5]-4:O[5]-2:O-1:	O[5](B[5,5]C[5,6a]N[3x5]O)(C[5]C[5,5]O)	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH)	C[5](C[5,5]N[3x5]C[5]H)(O[5]B[5,5])(O)	O[5](B[5,5]C[5,6a]N[3x5]O)(C[5]C[5,5]O){2|C<3>,2|C<4>,2|H<1>}	B[5,5](C[5,6a]C[5,6a]C[6a])(N[3x5]C[5,5]2H)(O[5]C[5])(OH){1|C<4>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[5](C[5,5]N[3x5]C[5]H)(O[5]B[5,5])(O){1|C<3>,1|C<4>,1|O<2>,1|S<2>,3|H<1>}	114.1010	0.337	2	114.1010	0.113	2	114.1010	0.113	2	113.4535	0.626	24	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	3:4:2:2:	4:2:1:	B[5,5]-4:C[5]-3:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O)	B[5,5](C[5a]C[5a,6a]C[5a])(N[5,5]C[5]2C)(O[5]C[5])2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O){2|C<4>,2|H<1>,3|C<3>}	B[5,5](C[5a]C[5a,6a]C[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|C<3>,1|O<2>,2|C<4>}	114.9535	0.599	2	114.9535	0.359	2	113.5357	0.591	18	113.4535	0.626	24	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	3:4:2:2:	4:2:1:	B[5,5]-4:C[5]-3:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O)	B[5,5](C[5a]C[5a]N[5a])(N[5,5]C[5]2C)(O[5]C[5])2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	B[5,5](C[5a]C[5a]N[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|C<3>,1|N<3>,2|O<1>,5|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|C<3>,1|O<2>,2|C<4>}	112.6130	0.301	2	113.1215	0.262	6	113.5357	0.591	18	113.4535	0.626	24	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	3:4:2:2:	4:2:1:	B[5,5]-4:C[5]-3:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O)	B[5,5](C[5a]C[5a]N[5a])(N[5,5]C[5]2C)(O[5]C[5])2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	B[5,5](C[5a]C[5a]N[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|C<3>,1|S<2>,2|O<1>,5|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|C<3>,1|O<2>,2|C<4>}	113.3757	0.385	4	113.1215	0.262	6	113.5357	0.591	18	113.4535	0.626	24	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	3:4:2:2:	4:2:1:	B[5,5]-4:C[5]-3:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O)	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|C<3>,1|N<2>,2|O<1>,5|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|C<3>,1|O<2>,2|C<4>}	112.8030	0.567	2	113.5006	0.369	10	113.5357	0.591	18	113.4535	0.626	24	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	3:4:2:2:	4:2:1:	B[5,5]-4:C[5]-3:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O)	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2{1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|C<3>,1|O<2>,2|C<4>}	113.5983	0.735	4	113.5006	0.369	10	113.5357	0.591	18	113.4535	0.626	24	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	3:4:2:2:	4:2:1:	B[5,5]-4:C[5]-3:	C[5a]-3:N[5,5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O)	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	O[5](B[5,5]N[5,5]C[5a]O[5])(C[5]C[5]O){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	B[5,5](C[5a]C[5a]S[5a])(N[5,5]C[5]2C)(O[5]C[5])2{2|C<3>,2|O<1>,5|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|C<3>,1|O<2>,2|C<4>}	113.7518	0.195	4	113.5006	0.369	10	113.5357	0.591	18	113.4535	0.626	24	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	3:4:2:2:	4:2:1:	B[5,5]-4:C[5]-3:	C[6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O)	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2{1|C<3>,1|N<2>,2|O<1>,5|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|C<3>,1|O<2>,2|C<4>}	113.0120	0.243	2	112.7597	0.452	4	112.7597	0.452	4	113.4535	0.626	24	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	3:4:2:2:	4:2:1:	B[5,5]-4:C[5]-3:	C[6a]-3:N[5,5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O)	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	B[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2C)(O[5]C[5])2{2|C<3>,2|O<1>,5|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|C<3>,1|O<2>,2|C<4>}	112.5075	1.020	2	112.7597	0.452	4	112.7597	0.452	4	113.4535	0.626	24	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	4:2:2:2:	2:2:3:	B[5,5]-4:C[5]-3:	C[5]-4:O[5]-2:O[5]-2:O[5]-2:	O[5]-2:O[5]-2:N-3:	O[5](B[5,5]C[5]O[5]2)(C[5]O[5]N)	B[5,5](C[5]O[5]CH)(O[5]C[5])3	C[5](O[5]B[5,5])(O[5]C[5])(NCC)	O[5](B[5,5]C[5]O[5]2)(C[5]O[5]N){1|H<1>,3|C<4>}	B[5,5](C[5]O[5]CH)(O[5]C[5])3{1|N<3>,4|C<4>}	C[5](O[5]B[5,5])(O[5]C[5])(NCC){1|C<4>,1|H<1>,2|O<2>}	109.4890	0.044	2	109.4890	0.002	2	109.4890	0.002	2	109.4890	0.002	2	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	4:2:2:2:	2:3:2:	B[5,5]-4:C[5]-3:	C[5]-4:O[5]-2:O[5]-2:O[5]-2:	O[5]-2:N[6]-3:O[5]-2:	O[5](B[5,5]C[5]O[5]2)(C[5]N[6]O[5])	B[5,5](C[5]O[5]SnH)(O[5]C[5])3	C[5](O[5]B[5,5])(N[6]C[6]2)(O[5]C[5])	O[5](B[5,5]C[5]O[5]2)(C[5]N[6]O[5]){1|Sn<4>,1|H<1>,4|C<4>}	B[5,5](C[5]O[5]SnH)(O[5]C[5])3{1|N<3>,2|C<4>,2|H<1>}	C[5](O[5]B[5,5])(N[6]C[6]2)(O[5]C[5]){1|Sn<4>,1|H<1>,2|O<2>,6|C<4>}	110.2590	0.000	1	110.2590	0.000	1	110.2590	0.000	1	110.2590	0.000	1	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	4:2:2:2:	2:3:4:	B[5,5]-4:C[5]-3:	C[5]-4:O[5]-2:O[5]-2:O[5]-2:	O[5]-2:N[5]-3:C-4:	O[5](B[5,5]C[5]O[5]2)(C[5]N[5]C)	B[5,5](C[5]C[6a]N[5]H)(O[5]C[5,6,6])2(O[5]C[5])	C[5](O[5]B[5,5])(N[5]C[5]H)(CH3)	O[5](B[5,5]C[5]O[5]2)(C[5]N[5]C){1|C<3>,2|C<4>,2|H<1>}	B[5,5](C[5]C[6a]N[5]H)(O[5]C[5,6,6])2(O[5]C[5]){2|C<3>,2|H<1>,4|C<4>}	C[5](O[5]B[5,5])(N[5]C[5]H)(CH3){1|C<3>,1|H<1>,2|O<2>}	107.2290	0.000	1	107.2290	0.000	1	107.2290	0.000	1	107.2290	0.000	1	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	4:2:2:2:	3:2:3:	B[5,5]-4:C[5]-3:	C[5]-4:O[5]-2:O[5]-2:O[5]-2:	C[6a]-3:O[5]-2:N[5]-3:	O[5](B[5,5]C[5]O[5]2)(C[5]C[6a]N[5])	B[5,5](C[5]N[5]CH)(O[5]C[5])3	C[5](C[6a]C[6a]2)(O[5]B[5,5])(N[5]C[5]C)	O[5](B[5,5]C[5]O[5]2)(C[5]C[6a]N[5]){1|H<1>,2|C<3>,4|C<4>}	B[5,5](C[5]N[5]CH)(O[5]C[5])3{1|C<3>,5|C<4>}	C[5](C[6a]C[6a]2)(O[5]B[5,5])(N[5]C[5]C){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	108.8780	0.000	1	108.8780	0.000	1	108.8780	0.000	1	108.8780	0.000	1	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	4:2:2:2:	4:2:1:	B[5,5]-4:C[5]-3:	N[5,5]-4:O[5]-2:O[5]-2:C-2:	C[5]-4:O[5]-2:O-1:	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC)	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC){2|O<1>,4|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|C<2>,1|O<2>,2|C<4>}	113.5816	0.868	10	113.5816	0.753	10	113.5816	0.753	10	113.5828	0.561	14	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	4:2:2:2:	4:2:1:	B[5,5]-4:C[5]-3:	N[5,5]-4:O[5]-2:O[5]-2:O-2:	C[5]-4:O[5]-2:O-1:	O[5](B[5,5]N[5,5]O[5]O)(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(OC)	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	O[5](B[5,5]N[5,5]O[5]O)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(OC){2|O<1>,4|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){2|C<4>,2|O<2>}	113.5858	0.411	4	113.5858	0.169	4	113.5858	0.169	4	113.5828	0.561	14	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	4:2:2:2:	4:2:3:	B[5,5]-4:C[5]-3:	C[5,5,6]-4:O[5]-2:O[5]-2:O[5]-2:	C[5,5,6]-4:O[5]-2:N-3:	O[5](B[5,5]C[5,5,6]O[5]2)(C[5]C[5,5,6]N)	B[5,5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])3	C[5](C[5,5,6]C[5,5,6]2H)(O[5]B[5,5])(NC[6a]H)	O[5](B[5,5]C[5,5,6]O[5]2)(C[5]C[5,5,6]N){2|H<1>,4|C<4>}	B[5,5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])3{1|N<3>,2|H<1>,7|C<4>}	C[5](C[5,5,6]C[5,5,6]2H)(O[5]B[5,5])(NC[6a]H){2|H<1>,2|O<2>,3|C<4>}	111.1420	0.000	1	111.1420	0.000	1	111.1420	0.000	1	111.1420	0.000	1	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	4:2:2:3:	4:2:1:	B[5,5]-4:C[5]-3:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	C[5]-4:O[5]-2:O-1:	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC)	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCC){2|O<1>,4|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|C<3>,1|O<2>,2|C<4>}	114.2690	0.672	2	114.2690	0.451	2	113.7877	1.011	24	113.7877	1.011	24	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	4:2:2:3:	4:2:1:	B[5,5]-4:C[5]-3:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	C[5]-4:O[5]-2:O-1:	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCH)	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCH){2|O<1>,4|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|C<3>,1|O<2>,2|C<4>}	114.5145	1.305	6	114.5145	1.703	6	113.7877	1.011	24	113.7877	1.011	24	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	4:2:2:3:	4:2:1:	B[5,5]-4:C[5]-3:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	C[5]-4:O[5]-2:O-1:	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCI)	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCI){2|O<1>,4|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|C<3>,1|O<2>,2|C<4>}	113.7750	0.476	4	113.7750	0.227	4	113.7877	1.011	24	113.7877	1.011	24	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	4:2:2:3:	4:2:1:	B[5,5]-4:C[5]-3:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	C[5]-4:O[5]-2:O-1:	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCO)	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCO){2|O<1>,4|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|C<3>,1|O<2>,2|C<4>}	112.9645	0.576	6	112.9645	0.332	6	113.7877	1.011	24	113.7877	1.011	24	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	4:2:2:3:	4:2:1:	B[5,5]-4:C[5]-3:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	C[5]-4:O[5]-2:O-1:	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[5]H)	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[5]H){2|O<1>,4|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|C<3>,1|O<2>,2|C<4>}	114.3845	0.487	2	114.3845	0.237	2	113.7877	1.011	24	113.7877	1.011	24	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	4:2:2:3:	4:2:1:	B[5,5]-4:C[5]-3:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	C[5]-4:O[5]-2:O-1:	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[6a]C)	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[6a]C){2|O<1>,4|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|C<3>,1|O<2>,2|C<4>}	113.5425	0.156	2	113.5425	0.024	2	113.7877	1.011	24	113.7877	1.011	24	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	4:2:2:3:	4:2:1:	B[5,5]-4:C[5]-3:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	C[5]-4:O[5]-2:O-1:	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	B[5,5](N[5,5]C[6,6]C[5]2)(O[5]C[5])2(CCH)	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	B[5,5](N[5,5]C[6,6]C[5]2)(O[5]C[5])2(CCH){2|C<4>,2|O<1>,5|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|C<3>,1|O<2>,2|C<4>}	113.2695	1.616	2	113.2695	2.611	2	113.7877	1.011	24	113.7877	1.011	24	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	4:2:2:4:	4:2:1:	B[5,5]-4:C[5]-3:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:O-1:	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CBrCH)	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CBrCH){2|O<1>,4|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|O<2>,3|C<4>}	113.1930	0.006	2	113.1930	0.000	2	113.6462	0.572	12	113.6462	0.572	12	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	4:2:2:4:	4:2:1:	B[5,5]-4:C[5]-3:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:O-1:	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCHI)	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CCHI){2|O<1>,4|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|O<2>,3|C<4>}	113.8513	0.853	6	113.8513	0.728	6	113.6462	0.572	12	113.6462	0.572	12	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	4:2:2:4:	4:2:1:	B[5,5]-4:C[5]-3:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:O-1:	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[6]CH)	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[6]CH){2|O<1>,4|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|O<2>,3|C<4>}	113.0245	0.684	2	113.0245	0.468	2	113.6462	0.572	12	113.6462	0.572	12	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	4:2:2:4:	4:2:1:	B[5,5]-4:C[5]-3:	N[5,5]-4:O[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:O-1:	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CHHN)	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CHHN){2|O<1>,4|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|O<2>,3|C<4>}	114.1060	0.570	2	114.1060	0.325	2	113.6462	0.572	12	113.6462	0.572	12	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	4:3:2:2:	4:2:1:	B[5,5]-4:C[5]-3:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O){2|C<4>,2|H<1>,3|C<3>}	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{1|Br<1>,2|C<3>,2|O<1>,5|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|C<3>,1|O<2>,2|C<4>}	115.0495	0.281	2	113.9284	0.687	17	113.9284	0.687	17	113.9284	0.687	17	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	4:3:2:2:	4:2:1:	B[5,5]-4:C[5]-3:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O){2|C<4>,2|H<1>,3|C<3>}	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{1|C<3>,1|C<4>,1|N<2>,2|O<1>,5|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|C<3>,1|O<2>,2|C<4>}	112.9105	0.306	2	113.9284	0.687	17	113.9284	0.687	17	113.9284	0.687	17	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	4:3:2:2:	4:2:1:	B[5,5]-4:C[5]-3:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O){2|C<4>,2|H<1>,3|C<3>}	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{1|F<1>,2|C<3>,2|O<1>,5|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|C<3>,1|O<2>,2|C<4>}	113.1190	0.000	1	113.9284	0.687	17	113.9284	0.687	17	113.9284	0.687	17	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	4:3:2:2:	4:2:1:	B[5,5]-4:C[5]-3:	N[5,5]-4:C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	O[5](B[5,5]N[5,5]C[6a]O[5])(C[5]C[5]O){2|C<4>,2|H<1>,3|C<3>}	B[5,5](N[5,5]C[5]2C)(C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|O<1>,6|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|C<3>,1|O<2>,2|C<4>}	113.9786	0.710	12	113.9284	0.687	17	113.9284	0.687	17	113.9284	0.687	17	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	4:4:2:2:	4:2:1:	B[5,5]-4:C[5]-3:	C[5]-4:N[5,5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](B[5,5]N[5,5]C[5]O[5])(C[5]C[5]O)	B[5,5](C[5]C[5]O[5]H)(N[5,5]C[5]2C)(O[5]C[5])2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	O[5](B[5,5]N[5,5]C[5]O[5])(C[5]C[5]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	B[5,5](C[5]C[5]O[5]H)(N[5,5]C[5]2C)(O[5]C[5])2{2|C<4>,2|O<1>,6|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|O<2>,3|C<4>}	112.6647	0.867	6	112.6647	0.752	6	112.6647	0.752	6	113.1536	1.098	26	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	4:4:2:2:	4:2:1:	B[5,5]-4:C[5]-3:	C[6]-4:N[5,5]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](B[5,5]N[5,5]C[6]O[5])(C[5]C[5]O)	B[5,5](C[6]C[6]O[6]H)(N[5,5]C[5]2C)(O[5]C[5])2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	O[5](B[5,5]N[5,5]C[6]O[5])(C[5]C[5]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	B[5,5](C[6]C[6]O[6]H)(N[5,5]C[5]2C)(O[5]C[5])2{2|C<4>,2|O<1>,6|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|O<2>,3|C<4>}	112.7315	0.769	2	112.7315	0.591	2	112.7315	0.591	2	113.1536	1.098	26	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	4:4:2:2:	4:2:1:	B[5,5]-4:C[5]-3:	N[5,5]-4:C-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(CN[5a]HH)(O[5]C[5])2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	O[5](B[5,5]N[5,5]O[5]C)(C[5]C[5]O){1|C<3>,2|C<4>,2|H<1>}	B[5,5](N[5,5]C[5]2C)(CN[5a]HH)(O[5]C[5])2{2|O<1>,4|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|O<2>,3|C<4>}	113.4850	0.785	4	113.4850	0.616	4	113.4850	0.616	4	113.1536	1.098	26	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	4:4:2:2:	4:2:1:	B[5,5]-4:C[5]-3:	N[5,5]-4:C[3]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](B[5,5]N[5,5]C[3]O[5])(C[5]C[5]O)	B[5,5](N[5,5]C[5]2C)(C[3]C[3]2H)(O[5]C[5])2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	O[5](B[5,5]N[5,5]C[3]O[5])(C[5]C[5]O){1|C<3>,3|H<1>,4|C<4>}	B[5,5](N[5,5]C[5]2C)(C[3]C[3]2H)(O[5]C[5])2{1|C<4>,2|O<1>,7|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|O<2>,3|C<4>}	113.4818	1.202	8	113.4818	1.445	8	113.3287	1.430	14	113.1536	1.098	26	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	4:4:2:2:	4:2:1:	B[5,5]-4:C[5]-3:	N[5,5]-4:C[3]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](B[5,5]N[5,5]C[3]O[5])(C[5]C[5]O)	B[5,5](N[5,5]C[6,6]C[5]2)(C[3]C[3]O[3]H)(O[5]C[5])2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	O[5](B[5,5]N[5,5]C[3]O[5])(C[5]C[5]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	B[5,5](N[5,5]C[6,6]C[5]2)(C[3]C[3]O[3]H)(O[5]C[5])2{1|C<3>,2|C<4>,2|O<1>,6|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|O<2>,3|C<4>}	113.0020	1.717	2	113.1247	1.608	6	113.3287	1.430	14	113.1536	1.098	26	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	4:4:2:2:	4:2:1:	B[5,5]-4:C[5]-3:	N[5,5]-4:C[3]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](B[5,5]N[5,5]C[3]O[5])(C[5]C[5]O)	B[5,5](N[5,5]C[6,6]C[5]2)(C[3]C[3]O[3]H)(O[5]C[5])2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	O[5](B[5,5]N[5,5]C[3]O[5])(C[5]C[5]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	B[5,5](N[5,5]C[6,6]C[5]2)(C[3]C[3]O[3]H)(O[5]C[5])2{2|C<4>,2|O<1>,7|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|O<2>,3|C<4>}	113.0320	1.591	2	113.1247	1.608	6	113.3287	1.430	14	113.1536	1.098	26	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,5]	C[5]	4:3:	4:4:2:2:	4:2:1:	B[5,5]-4:C[5]-3:	N[5,5]-4:C[3]-4:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](B[5,5]N[5,5]C[3]O[5])(C[5]C[5]O)	B[5,5](N[5,5]C[6,6]C[5]2)(C[3]C[3]O[3]H)(O[5]C[5])2	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O)	O[5](B[5,5]N[5,5]C[3]O[5])(C[5]C[5]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	B[5,5](N[5,5]C[6,6]C[5]2)(C[3]C[3]O[3]H)(O[5]C[5])2{2|O<1>,3|C<4>,6|H<1>}	C[5](C[5]N[5,5]HH)(O[5]B[5,5])(O){1|O<2>,3|C<4>}	113.3400	1.556	2	113.1247	1.608	6	113.3287	1.430	14	113.1536	1.098	26	112.6891	3.076	156	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,6,6]	C[5]	4:3:	3:4:4:2:	2:3:2:	B[5,6,6]-4:C[5]-3:	C[5]-3:C[6,6]-4:C[6,6]-4:O[5]-2:	O[5]-2:C[5]-3:O-2:	O[5](B[5,6,6]C[6,6]2C[5])(C[5]C[5]O)	B[5,6,6](C[5]C[6a]C[5])(C[6,6]C[6]2H)2(O[5]C[5])	C[5](O[5]B[5,6,6])(C[5]C[5]C)(OC)	O[5](B[5,6,6]C[6,6]2C[5])(C[5]C[5]O){1|C<3>,2|H<1>,5|C<4>}	B[5,6,6](C[5]C[6a]C[5])(C[6,6]C[6]2H)2(O[5]C[5]){1|O<2>,2|C<3>,3|C<4>,8|H<1>}	C[5](O[5]B[5,6,6])(C[5]C[5]C)(OC){1|C<3>,2|C<4>}	107.0710	0.000	1	107.0710	0.000	1	107.0710	0.000	1	107.0710	0.000	1	107.0710	0.000	1	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,6]	C[5]	4:3:	3:3:2:2:	4:2:1:	B[5,6]-4:C[5]-3:	N[5,6]-3:C[6a]-3:O[6]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](B[5,6]N[5,6]C[6a]O[6])(C[5]C[5]O)	B[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5])	C[5](C[5]N[5,6]HH)(O[5]B[5,6])(O)	O[5](B[5,6]N[5,6]C[6a]O[6])(C[5]C[5]O){2|H<1>,4|C<3>}	B[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O[5]C[5]){1|O<1>,4|H<1>,5|C<3>}	C[5](C[5]N[5,6]HH)(O[5]B[5,6])(O){1|O<2>,2|C<3>}	113.2770	0.242	2	113.2770	0.058	2	113.2770	0.058	2	113.2770	0.058	2	113.7000	0.566	3	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5,6]	C[5]	4:3:	4:4:4:2:	4:2:1:	B[5,6]-4:C[5]-3:	C[6]-4:C[6]-4:N[5]-4:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](B[5,6]C[6]2N[5])(C[5]C[5]O)	B[5,6](C[6]C[6]CH)2(N[5]C[5]HH)(O[5]C[5])	C[5](C[5]N[5]CH)(O[5]B[5,6])(O)	O[5](B[5,6]C[6]2N[5])(C[5]C[5]O){5|C<4>,5|H<1>}	B[5,6](C[6]C[6]CH)2(N[5]C[5]HH)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5](C[5]N[5]CH)(O[5]B[5,6])(O){2|C<4>,2|H<1>}	114.5460	0.000	1	114.5460	0.000	1	114.5460	0.000	1	114.5460	0.000	1	113.7000	0.566	3	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	2:2:1:1:	4:3:2:	C[5]-3:B[5]-4:	O[5]-2:O[5]-2:F-1:F-1:	C[5]-4:N[5]-3:O[5]-2:	O[5](C[5]C[5]N[5])(B[5]O[5]FF)	B[5](O[5]C[5])2(F)2	C[5](C[5]O[5]CC)(N[5]C[5]2)(O[5]B[5])	O[5](C[5]C[5]N[5])(B[5]O[5]FF){1|C<3>,3|C<4>}	B[5](O[5]C[5])2(F)2{1|C<3>,1|C<4>,1|N<3>}	C[5](C[5]O[5]CC)(N[5]C[5]2)(O[5]B[5]){2|C<4>,2|F<1>,4|H<1>}	109.1920	0.989	4	109.1920	0.979	4	109.1920	0.979	4	109.7669	0.717	9	111.3137	8.434	40	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	2:2:1:1:	4:3:2:	C[5]-3:B[5]-4:	O[5]-2:O[5]-2:F-1:F-1:	C[5]-4:N[6]-3:O[5]-2:	O[5](C[5]C[5]N[6])(B[5]O[5]FF)	B[5](O[5]C[5])2(F)2	C[5](C[5]O[5]CC)(N[6]C[6]2)(O[5]B[5])	O[5](C[5]C[5]N[6])(B[5]O[5]FF){1|C<3>,3|C<4>}	B[5](O[5]C[5])2(F)2{1|C<3>,1|C<4>,1|N<3>}	C[5](C[5]O[5]CC)(N[6]C[6]2)(O[5]B[5]){2|C<4>,2|F<1>,4|H<1>}	110.2268	0.324	5	110.2268	0.105	5	110.2268	0.105	5	109.7669	0.717	9	111.3137	8.434	40	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:1:1:	3:3:2:	C[5]-3:B[5]-4:	N[5,6]-3:O[5]-2:F-1:F-1:	N[5,6]-3:C[5a]-3:O[5]-2:	O[5](C[5]N[5,6]C[5a])(B[5]N[5,6]FF)	B[5](N[5,6]N[5,6]C[6])(O[5]C[5])(F)2	C[5](N[5,6]N[5,6]B[6])(C[5a]C[5a]N[5a])(O[5]B[5])	O[5](C[5]N[5,6]C[5a])(B[5]N[5,6]FF){1|B<4>,1|N<3>,2|C<3>}	B[5](N[5,6]N[5,6]C[6])(O[5]C[5])(F)2{1|B<4>,1|H<1>,2|C<3>}	C[5](N[5,6]N[5,6]B[6])(C[5a]C[5a]N[5a])(O[5]B[5]){1|N<3>,2|H<1>,3|C<3>,4|F<1>}	111.0535	0.476	2	111.0535	0.226	2	110.8813	0.202	3	110.8813	0.202	3	111.3137	8.434	40	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	3:4:	3:2:1:1:	3:3:2:	C[5]-3:B[5]-4:	N[5,6]-3:O[5]-2:F-1:F-1:	N[5,6]-3:C[5a]-3:O[5]-2:	O[5](C[5]N[5,6]C[5a])(B[5]N[5,6]FF)	B[5](N[5,6]N[5,6]C[6])(O[5]C[5])(F)2	C[5](N[5,6]N[5,6]B[6])(C[5a]C[5a]O[5a])(O[5]B[5])	O[5](C[5]N[5,6]C[5a])(B[5]N[5,6]FF){1|B<4>,1|O<2>,2|C<3>}	B[5](N[5,6]N[5,6]C[6])(O[5]C[5])(F)2{1|B<4>,1|H<1>,2|C<3>}	C[5](N[5,6]N[5,6]B[6])(C[5a]C[5a]O[5a])(O[5]B[5]){1|H<1>,1|N<3>,3|C<3>,4|F<1>}	110.5370	0.000	1	110.5370	0.000	1	110.8813	0.202	3	110.8813	0.202	3	111.3137	8.434	40	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:1:1:	4:2:3:	B[5]-4:C[5]-3:	O[5]-2:O[5]-2:F-1:F-1:	C[5]-4:O[5]-2:N-3:	O[5](B[5]O[5]FF)(C[5]C[5]N)	B[5](O[5]C[5])2(F)2	C[5](C[5]O[5]CC)(O[5]B[5])(NCC)	O[5](B[5]O[5]FF)(C[5]C[5]N){1|C<3>,1|C<4>}	B[5](O[5]C[5])2(F)2{1|C<3>,1|C<4>,1|N<3>}	C[5](C[5]O[5]CC)(O[5]B[5])(NCC){2|F<1>}	109.8450	0.338	2	109.8450	0.114	2	109.0457	0.902	4	109.0457	0.902	4	111.3137	8.434	40	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:1:1:	4:2:3:	B[5]-4:C[5]-3:	O[5]-2:O[5]-2:F-1:F-1:	C[5]-4:O[5]-2:N-3:	O[5](B[5]O[5]FF)(C[5]C[5]N)	B[5](O[5]C[5])2(F)2	C[5](C[5]O[5]CC)(O[5]B[5])(NCO)	O[5](B[5]O[5]FF)(C[5]C[5]N){1|C<3>,1|C<4>}	B[5](O[5]C[5])2(F)2{1|C<3>,1|C<4>,1|N<3>}	C[5](C[5]O[5]CC)(O[5]B[5])(NCO){2|F<1>}	108.2465	0.192	2	108.2465	0.037	2	109.0457	0.902	4	109.0457	0.902	4	111.3137	8.434	40	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:2:2:	3:2:1:	B[5]-4:C[5]-3:	O[5]-2:O[5]-2:O-2:O-2:	C[5]-3:O[5]-2:O-1:	O[5](B[5]O[5]OO)(C[5]C[5]O)	B[5](O[5]C[5])2(OP)2	C[5](C[5]O[5]O)(O[5]B[5])(O)	O[5](B[5]O[5]OO)(C[5]C[5]O){1|O<1>}	B[5](O[5]C[5])2(OP)2{2|O<1>}	C[5](C[5]O[5]O)(O[5]B[5])(O){2|O<2>}	109.6795	0.250	2	109.6795	0.062	2	109.6795	0.062	2	109.6795	0.062	2	111.3137	8.434	40	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:4:2:	3:2:1:	B[5]-4:C[5]-3:	O[5]-2:O[5]-2:C-4:O-2:	C[5]-3:O[5]-2:O-1:	O[5](B[5]O[5]CO)(C[5]C[5]O)	B[5](O[5]C[5])2(CH3)(OH)	C[5](C[5]O[5]C)(O[5]B[5])(O)	O[5](B[5]O[5]CO)(C[5]C[5]O){1|C<3>}	B[5](O[5]C[5])2(CH3)(OH){1|C<3>,1|O<1>}	C[5](C[5]O[5]C)(O[5]B[5])(O){1|C<4>,1|O<2>}	110.0990	0.000	1	110.0990	0.000	1	110.0990	0.000	1	110.0990	0.000	1	111.3137	8.434	40	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	2:2:4:2:	3:2:3:	B[5]-4:C[5]-3:	O[5]-2:O[5]-2:C-4:O-2:	C[5]-3:O[5]-2:C-3:	O[5](B[5]O[5]CO)(C[5]C[5]C)	B[5](O[5]C[5])2(CH3)(OH)	C[5](C[5]O[5]O)(O[5]B[5])(CC[6a]H)	O[5](B[5]O[5]CO)(C[5]C[5]C){1|O<1>}	B[5](O[5]C[5])2(CH3)(OH){1|C<3>,1|O<1>}	C[5](C[5]O[5]O)(O[5]B[5])(CC[6a]H){1|C<4>,1|O<2>}	109.4920	0.000	1	109.4920	0.000	1	109.4920	0.000	1	109.4920	0.000	1	111.3137	8.434	40	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	3:2:1:1:	3:2:1:	B[5]-4:C[5]-3:	C[5,5a]-3:O[5]-2:F-1:F-1:	N[5,5a]-3:O[5]-2:O-1:	O[5](B[5]C[5,5a]FF)(C[5]N[5,5a]O)	B[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(F)2	C[5](N[5,5a]C[5a,6a]C[5,5a])(O[5]B[5])(O)	O[5](B[5]C[5,5a]FF)(C[5]N[5,5a]O){2|C<3>}	B[5](C[5,5a]N[5,5a]C[5a])(O[5]C[5])(F)2{1|C<4>,1|O<1>,2|C<3>}	C[5](N[5,5a]C[5a,6a]C[5,5a])(O[5]B[5])(O){2|F<1>,3|C<3>}	111.5560	0.177	2	111.5560	0.031	2	111.5560	0.031	2	111.5560	0.031	2	111.3137	8.434	40	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	3:2:1:1:	3:2:4:	B[5]-4:C[5]-3:	N[5,6]-3:O[5]-2:F-1:F-1:	N[5,6]-3:O[5]-2:C-4:	O[5](B[5]N[5,6]FF)(C[5]N[5,6]C)	B[5](N[5,6]N[5,6]C[6])(O[5]C[5])(F)2	C[5](N[5,6]N[5,6]B[6])(O[5]B[5])(CH3)	O[5](B[5]N[5,6]FF)(C[5]N[5,6]C){1|B<4>,1|C<3>}	B[5](N[5,6]N[5,6]C[6])(O[5]C[5])(F)2{1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[5](N[5,6]N[5,6]B[6])(O[5]B[5])(CH3){1|C<3>,1|N<3>,4|F<1>}	110.5900	0.000	1	110.5900	0.000	1	110.5900	0.000	1	110.5900	0.000	1	111.3137	8.434	40	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	3:3:2:2:	3:4:2:	B[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:O[5]-2:O[5]-2:	N[5]-3:C-4:O[5]-2:	O[5](B[5]C[6a]2O[5])(C[5]N[5]C)	B[5](C[6a]C[6a]2)2(O[5]C[5])(O[5]N[5])	C[5](N[5]C[6]O[5])(CC[6a]2O)(O[5]B[5])	O[5](B[5]C[6a]2O[5])(C[5]N[5]C){1|C<4>,4|C<3>}	B[5](C[6a]C[6a]2)2(O[5]C[5])(O[5]N[5]){2|C<4>,4|C<3>,4|H<1>}	C[5](N[5]C[6]O[5])(CC[6a]2O)(O[5]B[5]){1|H<1>,2|C<3>,2|C<4>}	106.7120	0.000	1	106.7120	0.000	1	106.7120	0.000	1	106.7120	0.000	1	111.3137	8.434	40	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	3:3:2:2:	4:2:1:	B[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:O[5]-2:O[5]-2:	P[5]-4:O[5]-2:O-1:	O[5](B[5]C[6a]2O[5])(C[5]P[5]O)	B[5](C[6a]C[6a]2)2(O[5]C[5])(O[5]P[5])	C[5](P[5]C[6a]2O[5])(O[5]B[5])(O)	O[5](B[5]C[6a]2O[5])(C[5]P[5]O){6|C<3>}	B[5](C[6a]C[6a]2)2(O[5]C[5])(O[5]P[5]){1|O<1>,4|F<1>,6|C<3>}	C[5](P[5]C[6a]2O[5])(O[5]B[5])(O){6|C<3>}	118.0670	0.000	1	118.0670	0.000	1	118.0670	0.000	1	118.0670	0.000	1	111.3137	8.434	40	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	3:3:3:2:	3:2:1:	B[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:O[5]-2:H-1:	O[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H)	O[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H){6|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){2|H<1>,4|C<4>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(H){1|H<1>,4|C<3>}	110.1690	0.127	3	110.1690	0.016	3	110.1690	0.016	3	110.1690	0.016	3	111.3137	8.434	40	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	3:3:3:2:	3:2:2:	B[5]-4:C[5]-3:	N[5,5]-3:C[6a]-3:C[6a]-3:O[5]-2:	N[5,5]-3:O[5]-2:N-2:	O[5](B[5]N[5,5]C[6a]2)(C[5]N[5,5]N)	B[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)2(O[5]C[5])	C[5](N[5,5]N[5,5]C[5])(O[5]B[5])(NC)	O[5](B[5]N[5,5]C[6a]2)(C[5]N[5,5]N){6|C<3>}	B[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,1|N<2>,4|F<1>,6|C<3>}	C[5](N[5,5]N[5,5]C[5])(O[5]B[5])(NC){1|C<4>,4|C<3>}	115.0920	0.000	1	115.0920	0.000	1	115.0920	0.000	1	115.0920	0.000	1	111.3137	8.434	40	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	3:3:3:2:	3:2:4:	B[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:O[5]-2:C-4:	O[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CH3)	O[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C){6|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]C[5]){1|H<1>,5|C<4>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CH3){1|H<1>,4|C<3>}	111.7500	0.000	1	111.7500	0.000	1	111.7500	0.000	1	111.7500	0.000	1	111.3137	8.434	40	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	3:3:4:2:	2:2:2:	B[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	O[5]-2:O[5]-2:O-2:	O[5](B[5]C[6a]2C[5])(C[5]O[5]O)	B[5](C[6a]C[6a]2)2(C[5]O[5]HH)(O[5]C[5])	C[5](O[5]B[5])(O[5]C[5])(OZr)	O[5](B[5]C[6a]2C[5])(C[5]O[5]O){2|H<1>,4|C<3>}	B[5](C[6a]C[6a]2)2(C[5]O[5]HH)(O[5]C[5]){1|O<2>,4|C<3>,4|F<1>}	C[5](O[5]B[5])(O[5]C[5])(OZr){2|C<3>,2|H<1>}	109.5360	0.000	1	109.5360	0.000	1	109.5360	0.000	1	109.5360	0.000	1	111.3137	8.434	40	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	3:3:4:2:	4:2:1:	B[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	P[5]-4:O[5]-2:O-1:	O[5](B[5]C[6a]2C[5])(C[5]P[5]O)	B[5](C[6a]C[6a]2)2(C[5]P[5]HH)(O[5]C[5])	C[5](P[5]C[5]CC)(O[5]B[5])(O)	O[5](B[5]C[6a]2C[5])(C[5]P[5]O){2|C<4>,2|H<1>,4|C<3>}	B[5](C[6a]C[6a]2)2(C[5]P[5]HH)(O[5]C[5]){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5](P[5]C[5]CC)(O[5]B[5])(O){2|C<3>,2|H<1>}	120.4000	0.000	1	120.4000	0.000	1	120.4000	0.000	1	120.4000	0.000	1	111.3137	8.434	40	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	3:3:4:2:	4:2:2:	B[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	B-4:O[5]-2:O[5]-2:	O[5](B[5]C[6a]2C[5])(C[5]O[5]B)	B[5](C[6a]C[6a]2)2(C[5]O[5]CH)(O[5]C[5])	C[5](BC[6a]2H)(O[5]B[5])(O[5]C[5])	O[5](B[5]C[6a]2C[5])(C[5]O[5]B){1|C<4>,1|H<1>,4|C<3>}	B[5](C[6a]C[6a]2)2(C[5]O[5]CH)(O[5]C[5]){1|B<4>,4|C<3>,4|F<1>}	C[5](BC[6a]2H)(O[5]B[5])(O[5]C[5]){1|C<4>,1|H<1>,2|C<3>}	113.4130	0.000	1	113.4130	0.000	1	113.4130	0.000	1	116.5235	19.350	2	111.3137	8.434	40	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	3:3:4:2:	4:2:2:	B[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	P[5]-4:O[5]-2:N-2:	O[5](B[5]C[6a]2C[5])(C[5]P[5]N)	B[5](C[6a]C[6a]2)2(C[5]P[5]HH)(O[5]C[5])	C[5](P[5]C[5]CC)(O[5]B[5])(NC)	O[5](B[5]C[6a]2C[5])(C[5]P[5]N){2|C<4>,2|H<1>,4|C<3>}	B[5](C[6a]C[6a]2)2(C[5]P[5]HH)(O[5]C[5]){1|N<2>,2|C<4>,4|C<3>,4|H<1>}	C[5](P[5]C[5]CC)(O[5]B[5])(NC){2|C<3>,2|H<1>}	119.6340	0.000	1	119.6340	0.000	1	119.6340	0.000	1	116.5235	19.350	2	111.3137	8.434	40	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	4:3:2:1:	4:2:1:	B[5]-4:C[5]-3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:O-1:	O[5](B[5]C[5]2H)(C[5]C[5]O)	B[5](C[5]C[5]CH)(C[5]N[5]2)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]B[5])(O)	O[5](B[5]C[5]2H)(C[5]C[5]O){1|C<3>,2|N<3>,3|H<1>}	B[5](C[5]C[5]CH)(C[5]N[5]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]B[5])(O){2|C<3>,2|H<1>}	112.2110	0.608	3	113.0095	0.945	6	113.0095	0.945	6	113.0095	0.945	6	111.3137	8.434	40	112.4011	4.525	200
976	786	818	5:SP2_SP2_SP3	O[5]	B[5]	C[5]	4:3:	4:3:2:1:	4:2:1:	B[5]-4:C[5]-3:	C[5]-4:C[5]-3:O[5]-2:H-1:	C[5]-4:O[5]-2:O-1:	O[5](B[5]C[5]2H)(C[5]C[5]O)	B[5](C[5]C[5]CH)(C[5]N[5]2)(O[5]C[5])(H)	C[5](C[5]C[5]HH)(O[5]B[5])(O)	O[5](B[5]C[5]2H)(C[5]C[5]O){1|C<3>,2|N<3>,3|H<1>}	B[5](C[5]C[5]CH)(C[5]N[5]2)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5]HH)(O[5]B[5])(O){2|C<3>,2|H<1>}	113.8080	0.283	3	113.0095	0.945	6	113.0095	0.945	6	113.0095	0.945	6	111.3137	8.434	40	112.4011	4.525	200
976	786	955	5:SP3_SP3_SP3	O[5]	B[5]	P[5]	4:4:	3:2:1:1:	3:2:4:4:	B[5]-4:P[5]-4:	C[5,6a]-3:O[5]-2:H-1:H-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	O[5](B[5]C[5,6a]HH)(P[5]C[5,6a]CC)	B[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(H)2	P[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CC3)2	O[5](B[5]C[5,6a]HH)(P[5]C[5,6a]CC){2|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(O[5]P[5])(H)2{1|H<1>,2|C<3>,2|C<4>}	P[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CC3)2{2|C<3>,3|H<1>}	114.1430	0.000	1	114.1430	0.000	1	114.1430	0.000	1	114.1430	0.000	1	113.7582	4.586	10	113.7582	4.586	10
976	786	955	5:SP3_SP3_SP3	O[5]	B[5]	P[5]	4:4:	3:3:2:1:	3:2:4:4:	B[5]-4:P[5]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:H-1:	C[5,6a]-3:O[5]-2:C-4:C-4:	O[5](B[5]C[5,6a]C[6a]H)(P[5]C[5,6a]CC)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H)	P[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CC3)2	O[5](B[5]C[5,6a]C[6a]H)(P[5]C[5,6a]CC){4|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(H){1|H<1>,2|C<4>,2|F<1>,4|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CC3)2{2|H<1>,3|C<3>}	114.2700	0.238	2	114.2700	0.056	2	114.2700	0.056	2	114.2700	0.056	2	113.7582	4.586	10	113.7582	4.586	10
976	786	955	5:SP3_SP3_SP3	O[5]	B[5]	P[5]	4:4:	3:3:2:1:	3:3:3:2:	B[5]-4:P[5]-4:	C[5,6a]-3:C[6a]-3:O[5]-2:F-1:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	O[5](B[5]C[5,6a]C[6a]F)(P[5]C[5,6a]C[6a]2)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(F)	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]B[5])	O[5](B[5]C[5,6a]C[6a]F)(P[5]C[5,6a]C[6a]2){8|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]P[5])(F){3|F<1>,6|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]B[5]){2|F<1>,4|C<4>,7|C<3>}	117.3730	0.000	1	117.3730	0.000	1	117.3730	0.000	1	117.3730	0.000	1	113.7582	4.586	10	113.7582	4.586	10
976	786	955	5:SP3_SP3_SP3	O[5]	B[5]	P[5]	4:4:	3:3:2:2:	3:3:3:2:	B[5]-4:P[5]-4:	C[6a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	O[5](B[5]C[6a]2O[5])(P[5]C[6a]2C[5])	B[5](C[6a]C[6a]2)2(O[5]C[5])(O[5]P[5])	P[5](C[6a]C[6a]2)2(C[5]O[5]O)(O[5]B[5])	O[5](B[5]C[6a]2O[5])(P[5]C[6a]2C[5]){1|O<1>,8|C<3>}	B[5](C[6a]C[6a]2)2(O[5]C[5])(O[5]P[5]){1|O<1>,4|F<1>,6|C<3>}	P[5](C[6a]C[6a]2)2(C[5]O[5]O)(O[5]B[5]){4|C<4>,6|C<3>}	115.3760	0.000	1	115.3760	0.000	1	115.3760	0.000	1	115.3760	0.000	1	113.7582	4.586	10	113.7582	4.586	10
976	786	955	5:SP3_SP3_SP3	O[5]	B[5]	P[5]	4:4:	3:3:3:2:	3:2:4:4:	B[5]-4:P[5]-4:	C[5,6a]-3:C[6a]-3:C[6a]-3:O[5]-2:	C[5,6a]-3:O[5]-2:C-4:C-4:	O[5](B[5]C[5,6a]C[6a]2)(P[5]C[5,6a]CC)	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]P[5])	P[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CC3)2	O[5](B[5]C[5,6a]C[6a]2)(P[5]C[5,6a]CC){6|C<3>}	B[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O[5]P[5]){1|H<1>,2|C<4>,4|F<1>,6|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(CC3)2{1|H<1>,4|C<3>}	115.8910	0.000	1	115.8910	0.000	1	115.8910	0.000	1	115.8910	0.000	1	113.7582	4.586	10	113.7582	4.586	10
976	786	955	5:SP3_SP3_SP3	O[5]	B[5]	P[5]	4:4:	3:3:3:2:	3:3:3:2:	B[5]-4:P[5]-4:	C[6a]-3:C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:C[6a]-3:C[6a]-3:O[5]-2:	O[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])	B[5](C[6a]C[6a]2)2(C[5]C[5]H)(O[5]P[5])	P[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(O[5]B[5])	O[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5]){1|H<1>,9|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]H)(O[5]P[5]){4|F<1>,7|C<3>}	P[5](C[5]C[6a]C[5])(C[6a]C[6a]2)2(O[5]B[5]){1|H<1>,4|C<4>,8|C<3>}	111.1900	0.682	2	111.1900	0.465	2	111.1900	0.465	2	111.1900	0.465	2	113.7582	4.586	10	113.7582	4.586	10
976	786	955	5:SP3_SP3_SP3	O[5]	B[5]	P[5]	4:4:	3:3:4:2:	3:3:4:2:	B[5]-4:P[5]-4:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	O[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]P[5])	P[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]B[5])	O[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5]){3|H<1>,9|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]P[5]){1|H<1>,4|F<1>,7|C<3>}	P[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]B[5]){2|H<1>,4|C<4>,6|C<3>}	112.0840	0.000	1	112.0840	0.000	1	112.0840	0.000	1	112.0840	0.000	1	113.7582	4.586	10	113.7582	4.586	10
976	786	955	5:SP3_SP3_SP3	O[5]	B[5]	P[5]	4:4:	3:3:4:2:	4:3:3:2:	B[5]-4:P[5]-4:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:O[5]-2:	O[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]P[5])	P[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]B[5])	O[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5]){3|H<1>,9|C<3>}	B[5](C[6a]C[6a]2)2(C[5]C[5]HH)(O[5]P[5]){1|H<1>,4|F<1>,7|C<3>}	P[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)2(O[5]B[5]){2|H<1>,4|C<4>,8|C<3>}	111.7950	0.000	1	111.7950	0.000	1	111.7950	0.000	1	111.7950	0.000	1	113.7582	4.586	10	113.7582	4.586	10
976	786	960	5:SP2_SP2_SP3	O[5]	B[5]	N[5]	4:2:	3:3:2:2:	3:2:	B[5]-4:N[5]-2:	C[6a]-3:C[6a]-3:O[5]-2:O[5]-2:	N[5]-3:O[5]-2:	O[5](B[5]C[6a]2O[5])(N[5]N[5])	B[5](C[6a]C[6a]2)2(O[5]N[5])2	N[5](N[5]O[5]C)(O[5]B[5])	O[5](B[5]C[6a]2O[5])(N[5]N[5]){1|C<4>,4|C<3>}	B[5](C[6a]C[6a]2)2(O[5]N[5])2{1|C<4>,4|C<3>,4|F<1>}	N[5](N[5]O[5]C)(O[5]B[5]){2|C<3>}	109.8515	0.665	2	109.8515	0.443	2	109.8515	0.443	2	109.8515	0.443	2	109.8515	0.443	2	109.8515	0.443	2
976	786	999	5:SP3_SP3_SP3	O[5]	B[5]	N[5]	4:4:	3:3:2:2:	4:2:4:4:	B[5]-4:N[5]-4:	C[6a]-3:C[6a]-3:O[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-4:C-4:	O[5](B[5]C[6a]2O[5])(N[5]C[5]CC)	B[5](C[6a]C[6a]2)2(O[5]C[5])(O[5]N[5])	N[5](C[5]O[5]HH)(O[5]B[5])(CCCH)(CCHH)	O[5](B[5]C[6a]2O[5])(N[5]C[5]CC){2|H<1>,4|C<3>}	B[5](C[6a]C[6a]2)2(O[5]C[5])(O[5]N[5]){2|C<4>,4|C<3>,6|H<1>}	N[5](C[5]O[5]HH)(O[5]B[5])(CCCH)(CCHH){2|C<3>}	107.7990	0.000	1	107.7990	0.000	1	107.7990	0.000	1	107.7990	0.000	1	107.7990	0.000	1	107.7990	0.000	1
976	818	818	5:SP2_SP2_SP2	O[5]	C[5,5]	C[5]	3:3:	3:3:2:	3:2:1:	C[5,5]-3:C[5]-3:	C[5]-3:C[5,5]-3:O[5]-2:	C[5]-3:O[5]-2:O-1:	O[5](C[5,5]C[5,5]C[5])(C[5]C[5]O)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(O[5]C[5])	C[5](C[5]C[5,5]C[6a])(O[5]C[5,5])(O)	O[5](C[5,5]C[5,5]C[5])(C[5]C[5]O){1|C<4>,3|C<3>}	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2)(O[5]C[5]){2|H<1>,2|O<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a])(O[5]C[5,5])(O){4|C<3>}	105.9760	0.112	2	105.9760	0.012	2	105.9760	0.012	2	105.9760	0.012	2	106.0550	0.025	3	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5,5]	C[5]	3:3:	4:3:2:	3:2:2:	C[5,5]-3:C[5]-3:	C[5,5]-4:C[5]-3:O[5]-2:	N[5]-3:O[5]-2:N-2:	O[5](C[5,5]C[5,5]C[5])(C[5]N[5]N)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5,6]C[6a])(O[5]C[5])	C[5](N[5]C[5,5]C)(O[5]C[5,5])(NC[6a])	O[5](C[5,5]C[5,5]C[5])(C[5]N[5]N){1|H<1>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5,6]C[6a])(O[5]C[5]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5](N[5]C[5,5]C)(O[5]C[5,5])(NC[6a]){1|H<1>,2|C<3>}	106.2130	0.000	1	106.2130	0.000	1	106.2130	0.000	1	106.2130	0.000	1	106.0550	0.025	3	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5,6]	C[5]	3:3:	3:3:2:	3:2:1:	C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:O[5]-2:	C[5]-3:O[5]-2:O-1:	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]H)(O[5]C[5])	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]O){1|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]H)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O){1|C<3>,1|C<4>}	106.3260	0.000	1	106.7140	0.301	2	106.9972	0.202	9	106.9972	0.202	9	107.1723	2.407	21	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5,6]	C[5]	3:3:	3:3:2:	3:2:1:	C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:O[5]-2:	C[5]-3:O[5]-2:O-1:	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]H)(O[5]C[5])	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]O){1|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6]H)(O[5]C[5]){1|O<1>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O){1|C<3>,1|C<4>}	107.1020	0.000	1	106.7140	0.301	2	106.9972	0.202	9	106.9972	0.202	9	107.1723	2.407	21	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5,6]	C[5]	3:3:	3:3:2:	3:2:1:	C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:O[5]-2:	C[5]-3:O[5]-2:O-1:	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5])	C[5](C[5]C[5,6]C[6a])(O[5]C[5,6])(O)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]O){1|C<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5](C[5]C[5,6]C[6a])(O[5]C[5,6])(O){1|C<4>,3|C<3>}	107.3870	0.000	1	107.3870	0.000	1	106.9972	0.202	9	106.9972	0.202	9	107.1723	2.407	21	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5,6]	C[5]	3:3:	3:3:2:	3:2:1:	C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:O[5]-2:	C[5]-3:O[5]-2:O-1:	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5])	C[5](C[5]C[5,6]O)(O[5]C[5,6])(O)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]O){1|O<2>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]C)(O[5]C[5]){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]O)(O[5]C[5,6])(O){1|C<3>,1|C<4>}	106.7755	0.258	2	106.7755	0.067	2	106.9972	0.202	9	106.9972	0.202	9	107.1723	2.407	21	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5,6]	C[5]	3:3:	3:3:2:	3:2:1:	C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:O[5]-2:	C[5]-3:O[5]-2:O-1:	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(O[5]C[5])	C[5](C[5]C[5,6]H)(O[5]C[5,6])(O)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]H)(O[5]C[5]){1|C<4>,2|O<1>,3|H<1>}	C[5](C[5]C[5,6]H)(O[5]C[5,6])(O){1|C<3>,1|C<4>}	106.8400	0.000	1	106.8400	0.000	1	106.9972	0.202	9	106.9972	0.202	9	107.1723	2.407	21	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5,6]	C[5]	3:3:	3:3:2:	3:2:1:	C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:O[5]-2:	C[5]-3:O[5]-2:O-1:	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(O[5]C[5])	C[5](C[5]C[5,6]H)(O[5]C[5,6])(O)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]O){1|C<3>,1|H<1>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6a]C[6])(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5]C[5,6]H)(O[5]C[5,6])(O){1|C<3>,1|C<4>}	106.8820	0.000	1	106.8820	0.000	1	106.9972	0.202	9	106.9972	0.202	9	107.1723	2.407	21	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5,6]	C[5]	3:3:	3:3:2:	3:2:1:	C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:O[5]-2:	C[5]-3:O[5]-2:O-1:	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5]N[6])(C[6]C[6a]C[6])(O[5]C[5])	C[5](C[5]C[5,6]H)(O[5]C[5,6])(O)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6](C[5,6]C[5]N[6])(C[6]C[6a]C[6])(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6]H)(O[5]C[5,6])(O){1|C<3>,1|N<3>}	107.8930	0.000	1	107.8930	0.000	1	106.9972	0.202	9	106.9972	0.202	9	107.1723	2.407	21	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5,6]	C[5]	3:3:	3:3:2:	3:2:1:	C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-3:O[5]-2:	C[5]-3:O[5]-2:O-1:	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]H)(O[5]C[5])	C[5](C[5]C[5,6]H)(O[5]C[5,6])(O)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]H)(O[5]C[5]){1|H<1>,1|O<1>,4|C<4>}	C[5](C[5]C[5,6]H)(O[5]C[5,6])(O){1|C<3>,1|C<4>}	106.9940	0.000	1	106.9940	0.000	1	106.9972	0.202	9	106.9972	0.202	9	107.1723	2.407	21	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5,6]	C[5]	3:3:	3:3:2:	3:2:2:	C[5,6]-3:C[5]-3:	C[6,6a]-3:N[5,6]-3:O[5]-2:	C[6a]-3:N[5]-2:O[5]-2:	O[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]N[5])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]N[5])(O[5]C[5])	C[5](C[6a]C[6a]2)(N[5]N[5,6])(O[5]C[5,6])	O[5](C[5,6]C[6,6a]N[5,6])(C[5]C[6a]N[5]){1|B<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]N[5])(O[5]C[5]){1|H<1>,1|O<2>,5|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5,6])(O[5]C[5,6]){1|B<4>,2|H<1>,3|C<3>}	104.6720	0.000	1	104.6720	0.000	1	104.6720	0.000	1	104.6720	0.000	1	107.1723	2.407	21	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5,6]	C[5]	3:3:	3:3:2:	4:2:1:	C[5,6]-3:C[5]-3:	C[5,6,6]-3:C[6]-3:O[5]-2:	C[5,6]-4:O[5]-2:O-1:	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6,6a]O)(O[5]C[5])	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O)	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,6]O){1|C<3>,1|O<1>,3|C<4>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6,6a]O)(O[5]C[5]){1|O<1>,2|C<3>,4|C<4>}	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O){1|C<3>,2|C<4>,2|H<1>}	106.5690	0.000	1	106.5690	0.000	1	106.5690	0.000	1	106.5690	0.000	1	107.1723	2.407	21	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5,6]	C[5]	3:3:	3:4:2:	2:2:2:	C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-4:O[5]-2:	O[5]-2:S[5]-2:N-2:	O[5](C[5,6]C[5,6]C[6])(C[5]S[5]N)	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]HH)(O[5]C[5])	C[5](O[5]C[5,6])(S[5]C[5,6])(NC[6a])	O[5](C[5,6]C[5,6]C[6])(C[5]S[5]N){1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]S[5])(C[6]C[6]HH)(O[5]C[5]){1|H<1>,1|N<2>,1|O<1>,2|C<4>}	C[5](O[5]C[5,6])(S[5]C[5,6])(NC[6a]){1|C<3>,1|C<4>}	112.2640	0.000	1	112.2640	0.000	1	112.2640	0.000	1	112.2640	0.000	1	107.1723	2.407	21	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5,6]	C[5]	3:3:	3:4:2:	3:2:1:	C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5]-3:O[5]-2:O-1:	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[5](C[5]C[5,6]C)(O[5]C[5,6])(O){1|C<3>,1|C<4>}	107.9470	0.008	2	107.9470	0.000	2	107.9470	0.000	2	107.9470	0.000	2	107.1723	2.407	21	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5,6]	C[5]	3:3:	3:4:2:	3:2:2:	C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-4:O[5]-2:	N[5]-3:O[5]-2:N-2:	O[5](C[5,6]C[5,6]C[6])(C[5]N[5]N)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(O[5]C[5])	C[5](N[5]C[5,6]C[6])(O[5]C[5,6])(NC[6])	O[5](C[5,6]C[5,6]C[6])(C[5]N[5]N){1|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]HH)(O[5]C[5]){1|N<2>,1|O<1>,4|C<4>}	C[5](N[5]C[5,6]C[6])(O[5]C[5,6])(NC[6]){1|C<3>,1|H<1>,3|C<4>}	107.4540	0.000	1	107.4540	0.000	1	107.4540	0.000	1	107.4540	0.000	1	107.1723	2.407	21	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5,6]	C[5]	3:3:	3:4:2:	4:2:1:	C[5,6]-3:C[5]-3:	C[5,6,6]-3:C[6]-4:O[5]-2:	C[5,5,6]-4:O[5]-2:O-1:	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]O)	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[6]C[6]CC)(O[5]C[5])	C[5](C[5,5,6]C[5,6,6]C[5,6]C[5])(O[5]C[5,6])(O)	O[5](C[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]O){2|C<3>,4|C<4>}	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[6]C[6]CC)(O[5]C[5]){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[5](C[5,5,6]C[5,6,6]C[5,6]C[5])(O[5]C[5,6])(O){1|O<1>,6|C<4>}	107.4700	0.000	1	107.4700	0.000	1	107.4700	0.000	1	107.4700	0.000	1	107.1723	2.407	21	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5,6]	C[5]	3:3:	3:4:2:	4:2:2:	C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5]-4:O[5]-2:N-2:	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]N)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[5](C[5]C[5,6]C[6a]C)(O[5]C[5,6])(NO)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]N){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6]C[6a]C)(O[5]C[5,6])(NO){1|C<4>,3|C<3>}	107.1230	0.000	1	107.1230	0.000	1	106.7430	0.289	2	106.7430	0.289	2	107.1723	2.407	21	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5,6]	C[5]	3:3:	3:4:2:	4:2:2:	C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5]-4:O[5]-2:N-2:	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]N)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(NO)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]N){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|N<2>,1|O<1>,3|H<1>}	C[5](C[5]C[5,6]C[6a]H)(O[5]C[5,6])(NO){1|C<4>,3|C<3>}	106.3630	0.000	1	106.3630	0.000	1	106.7430	0.289	2	106.7430	0.289	2	107.1723	2.407	21	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5,6]	C[5]	3:3:	3:4:2:	4:2:3:	C[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-4:O[5]-2:	C[5]-4:O[5]-2:C-3:	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CC[6a]H)	O[5](C[5,6]C[5,6]C[6])(C[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CC[6a]H){1|C<3>,1|C<4>}	107.0500	0.000	1	107.0500	0.000	1	107.0500	0.000	1	107.0500	0.000	1	107.1723	2.407	21	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5,6]	C[5]	3:3:	4:2:2:	2:2:4:	C[5,6]-3:C[5]-3:	C[5,6]-4:N[6]-2:O[5]-2:	N[5]-2:O[5]-2:C-4:	O[5](C[5,6]C[5,6]N[6])(C[5]N[5]C)	C[5,6](C[5,6]C[6a]C[6]N[5])(N[6]C[6])(O[5]C[5])	C[5](N[5]C[5,6])(O[5]C[5,6])(CCHN)	O[5](C[5,6]C[5,6]N[6])(C[5]N[5]C){1|C<4>,2|C<3>}	C[5,6](C[5,6]C[6a]C[6]N[5])(N[6]C[6])(O[5]C[5]){1|C<4>,1|H<1>,5|C<3>}	C[5](N[5]C[5,6])(O[5]C[5,6])(CCHN){1|C<3>,1|C<4>,1|N<2>}	104.1060	0.000	1	104.1060	0.000	1	104.1060	0.000	1	104.1060	0.000	1	107.1723	2.407	21	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5,6]	C[5]	3:3:	4:3:2:	4:2:1:	C[5,6]-3:C[5]-3:	C[5,5,6]-4:C[6]-3:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]O)	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]C)(O[5]C[5])	C[5](C[5]C[5,5,6]CH)(O[5]C[5,6])(O)	O[5](C[5,6]C[5,5,6]C[6])(C[5]C[5]O){1|H<1>,5|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]C)(O[5]C[5]){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[5](C[5]C[5,5,6]CH)(O[5]C[5,6])(O){1|C<3>,2|C<4>}	108.6780	0.000	1	108.6780	0.000	1	108.6780	0.000	1	108.6780	0.000	1	107.1723	2.407	21	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	2:2:1:	4:2:1:	C[5]-3:C[5]-3:	N[5]-2:O[5]-2:O-1:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5]O)(C[5]N[5]O)	C[5](N[5]C[5])(O[5]C[5])(O)	C[5](C[5]N[5]CH)(O[5]C[5])(O)	O[5](C[5]C[5]O)(C[5]N[5]O){1|C<4>,1|H<1>}	C[5](N[5]C[5])(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(O){1|O<1>}	109.5870	0.000	1	109.5870	0.000	1	109.5870	0.000	1	109.5870	0.000	1	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	2:2:1:	4:2:3:	C[5]-3:C[5]-3:	O[5]-2:O[5]-2:O-1:	C[5]-4:O[5]-2:C-3:	O[5](C[5]C[5]C)(C[5]O[5]O)	C[5](O[5]C[5])2(O)	C[5](C[5]O[5]CH)(O[5]C[5])(CHH)	O[5](C[5]C[5]C)(C[5]O[5]O){1|C<4>,1|H<1>}	C[5](O[5]C[5])2(O){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(O[5]C[5])(CHH){1|O<1>}	109.0660	0.196	3	109.0660	0.038	3	109.0660	0.038	3	109.0660	0.038	3	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	2:2:2:	3:2:4:	C[5]-3:C[5]-3:	O[5]-2:S[5]-2:N-2:	C[5]-3:O[5]-2:C-4:	O[5](C[5]C[5]C)(C[5]S[5]N)	C[5](O[5]C[5])(S[5]C[5])(NC)	C[5](C[5]S[5]C)(O[5]C[5])(CH3)	O[5](C[5]C[5]C)(C[5]S[5]N){1|C<3>}	C[5](O[5]C[5])(S[5]C[5])(NC){1|C<3>,1|C<4>}	C[5](C[5]S[5]C)(O[5]C[5])(CH3){1|N<2>}	113.3910	0.000	1	113.3910	0.000	1	113.3910	0.000	1	113.3910	0.000	1	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	2:2:3:	2:2:1:	C[5]-3:C[5]-3:	C[5]-2:O[5]-2:C-3:	C[5]-2:O[5]-2:H-1:	O[5](C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5])(O[5]C[5])(CCO)	C[5](C[5]C[5])(O[5]C[5])(H)	O[5](C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5])(O[5]C[5])(CCO){1|H<1>}	C[5](C[5]C[5])(O[5]C[5])(H){1|C<3>}	106.4050	0.000	1	106.4050	0.000	1	106.4050	0.000	1	106.4050	0.000	1	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	2:2:3:	3:2:1:	C[5]-3:C[5]-3:	C[5]-2:O[5]-2:C-3:	C[5]-3:O[5]-2:H-1:	O[5](C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5])(O[5]C[5])(CCH)	C[5](C[5]C[5]H)(O[5]C[5])(H)	O[5](C[5]C[5]C)(C[5]C[5]H){1|H<1>}	C[5](C[5]C[5])(O[5]C[5])(CCH){2|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(H){1|C<3>}	106.2470	0.000	1	106.2470	0.000	1	106.0215	0.102	2	106.3315	0.168	4	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	2:2:3:	3:2:1:	C[5]-3:C[5]-3:	C[5]-2:O[5]-2:C-3:	C[5]-3:O[5]-2:H-1:	O[5](C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5])(O[5]C[5])(CNO)	C[5](C[5]C[5]H)(O[5]C[5])(H)	O[5](C[5]C[5]C)(C[5]C[5]H){1|H<1>}	C[5](C[5]C[5])(O[5]C[5])(CNO){2|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(H){1|C<3>}	105.7960	0.000	1	105.7960	0.000	1	106.0215	0.102	2	106.3315	0.168	4	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	2:2:3:	3:2:1:	C[5]-3:C[5]-3:	N[5]-2:O[5]-2:C-3:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]O)(C[5]N[5]C)	C[5](N[5]C[5])(O[5]C[5])(CC[6a]H)	C[5](C[5]N[5]C)(O[5]C[5])(O)	O[5](C[5]C[5]O)(C[5]N[5]C){1|C<4>}	C[5](N[5]C[5])(O[5]C[5])(CC[6a]H){1|C<4>,1|O<1>}	C[5](C[5]N[5]C)(O[5]C[5])(O){1|C<3>}	106.7360	0.000	1	106.7360	0.000	1	106.6415	0.018	2	106.3315	0.168	4	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	2:2:3:	3:2:1:	C[5]-3:C[5]-3:	N[5]-2:O[5]-2:C-3:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]O)(C[5]N[5]C)	C[5](N[5]C[5])(O[5]C[5])(CC[6a]H)	C[5](C[5]N[5]H)(O[5]C[5])(O)	O[5](C[5]C[5]O)(C[5]N[5]C){1|H<1>}	C[5](N[5]C[5])(O[5]C[5])(CC[6a]H){1|H<1>,1|O<1>}	C[5](C[5]N[5]H)(O[5]C[5])(O){1|C<3>}	106.5470	0.000	1	106.5470	0.000	1	106.6415	0.018	2	106.3315	0.168	4	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	2:2:3:	3:2:2:	C[5]-3:C[5]-3:	O[5]-2:O[5]-2:C-3:	C[5]-3:O[5]-2:N-2:	O[5](C[5]C[5]N)(C[5]O[5]C)	C[5](O[5]C[5])2(CC[6a]2)	C[5](C[5]O[5]C)(O[5]C[5])(NC)	O[5](C[5]C[5]N)(C[5]O[5]C){1|C<3>}	C[5](O[5]C[5])2(CC[6a]2){1|C<3>,1|N<2>}	C[5](C[5]O[5]C)(O[5]C[5])(NC){1|C<3>}	107.4443	2.438	3	107.4443	5.946	3	107.4443	5.946	3	107.4443	5.946	3	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	2:2:4:	3:2:1:	C[5]-3:C[5]-3:	C[5]-2:O[5]-2:C-4:	C[5]-3:O[5]-2:H-1:	O[5](C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5])(O[5]C[5])(CHHN)	C[5](C[5]C[5]H)(O[5]C[5])(H)	O[5](C[5]C[5]C)(C[5]C[5]H){1|H<1>}	C[5](C[5]C[5])(O[5]C[5])(CHHN){2|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(H){1|C<4>}	106.5230	0.315	2	106.5230	0.099	2	106.5230	0.099	2	105.7991	0.249	29	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	2:2:4:	3:2:1:	C[5]-3:C[5]-3:	N[5]-2:O[5]-2:C-4:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]O)(C[5]N[5]C)	C[5](N[5]C[5])(O[5]C[5])(CH3)	C[5](C[5]N[5]C)(O[5]C[5])(O)	O[5](C[5]C[5]O)(C[5]N[5]C){1|C<3>}	C[5](N[5]C[5])(O[5]C[5])(CH3){1|C<3>,1|O<1>}	C[5](C[5]N[5]C)(O[5]C[5])(O){1|C<4>}	105.4761	0.188	15	105.4761	0.035	15	105.4761	0.035	15	105.7991	0.249	29	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	2:2:4:	3:2:1:	C[5]-3:C[5]-3:	N[5]-2:O[5]-2:C-4:	N[5]-3:O[5]-2:S-1:	O[5](C[5]N[5]C)(C[5]N[5]S)	C[5](N[5]N[5])(O[5]C[5])(CCHH)	C[5](N[5]N[5]H)(O[5]C[5])(S)	O[5](C[5]N[5]C)(C[5]N[5]S){1|H<1>}	C[5](N[5]N[5])(O[5]C[5])(CCHH){1|H<1>,1|S<1>}	C[5](N[5]N[5]H)(O[5]C[5])(S){1|C<4>}	106.1163	0.396	6	106.1163	0.157	6	106.0821	0.256	12	105.7991	0.249	29	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	2:2:4:	3:2:1:	C[5]-3:C[5]-3:	N[5]-2:O[5]-2:C-4:	N[5]-3:O[5]-2:S-1:	O[5](C[5]N[5]C)(C[5]N[5]S)	C[5](N[5]N[5])(O[5]C[5])(CCHN)	C[5](N[5]N[5]H)(O[5]C[5])(S)	O[5](C[5]N[5]C)(C[5]N[5]S){1|H<1>}	C[5](N[5]N[5])(O[5]C[5])(CCHN){1|H<1>,1|S<1>}	C[5](N[5]N[5]H)(O[5]C[5])(S){1|C<4>}	106.7570	0.024	2	106.7570	0.001	2	106.0821	0.256	12	105.7991	0.249	29	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	2:2:4:	3:2:1:	C[5]-3:C[5]-3:	N[5]-2:O[5]-2:C-4:	N[5]-3:O[5]-2:S-1:	O[5](C[5]N[5]C)(C[5]N[5]S)	C[5](N[5]N[5])(O[5]C[5])(CCHO)	C[5](N[5]N[5]H)(O[5]C[5])(S)	O[5](C[5]N[5]C)(C[5]N[5]S){1|H<1>}	C[5](N[5]N[5])(O[5]C[5])(CCHO){1|H<1>,1|S<1>}	C[5](N[5]N[5]H)(O[5]C[5])(S){1|C<4>}	106.1820	0.000	1	106.1820	0.000	1	106.0821	0.256	12	105.7991	0.249	29	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	2:2:4:	3:2:1:	C[5]-3:C[5]-3:	N[5]-2:O[5]-2:C-4:	N[5]-3:O[5]-2:S-1:	O[5](C[5]N[5]C)(C[5]N[5]S)	C[5](N[5]N[5])(O[5]C[5])(CHHO)	C[5](N[5]N[5]H)(O[5]C[5])(S)	O[5](C[5]N[5]C)(C[5]N[5]S){1|H<1>}	C[5](N[5]N[5])(O[5]C[5])(CHHO){1|H<1>,1|S<1>}	C[5](N[5]N[5]H)(O[5]C[5])(S){1|C<4>}	105.3935	0.274	2	105.3935	0.075	2	106.0821	0.256	12	105.7991	0.249	29	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	2:2:4:	3:2:1:	C[5]-3:C[5]-3:	N[5]-2:O[5]-2:C-4:	N[5]-3:O[5]-2:S-1:	O[5](C[5]N[5]C)(C[5]N[5]S)	C[5](N[5]N[5])(O[5]C[5])(CHHS)	C[5](N[5]N[5]C)(O[5]C[5])(S)	O[5](C[5]N[5]C)(C[5]N[5]S){1|C<4>}	C[5](N[5]N[5])(O[5]C[5])(CHHS){1|C<4>,1|S<1>}	C[5](N[5]N[5]C)(O[5]C[5])(S){1|C<4>}	105.8040	0.000	1	105.8040	0.000	1	106.0821	0.256	12	105.7991	0.249	29	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	2:2:4:	4:2:1:	C[5]-3:C[5]-3:	N[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5]O)(C[5]N[5]C)	C[5](N[5]C[5])(O[5]C[5])(CC3)	C[5](C[5]N[5]CC)(O[5]C[5])(O)	O[5](C[5]C[5]O)(C[5]N[5]C){2|C<4>}	C[5](N[5]C[5])(O[5]C[5])(CC3){1|O<1>,2|C<4>}	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<4>}	105.4810	0.143	2	105.4810	0.020	2	105.4810	0.020	2	105.4810	0.020	2	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	2:2:4:	4:2:3:	C[5]-3:C[5]-3:	N[5]-2:O[5]-2:C-4:	C[5]-4:O[5]-2:C-3:	O[5](C[5]C[5]C)(C[5]N[5]C)	C[5](N[5]C[5])(O[5]C[5])(CC3)	C[5](C[5]N[5]HH)(O[5]C[5])(CC[6a]2)	O[5](C[5]C[5]C)(C[5]N[5]C){2|H<1>}	C[5](N[5]C[5])(O[5]C[5])(CC3){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(CC[6a]2){1|C<4>}	105.8530	0.000	1	105.8530	0.000	1	105.8530	0.000	1	105.8530	0.000	1	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:1:	3:2:1:	C[5]-3:C[5]-3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:O[5]-2:O-1:	O[5](C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(O)	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(O)	O[5](C[5]C[5,6a]O)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6,6a])(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>}	109.5020	0.588	2	109.5020	0.346	2	110.0329	0.458	29	109.5302	2.235	76	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:1:	3:2:1:	C[5]-3:C[5]-3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:O[5]-2:O-1:	O[5](C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	O[5](C[5]C[5,6a]O)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|Br<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|Br<1>,1|O<1>,2|C<3>}	110.7322	0.370	8	110.1227	0.404	26	110.0329	0.458	29	109.5302	2.235	76	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:1:	3:2:1:	C[5]-3:C[5]-3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:O[5]-2:O-1:	O[5](C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	O[5](C[5]C[5,6a]O)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	108.5490	0.000	1	110.1227	0.404	26	110.0329	0.458	29	109.5302	2.235	76	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:1:	3:2:1:	C[5]-3:C[5]-3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:O[5]-2:O-1:	O[5](C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	O[5](C[5]C[5,6a]O)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|Cl<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|Cl<1>,1|O<1>,2|C<3>}	110.4400	0.000	1	110.1227	0.404	26	110.0329	0.458	29	109.5302	2.235	76	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:1:	3:2:1:	C[5]-3:C[5]-3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:O[5]-2:O-1:	O[5](C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	O[5](C[5]C[5,6a]O)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	109.9354	0.445	14	110.1227	0.404	26	110.0329	0.458	29	109.5302	2.235	76	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:1:	3:2:1:	C[5]-3:C[5]-3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:O[5]-2:O-1:	O[5](C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	O[5](C[5]C[5,6a]O)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|N<3>,1|O<1>,2|C<3>}	109.6230	0.126	2	110.1227	0.404	26	110.0329	0.458	29	109.5302	2.235	76	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:1:	3:2:1:	C[5]-3:C[5]-3:	C[5,6a]-3:O[5]-2:O-1:	C[5,6a]-3:O[5]-2:O-1:	O[5](C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O)	O[5](C[5]C[5,6a]O)2{2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(O[5]C[5])(O){1|O<1>,3|C<3>}	108.7620	0.000	1	108.7620	0.000	1	110.0329	0.458	29	109.5302	2.235	76	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:1:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:H-1:	N[5]-3:O[5]-2:H-1:	O[5](C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]C)(O[5]C[5])(H)	C[5](N[5]C[5]Co)(O[5]C[5])(H)	O[5](C[5]C[5]H)(C[5]N[5]H){1|Co<6>,1|C<3>}	C[5](C[5]N[5]C)(O[5]C[5])(H){1|Co<6>,1|H<1>}	C[5](N[5]C[5]Co)(O[5]C[5])(H){1|C<3>,1|H<1>}	104.8890	0.000	1	104.8890	0.000	1	105.9543	0.851	3	109.5302	2.235	76	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:1:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:H-1:	N[5]-3:O[5]-2:H-1:	O[5](C[5]C[5]H)(C[5]N[5]H)	C[5](C[5]N[5]H)(O[5]C[5])(H)	C[5](N[5]C[5]C)(O[5]C[5])(H)	O[5](C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(O[5]C[5])(H){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(H){2|H<1>}	106.4870	0.008	2	106.4870	0.000	2	105.9543	0.851	3	109.5302	2.235	76	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:1:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]O)2	C[5](C[5]C[5]2)(O[5]C[5])(O)	C[5](C[5]C[5]C)(O[5]C[5])(O)	O[5](C[5]C[5]O)2{2|C<3>}	C[5](C[5]C[5]2)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|O<1>}	110.3550	0.000	1	110.3550	0.000	1	109.4426	2.491	44	109.5302	2.235	76	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:1:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]O)2	C[5](C[5]C[5]2)(O[5]C[5])(O)	C[5](C[5]C[5a]C[5])(O[5]C[5])(O)	O[5](C[5]C[5]O)2{2|C<3>}	C[5](C[5]C[5]2)(O[5]C[5])(O){1|C<2>,1|C<3>,1|O<1>,1|S<2>}	C[5](C[5]C[5a]C[5])(O[5]C[5])(O){1|O<1>,1|S<2>,2|C<3>}	108.1640	0.000	1	108.1640	0.000	1	109.4426	2.491	44	109.5302	2.235	76	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:1:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]O)2	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(O[5]C[5])(O)	O[5](C[5]C[5]O)2{2|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|O<1>}	110.5873	0.327	21	109.6520	2.464	29	109.4426	2.491	44	109.5302	2.235	76	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:1:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]O)2	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]C)(O[5]C[5])(O)	O[5](C[5]C[5]O)2{2|C<4>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,1|O<1>}	107.1970	0.190	8	109.6520	2.464	29	109.4426	2.491	44	109.5302	2.235	76	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:1:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]O)2	C[5](C[5]C[5]C[6])(O[5]C[5])(O)	C[5](C[5]C[5]C)(O[5]C[5])(O)	O[5](C[5]C[5]O)2{2|C<3>}	C[5](C[5]C[5]C[6])(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|O<1>}	110.5180	0.000	1	110.5270	0.000	2	109.4426	2.491	44	109.5302	2.235	76	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:1:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]O)2	C[5](C[5]C[5]C[6])(O[5]C[5])(O)	C[5](C[5]C[5]C)(O[5]C[5])(O)	O[5](C[5]C[5]O)2{2|C<3>}	C[5](C[5]C[5]C[6])(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|O<1>}	110.5360	0.000	1	110.5270	0.000	2	109.4426	2.491	44	109.5302	2.235	76	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:1:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]O)2	C[5](C[5]C[5]Cl)(O[5]C[5])(O)	C[5](C[5]C[5]Cl)(O[5]C[5])(O)	O[5](C[5]C[5]O)2{2|Cl<1>}	C[5](C[5]C[5]Cl)(O[5]C[5])(O){1|Cl<1>,1|O<1>}	C[5](C[5]C[5]Cl)(O[5]C[5])(O){1|Cl<1>,1|O<1>}	108.4900	0.000	1	108.4900	0.000	1	109.4426	2.491	44	109.5302	2.235	76	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:1:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]O)2	C[5](C[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]C[5]H)(O[5]C[5])(O)	O[5](C[5]C[5]O)2{2|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|H<1>,1|O<1>}	107.5570	0.000	1	107.5570	0.000	1	109.4426	2.491	44	109.5302	2.235	76	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:1:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]O)2	C[5](C[5]C[5a]C[5])(O[5]C[5])(O)	C[5](C[5]C[5a]C[5])(O[5]C[5])(O)	O[5](C[5]C[5]O)2{2|C<3>}	C[5](C[5]C[5a]C[5])(O[5]C[5])(O){1|O<1>,3|C<3>}	C[5](C[5]C[5a]C[5])(O[5]C[5])(O){1|O<1>,3|C<3>}	106.9950	0.000	1	106.9950	0.000	1	109.4426	2.491	44	109.5302	2.235	76	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:1:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]O)2	C[5](C[5]C[6,6]C[5])(O[5]C[5])(O)	C[5](C[5]C[5]C)(O[5]C[5])(O)	O[5](C[5]C[5]O)2{2|C<3>}	C[5](C[5]C[6,6]C[5])(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|O<1>}	111.1733	0.128	3	111.1733	0.016	3	109.4426	2.491	44	109.5302	2.235	76	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:1:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]O)2	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[5]C[5]H)(O[5]C[5])(O)	O[5](C[5]C[5]O)2{1|C<3>,1|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|C<3>,1|O<1>}	108.1060	0.131	3	108.1060	0.017	3	109.4426	2.491	44	109.5302	2.235	76	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:1:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]O)2	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(O)	O[5](C[5]C[5]O)2{2|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(O){1|O<1>,3|C<3>}	107.5570	0.218	2	107.5570	0.047	2	109.4426	2.491	44	109.5302	2.235	76	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:1:	3:2:2:	C[5]-3:C[5]-3:	C[5,6]-3:O[5]-2:O-1:	C[5,6]-3:O[5]-2:N-2:	O[5](C[5]C[5,6]N)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O)	C[5](C[5,6]C[5,6]O[6])(O[5]C[5])(NC[6])	O[5](C[5]C[5,6]N)(C[5]C[5,6]O){1|C<4>,1|O<2>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(O){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5,6]O[6])(O[5]C[5])(NC[6]){1|C<3>,1|C<4>,1|O<1>}	108.7140	0.000	1	108.7140	0.000	1	108.7140	0.000	1	108.7140	0.000	1	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:1:	3:2:3:	C[5]-3:C[5]-3:	C[5,6]-3:O[5]-2:O-1:	C[5,6]-3:O[5]-2:C-3:	O[5](C[5]C[5,6]C)(C[5]C[5,6]O)	C[5](C[5,6]C[4,6]C[5,6])(O[5]C[5])(O)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CCH)	O[5](C[5]C[5,6]C)(C[5]C[5,6]O){2|C<4>}	C[5](C[5,6]C[4,6]C[5,6])(O[5]C[5])(O){1|C<3>,1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CCH){1|O<1>,2|C<4>,2|H<1>}	108.4670	0.000	1	108.4670	0.000	1	108.4670	0.000	1	108.0360	0.145	3	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:1:	3:2:3:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:O[5]-2:C-3:	O[5](C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5a]C[5])(O[5]C[5])(O)	C[5](C[5]C[5]C)(O[5]C[5])(CCH)	O[5](C[5]C[5]C)(C[5]C[5]O){1|C<3>,1|C<4>}	C[5](C[5]C[5a]C[5])(O[5]C[5])(O){1|C<4>,3|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(CCH){1|C<3>,1|O<1>}	107.8205	0.104	2	107.8205	0.011	2	107.8205	0.011	2	108.0360	0.145	3	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5]O)2	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(O[5]C[5])(O)	O[5](C[5]C[5]O)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<3>,1|O<1>}	110.6300	0.000	1	110.6965	0.009	2	110.2977	0.482	3	109.4378	0.435	13	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5]O)2	C[5](C[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(O[5]C[5])(O)	O[5](C[5]C[5]O)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<3>,1|O<1>}	110.7630	0.000	1	110.6965	0.009	2	110.2977	0.482	3	109.4378	0.435	13	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5]O)2	C[5](C[5]C[5]Pd)(O[5]C[5])(O)	C[5](C[5]C[5]PdH)(O[5]C[5])(O)	O[5](C[5]C[5]O)2{1|Pd<4>,1|H<1>}	C[5](C[5]C[5]Pd)(O[5]C[5])(O){1|H<1>,1|O<1>}	C[5](C[5]C[5]PdH)(O[5]C[5])(O){1|O<1>}	109.5000	0.000	1	109.5000	0.000	1	110.2977	0.482	3	109.4378	0.435	13	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:1:	4:2:1:	C[5]-3:C[5]-3:	N[5]-3:O[5]-2:O-1:	C[5]-4:O[5]-2:C-1:	O[5](C[5]C[5]C)(C[5]N[5]O)	C[5](N[5]C[6a]C[5])(O[5]C[5])(O)	C[5](C[5]N[5]HN)(O[5]C[5])(C)	O[5](C[5]C[5]C)(C[5]N[5]O){1|C<3>,1|H<1>,1|N<3>}	C[5](N[5]C[6a]C[5])(O[5]C[5])(O){1|C<1>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]N[5]HN)(O[5]C[5])(C){1|C<3>,1|O<1>}	109.6020	0.000	1	109.6020	0.000	1	109.6020	0.000	1	109.4378	0.435	13	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:1:	4:2:1:	C[5]-3:C[5]-3:	N[5]-3:O[5]-2:O-1:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5]O)(C[5]N[5]O)	C[5](N[5]C[5]C)(O[5]C[5])(O)	C[5](C[5]N[5]CH)(O[5]C[5])(O)	O[5](C[5]C[5]O)(C[5]N[5]O){1|H<1>,2|C<4>}	C[5](N[5]C[5]C)(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(O){1|C<4>,1|O<1>}	108.5560	0.000	1	108.5560	0.000	1	109.1329	0.147	9	109.4378	0.435	13	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:1:	4:2:1:	C[5]-3:C[5]-3:	N[5]-3:O[5]-2:O-1:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5]O)(C[5]N[5]O)	C[5](N[5]C[5]H)(O[5]C[5])(O)	C[5](C[5]N[5]CH)(O[5]C[5])(O)	O[5](C[5]C[5]O)(C[5]N[5]O){1|C<4>,2|H<1>}	C[5](N[5]C[5]H)(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(O){1|H<1>,1|O<1>}	109.2050	0.338	8	109.2050	0.114	8	109.1329	0.147	9	109.4378	0.435	13	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	2:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:P[5]-2:	O[5]-2:P[5]-2:O-1:	O[5](C[5]C[5]P[5])(C[5]P[5]O)	C[5](C[5]N[5]2)(O[5]C[5])(P[5]P[5])	C[5](O[5]C[5])(P[5]P[5])(O)	O[5](C[5]C[5]P[5])(C[5]P[5]O){2|N<3>}	C[5](C[5]N[5]2)(O[5]C[5])(P[5]P[5]){1|O<1>,4|C<3>}	C[5](O[5]C[5])(P[5]P[5])(O){1|C<3>}	115.8880	0.000	1	115.8880	0.000	1	115.8880	0.000	1	115.8880	0.000	1	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	2:2:2:	C[5]-3:C[5]-3:	N[6]-3:C[5]-2:O[5]-2:	O[5]-2:S[5]-2:C-2:	O[5](C[5]C[5]N[6])(C[5]S[5]C)	C[5](N[6]C[6]2)(C[5]S[5])(O[5]C[5])	C[5](O[5]C[5])(S[5]C[5])(CO)	O[5](C[5]C[5]N[6])(C[5]S[5]C){1|C<2>,1|C<3>}	C[5](N[6]C[6]2)(C[5]S[5])(O[5]C[5]){1|N<2>,1|O<1>,2|C<2>}	C[5](O[5]C[5])(S[5]C[5])(CO){1|N<3>}	113.5970	0.000	1	113.5970	0.000	1	113.5970	0.000	1	113.5970	0.000	1	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:	C-3:N[5]-2:O[5]-2:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]O)(C[5]N[5]C)	C[5](CC[5a]C[6a])(N[5]C[5])(O[5]C[5])	C[5](C[5]N[5]C)(O[5]C[5])(O)	O[5](C[5]C[5]O)(C[5]N[5]C){1|C<3>}	C[5](CC[5a]C[6a])(N[5]C[5])(O[5]C[5]){1|C<3>,1|O<1>}	C[5](C[5]N[5]C)(O[5]C[5])(O){1|C<3>}	106.4402	0.385	12	106.4402	0.148	12	106.3961	0.146	14	106.0366	0.755	47	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:	C-3:N[5]-2:O[5]-2:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]O)(C[5]N[5]C)	C[5](CC[6a]C[5])(N[5]C[5])(O[5]C[5])	C[5](C[5]N[5]C)(O[5]C[5])(O)	O[5](C[5]C[5]O)(C[5]N[5]C){1|C<3>}	C[5](CC[6a]C[5])(N[5]C[5])(O[5]C[5]){1|C<3>,1|O<1>}	C[5](C[5]N[5]C)(O[5]C[5])(O){1|C<3>}	106.1320	0.321	2	106.1320	0.103	2	106.3961	0.146	14	106.0366	0.755	47	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:	C[5,6]-3:O[5]-2:N-2:	C[5,6]-3:O[5]-2:O-1:	O[5](C[5]C[5,6]N)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]2)(O[5]C[5])(NC[6a])	C[5](C[5,6]C[5,6]2)(O[5]C[5])(O)	O[5](C[5]C[5,6]N)(C[5]C[5,6]O){2|C<4>}	C[5](C[5,6]C[5,6]2)(O[5]C[5])(NC[6a]){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5](C[5,6]C[5,6]2)(O[5]C[5])(O){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	108.6790	0.296	2	108.6790	0.087	2	108.6790	0.087	2	106.0366	0.755	47	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:	C[5,6a]-3:O[5]-2:N-2:	C[5,6a]-3:O[5]-2:O-1:	O[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NN)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	O[5](C[5]C[5,6a]N)(C[5]C[5,6a]O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(NN){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,1|N<2>,2|C<3>}	108.5750	0.000	1	108.5750	0.000	1	108.5750	0.000	1	106.0366	0.755	47	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:N-2:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]N)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(NC)	C[5](C[5]C[5]C)(O[5]C[5])(O)	O[5](C[5]C[5]N)(C[5]C[5]O){2|C<4>}	C[5](C[5]C[5]C)(O[5]C[5])(NC){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<4>,1|N<2>}	107.0680	0.000	1	107.0680	0.000	1	107.0680	0.000	1	106.0366	0.755	47	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:	C[5a]-3:C[5]-2:O[5]-2:	C[5]-3:O[5]-2:H-1:	O[5](C[5]C[5a]C[5])(C[5]C[5]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5])(O[5]C[5])	C[5](C[5]C[5]H)(O[5]C[5])(H)	O[5](C[5]C[5a]C[5])(C[5]C[5]H){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5])(O[5]C[5]){1|C<2>,2|N<2>,3|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(H){1|C<3>}	105.8530	0.000	1	105.8530	0.000	1	105.8530	0.000	1	106.0366	0.755	47	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:	C[5a]-3:N[5]-2:O[5]-2:	N[5]-3:O[5]-2:S-1:	O[5](C[5]C[5a]N[5])(C[5]N[5]S)	C[5](C[5a]C[5a]O[5a])(N[5]N[5])(O[5]C[5])	C[5](N[5]N[5]H)(O[5]C[5])(S)	O[5](C[5]C[5a]N[5])(C[5]N[5]S){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5a]C[5a]O[5a])(N[5]N[5])(O[5]C[5]){1|S<1>,2|C<3>,2|H<1>}	C[5](N[5]N[5]H)(O[5]C[5])(S){1|C<3>}	105.3670	0.000	1	105.3670	0.000	1	105.3670	0.000	1	106.0366	0.755	47	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[6a]N[5])(C[5]C[5]O)	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5])(O[5]C[5])	C[5](C[5]N[5]C)(O[5]C[5])(O)	O[5](C[5]C[6a]N[5])(C[5]C[5]O){3|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(N[5]C[5])(O[5]C[5]){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]N[5]C)(O[5]C[5])(O){1|C<3>}	105.5970	0.390	3	105.5970	0.152	3	105.4855	0.091	21	106.0366	0.755	47	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[6a]N[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[5](C[5]N[5]C)(O[5]C[5])(O)	O[5](C[5]C[6a]N[5])(C[5]C[5]O){3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]N[5]C)(O[5]C[5])(O){1|C<3>}	105.3860	0.000	1	105.4669	0.087	18	105.4855	0.091	21	106.0366	0.755	47	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[6a]N[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[5](C[5]N[5]C)(O[5]C[5])(O)	O[5](C[5]C[6a]N[5])(C[5]C[5]O){3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]N[5]C)(O[5]C[5])(O){1|C<3>}	105.4421	0.287	16	105.4669	0.087	18	105.4855	0.091	21	106.0366	0.755	47	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[6a]N[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[5](C[5]N[5]C)(O[5]C[5])(O)	O[5](C[5]C[6a]N[5])(C[5]C[5]O){3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Pd<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5]N[5]C)(O[5]C[5])(O){1|C<3>}	105.9450	0.000	1	105.4669	0.087	18	105.4855	0.091	21	106.0366	0.755	47	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-2:O[5]-2:	N[5]-3:O[5]-2:S-1:	O[5](C[5]C[6a]N[5])(C[5]N[5]S)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[5](N[5]N[5]C)(O[5]C[5])(S)	O[5](C[5]C[6a]N[5])(C[5]N[5]S){1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|C<4>,1|O<2>,1|S<1>,3|C<3>}	C[5](N[5]N[5]C)(O[5]C[5])(S){1|C<3>}	105.3250	0.000	1	105.3250	0.000	1	105.7932	0.084	6	106.0366	0.755	47	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-2:O[5]-2:	N[5]-3:O[5]-2:S-1:	O[5](C[5]C[6a]N[5])(C[5]N[5]S)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[5](N[5]N[5]H)(O[5]C[5])(S)	O[5](C[5]C[6a]N[5])(C[5]N[5]S){1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|C<3>,1|N<2>,1|S<1>,3|H<1>}	C[5](N[5]N[5]H)(O[5]C[5])(S){1|C<3>}	105.8660	0.000	1	105.8868	0.039	5	105.7932	0.084	6	106.0366	0.755	47	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:1:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-2:O[5]-2:	N[5]-3:O[5]-2:S-1:	O[5](C[5]C[6a]N[5])(C[5]N[5]S)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[5](N[5]N[5]H)(O[5]C[5])(S)	O[5](C[5]C[6a]N[5])(C[5]N[5]S){1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|S<1>,2|C<3>,3|H<1>}	C[5](N[5]N[5]H)(O[5]C[5])(S){1|C<3>}	105.8920	0.229	4	105.8868	0.039	5	105.7932	0.084	6	106.0366	0.755	47	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:2:	C[5]-3:C[5]-3:	C[6a]-3:C[5]-2:O[5]-2:	C[6a]-3:N[5]-2:O[5]-2:	O[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5])(O[5]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	O[5](C[5]C[6a]C[5])(C[5]C[6a]N[5]){4|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5])(O[5]C[5]){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){2|H<1>,3|C<3>}	104.0200	0.000	1	104.0200	0.000	1	104.0200	0.000	1	103.6425	0.302	6	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:2:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-2:O[5]-2:	N[5]-3:O[5]-2:N-2:	O[5](C[5]C[6a]N[5])(C[5]N[5]N)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[5](N[5]N[5]Ir)(O[5]C[5])(NP)	O[5](C[5]C[6a]N[5])(C[5]N[5]N){1|Ir<6>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Ir<6>,1|N<2>,2|C<3>,2|H<1>}	C[5](N[5]N[5]Ir)(O[5]C[5])(NP){1|C<3>}	103.9520	0.379	2	103.9520	0.144	2	103.9520	0.144	2	103.6425	0.302	6	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:2:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-2:O[5]-2:	N[5]-3:O[5]-2:S-2:	O[5](C[5]C[6a]N[5])(C[5]N[5]S)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[5](N[5]N[5]Pt)(O[5]C[5])(SPt)	O[5](C[5]C[6a]N[5])(C[5]N[5]S){1|Pt<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Pt<4>,1|S<2>,2|C<3>,2|H<1>}	C[5](N[5]N[5]Pt)(O[5]C[5])(SPt){1|C<3>}	103.2545	0.827	2	103.3103	0.351	3	103.3103	0.351	3	103.6425	0.302	6	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:2:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-2:O[5]-2:	N[5]-3:O[5]-2:S-2:	O[5](C[5]C[6a]N[5])(C[5]N[5]S)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[5](N[5]N[5]Pt)(O[5]C[5])(SPt)	O[5](C[5]C[6a]N[5])(C[5]N[5]S){1|Pt<5>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Pt<5>,1|S<2>,2|C<3>,2|H<1>}	C[5](N[5]N[5]Pt)(O[5]C[5])(SPt){1|C<3>}	103.4220	0.000	1	103.3103	0.351	3	103.3103	0.351	3	103.6425	0.302	6	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:3:	C[5]-3:C[5]-3:	C[5a]-3:N[5]-2:O[5]-2:	N[5]-3:O[5]-2:N-3:	O[5](C[5]C[5a]N[5])(C[5]N[5]N)	C[5](C[5a]C[5a]N[5a])(N[5]N[5])(O[5]C[5])	C[5](N[5]N[5]H)(O[5]C[5])(NHH)	O[5](C[5]C[5a]N[5])(C[5]N[5]N){1|C<3>,1|H<1>,1|N<2>}	C[5](C[5a]C[5a]N[5a])(N[5]N[5])(O[5]C[5]){1|H<1>,1|N<3>,1|O<2>,2|N<2>}	C[5](N[5]N[5]H)(O[5]C[5])(NHH){1|C<3>}	104.0540	0.000	1	104.0540	0.000	1	104.0540	0.000	1	103.5100	0.592	2	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:3:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-2:O[5]-2:	N[5]-3:O[5]-2:N-3:	O[5](C[5]C[6a]N[5])(C[5]N[5]N)	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[5](N[5]N[5]Ru)(O[5]C[5])(NCH)	O[5](C[5]C[6a]N[5])(C[5]N[5]N){1|Ru<9>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Ru<9>,1|N<3>,2|C<3>,2|H<1>}	C[5](N[5]N[5]Ru)(O[5]C[5])(NCH){1|C<3>}	102.9660	0.000	1	102.9660	0.000	1	102.9660	0.000	1	103.5100	0.592	2	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:4:	C[5]-3:C[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[5]-3:O[5]-2:C-4:	O[5](C[5]C[6a]O[5])(C[5]C[5]C)	C[5](C[6a]C[6a]2)(O[5]C[5])2	C[5](C[5]O[5]C)(O[5]C[5])(CBHH)	O[5](C[5]C[6a]O[5])(C[5]C[5]C){1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]O[5]C)(O[5]C[5])(CBHH){1|C<3>}	107.3710	0.000	1	107.3710	0.000	1	107.2190	0.046	2	107.2190	0.046	2	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	3:2:4:	C[5]-3:C[5]-3:	C[6a]-3:O[5]-2:O[5]-2:	C[5]-3:O[5]-2:C-4:	O[5](C[5]C[6a]O[5])(C[5]C[5]C)	C[5](C[6a]C[6a]2)(O[5]C[5])2	C[5](C[5]O[5]C)(O[5]C[5])(CH3)	O[5](C[5]C[6a]O[5])(C[5]C[5]C){1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]O[5]C)(O[5]C[5])(CH3){1|C<3>}	107.0670	0.000	1	107.0670	0.000	1	107.2190	0.046	2	107.2190	0.046	2	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	3:3:2:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-2:O[5]-2:	C[6]-3:N[5]-3:O[5]-2:	O[5](C[5]C[6a]N[5])(C[5]C[6]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(O[5]C[5])	O[5](C[5]C[6a]N[5])(C[5]C[6]N[5]){1|Ir<6>,1|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Ir<6>,2|H<1>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Ir)(O[5]C[5]){1|H<1>,3|C<3>}	104.0070	1.469	2	104.0070	2.159	2	102.5116	1.214	9	102.6303	1.049	11	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	3:3:2:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-2:O[5]-2:	C[6]-3:N[5]-3:O[5]-2:	O[5](C[5]C[6a]N[5])(C[5]C[6]N[5])	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(O[5]C[5])	O[5](C[5]C[6a]N[5])(C[5]C[6]N[5]){1|Re<6>,1|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Re<6>,2|H<1>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Re)(O[5]C[5]){1|H<1>,3|C<3>}	102.2890	0.000	1	102.2890	0.000	1	102.5116	1.214	9	102.6303	1.049	11	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	3:3:2:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-2:O[5]-2:	C[6]-3:N[5]-3:O[5]-2:	O[5](C[5]C[6a]N[5])(C[5]C[6]N[5])	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(O[5]C[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(O[5]C[5])	O[5](C[5]C[6a]N[5])(C[5]C[6]N[5]){1|Fe<6>,1|N<2>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(O[5]C[5]){1|Fe<6>,1|H<1>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Fe)(O[5]C[5]){1|H<1>,3|C<3>}	102.2817	0.326	3	102.2817	0.106	3	102.5116	1.214	9	102.6303	1.049	11	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	3:3:2:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-2:O[5]-2:	C[6]-3:N[5]-3:O[5]-2:	O[5](C[5]C[6a]N[5])(C[5]C[6]N[5])	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(O[5]C[5])	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(O[5]C[5])	O[5](C[5]C[6a]N[5])(C[5]C[6]N[5]){1|Pt<6>,1|N<2>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]N[6a])(N[5]N[5])(O[5]C[5]){1|Pt<6>,1|H<1>,3|C<3>}	C[5](C[6]C[6]N[6])(N[5]N[5]Pt)(O[5]C[5]){1|H<1>,3|C<3>}	101.8187	0.782	3	101.8187	0.612	3	102.5116	1.214	9	102.6303	1.049	11	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	3:3:2:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-2:O[5]-2:	C[6a]-3:N[5]-3:O[5]-2:	O[5](C[5]C[6a]N[5])2	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(O[5]C[5])	O[5](C[5]C[6a]N[5])2{1|Ir<6>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Ir<6>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(O[5]C[5]){1|H<1>,3|C<3>}	103.1645	0.274	2	103.1645	0.075	2	103.1645	0.075	2	102.6303	1.049	11	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	4:2:1:	C[5]-3:C[5]-3:	C[5a]-3:N[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5a]N[5])(C[5]C[5]O)	C[5](C[5a]C[5a]O[5a])(N[5]C[5])(O[5]C[5])	C[5](C[5]N[5]CC)(O[5]C[5])(O)	O[5](C[5]C[5a]N[5])(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>}	C[5](C[5a]C[5a]O[5a])(N[5]C[5])(O[5]C[5]){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<3>}	105.5620	0.000	1	105.5620	0.000	1	105.5620	0.000	1	105.6105	0.172	43	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	4:2:1:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-2:O[5]-2:	C[4,5]-4:O[5]-2:O-1:	O[5](C[5]C[6a]N[5])(C[5]C[4,5]O)	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[5])	C[5](C[4,5]C[4]2N[5])(O[5]C[5])(O)	O[5](C[5]C[6a]N[5])(C[5]C[4,5]O){2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[4,5]C[4]2N[5])(O[5]C[5])(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	105.7750	0.000	1	105.1637	0.092	7	105.1637	0.092	7	105.6105	0.172	43	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	4:2:1:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-2:O[5]-2:	C[4,5]-4:O[5]-2:O-1:	O[5](C[5]C[6a]N[5])(C[5]C[4,5]O)	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[5])	C[5](C[4,5]C[4]2N[5])(O[5]C[5])(O)	O[5](C[5]C[6a]N[5])(C[5]C[4,5]O){2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[4,5])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[4,5]C[4]2N[5])(O[5]C[5])(O){1|C<4>,2|H<1>,3|C<3>}	105.0618	0.153	6	105.1637	0.092	7	105.1637	0.092	7	105.6105	0.172	43	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	4:2:1:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-2:O[5]-2:	C[5,5]-4:O[5]-2:O-1:	O[5](C[5]C[6a]N[5])(C[5]C[5,5]O)	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5])	C[5](C[5,5]C[5,5]C[5,6]N[5])(O[5]C[5])(O)	O[5](C[5]C[6a]N[5])(C[5]C[5,5]O){2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5,6]N[5])(O[5]C[5])(O){1|N<3>,3|C<3>,3|C<4>}	105.8820	0.000	1	105.8820	0.000	1	105.5770	0.088	5	105.6105	0.172	43	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	4:2:1:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-2:O[5]-2:	C[5,5]-4:O[5]-2:O-1:	O[5](C[5]C[6a]N[5])(C[5]C[5,5]O)	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5])	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(O)	O[5](C[5]C[6a]N[5])(C[5]C[5,5]O){1|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(O){1|C<4>,1|H<1>,4|C<3>}	105.7030	0.000	1	105.5007	0.079	4	105.5770	0.088	5	105.6105	0.172	43	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	4:2:1:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-2:O[5]-2:	C[5,5]-4:O[5]-2:O-1:	O[5](C[5]C[6a]N[5])(C[5]C[5,5]O)	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5])	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(O)	O[5](C[5]C[6a]N[5])(C[5]C[5,5]O){2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	105.5250	0.000	1	105.5007	0.079	4	105.5770	0.088	5	105.6105	0.172	43	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	4:2:1:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-2:O[5]-2:	C[5,5]-4:O[5]-2:O-1:	O[5](C[5]C[6a]N[5])(C[5]C[5,5]O)	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5])	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(O)	O[5](C[5]C[6a]N[5])(C[5]C[5,5]O){2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(O){2|C<3>,2|C<4>,3|H<1>}	105.3875	0.411	2	105.5007	0.079	4	105.5770	0.088	5	105.6105	0.172	43	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	4:2:1:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-2:O[5]-2:	C[5,6]-4:O[5]-2:O-1:	O[5](C[5]C[6a]N[5])(C[5]C[5,6]O)	C[5](C[6a]C[6a]2)(N[5]C[5,6])(O[5]C[5])	C[5](C[5,6]C[6]2N[5])(O[5]C[5])(O)	O[5](C[5]C[6a]N[5])(C[5]C[5,6]O){2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5,6])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[6]2N[5])(O[5]C[5])(O){1|C<4>,3|C<3>,3|H<1>}	105.4970	0.000	1	105.4646	0.037	5	105.4646	0.037	5	105.6105	0.172	43	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	4:2:1:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-2:O[5]-2:	C[5,6]-4:O[5]-2:O-1:	O[5](C[5]C[6a]N[5])(C[5]C[5,6]O)	C[5](C[6a]C[6a]2)(N[5]C[5,6])(O[5]C[5])	C[5](C[5,6]C[6]2N[5])(O[5]C[5])(O)	O[5](C[5]C[6a]N[5])(C[5]C[5,6]O){2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5,6])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[6]2N[5])(O[5]C[5])(O){2|C<4>,2|H<1>,3|C<3>}	105.4565	0.222	4	105.4646	0.037	5	105.4646	0.037	5	105.6105	0.172	43	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	4:2:1:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[6a]N[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[5](C[5]C[5]N[5]C)(O[5]C[5])(O)	O[5](C[5]C[6a]N[5])(C[5]C[5]O){2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]N[5]C)(O[5]C[5])(O){1|C<3>,1|H<1>,2|C<4>}	105.3420	0.000	1	105.3420	0.000	1	105.7734	0.166	25	105.6105	0.172	43	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	4:2:1:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[6a]N[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[5](C[5]C[6]N[5]C)(O[5]C[5])(O)	O[5](C[5]C[6a]N[5])(C[5]C[5]O){2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6]N[5]C)(O[5]C[5])(O){1|H<1>,1|N<3>,2|C<3>}	105.4507	0.361	3	105.4507	0.131	3	105.7734	0.166	25	105.6105	0.172	43	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	4:2:1:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[6a]N[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[5](C[5]C[6a]C[5]N[5])(O[5]C[5])(O)	O[5](C[5]C[6a]N[5])(C[5]C[5]O){1|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]N[5])(O[5]C[5])(O){1|N<2>,5|C<3>}	105.8225	0.019	2	105.8225	0.000	2	105.7734	0.166	25	105.6105	0.172	43	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	4:2:1:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[6a]N[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[5](C[5]N[5]CC)(O[5]C[5])(O)	O[5](C[5]C[6a]N[5])(C[5]C[5]O){1|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<3>}	106.6640	0.088	2	105.8956	0.178	16	105.7734	0.166	25	105.6105	0.172	43	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	4:2:1:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[6a]N[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[5](C[5]N[5]CC)(O[5]C[5])(O)	O[5](C[5]C[6a]N[5])(C[5]C[5]O){2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<3>}	105.7858	0.317	14	105.8956	0.178	16	105.7734	0.166	25	105.6105	0.172	43	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	4:2:1:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[6a]N[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[5](C[5]N[5]CH)(O[5]C[5])(O)	O[5](C[5]C[6a]N[5])(C[5]C[5]O){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(O){1|C<3>}	105.5960	0.000	1	105.5960	0.000	1	105.7734	0.166	25	105.6105	0.172	43	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	4:2:1:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[6a]N[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[5](C[5]N[5]CS)(O[5]C[5])(O)	O[5](C[5]C[6a]N[5])(C[5]C[5]O){1|C<4>,1|S<2>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5]CS)(O[5]C[5])(O){1|C<3>}	105.8320	0.000	1	105.8320	0.000	1	105.7734	0.166	25	105.6105	0.172	43	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	4:2:1:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[6a]N[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[5](C[5]N[5]FeC)(O[5]C[5])(O)	O[5](C[5]C[6a]N[5])(C[5]C[5]O){1|Fe<7>,1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|Fe<7>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]N[5]FeC)(O[5]C[5])(O){1|C<3>}	105.2380	0.000	1	105.2380	0.000	1	105.7734	0.166	25	105.6105	0.172	43	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	4:2:3:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-3:	O[5](C[5]C[6a]N[5])(C[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[5](C[5]N[5]CC)(O[5]C[5])(CCH)	O[5](C[5]C[6a]N[5])(C[5]C[5]C){2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5]CC)(O[5]C[5])(CCH){1|C<3>}	105.8630	0.000	1	105.8630	0.000	1	105.7255	0.038	2	107.5540	4.519	4	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	4:2:3:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-2:O[5]-2:	C[5]-4:O[5]-2:C-3:	O[5](C[5]C[6a]N[5])(C[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5])	C[5](C[5]N[5]HH)(O[5]C[5])(CHH)	O[5](C[5]C[6a]N[5])(C[5]C[5]C){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5])(O[5]C[5]){3|C<3>,4|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(CHH){1|C<3>}	105.5880	0.000	1	105.5880	0.000	1	105.7255	0.038	2	107.5540	4.519	4	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:2:	4:2:3:	C[5]-3:C[5]-3:	N[5]-3:O[5]-2:N-2:	C[5]-4:O[5]-2:C-3:	O[5](C[5]C[5]C)(C[5]N[5]N)	C[5](N[5]C[5]C)(O[5]C[5])(NC[6a])	C[5](C[5]N[5]HH)(O[5]C[5])(CHI)	O[5](C[5]C[5]C)(C[5]N[5]N){1|C<4>,2|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(NC[6a]){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(CHI){1|C<4>,1|N<2>}	109.3825	0.380	2	109.3825	0.144	2	109.3825	0.144	2	107.5540	4.519	4	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:3:	2:2:3:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-3:	O[5]-2:O[5]-2:C-3:	O[5](C[5]C[5]C)(C[5]O[5]C)	C[5](C[5]O[5]N)(O[5]C[5])(CC[6a]2)	C[5](O[5]C[5])2(CC[6a]2)	O[5](C[5]C[5]C)(C[5]O[5]C){1|N<2>}	C[5](C[5]O[5]N)(O[5]C[5])(CC[6a]2){1|C<3>}	C[5](O[5]C[5])2(CC[6a]2){1|C<3>,1|N<2>}	109.2740	0.287	3	109.2740	0.082	3	109.2740	0.082	3	107.4422	6.334	5	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:3:	2:2:3:	C[5]-3:C[5]-3:	N[5]-3:O[5]-2:N-3:	N[5]-2:O[5]-2:C-3:	O[5](C[5]N[5]C)(C[5]N[5]N)	C[5](N[5]N[5]N)(O[5]C[5])(NHH)	C[5](N[5]N[5])(O[5]C[5])(CNN)	O[5](C[5]N[5]C)(C[5]N[5]N){1|N<3>}	C[5](N[5]N[5]N)(O[5]C[5])(NHH){1|C<3>}	C[5](N[5]N[5])(O[5]C[5])(CNN){2|N<3>}	104.6945	0.056	2	104.6945	0.003	2	104.6945	0.003	2	107.4422	6.334	5	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:3:	3:2:1:	C[5]-3:C[5]-3:	C[5,6]-3:O[5]-2:C-3:	C[5,6]-3:O[5]-2:O-1:	O[5](C[5]C[5,6]C)(C[5]C[5,6]O)	C[5](C[5,6]C[5,6]O[6])(O[5]C[5])(CCH)	C[5](C[5,6]C[5,6]O[6])(O[5]C[5])(O)	O[5](C[5]C[5,6]C)(C[5]C[5,6]O){2|O<2>}	C[5](C[5,6]C[5,6]O[6])(O[5]C[5])(CCH){1|C<4>,1|O<1>,1|O<2>}	C[5](C[5,6]C[5,6]O[6])(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<2>}	108.9850	0.000	1	108.9850	0.000	1	108.9850	0.000	1	108.7696	0.991	59	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:3:	3:2:1:	C[5]-3:C[5]-3:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:O[5]-2:O-1:	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCC){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,3|C<3>}	109.8490	0.072	2	109.8490	0.005	2	109.8899	0.424	13	108.7696	0.991	59	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:3:	3:2:1:	C[5]-3:C[5]-3:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:O[5]-2:O-1:	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCH){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,3|C<3>}	109.9060	0.297	3	109.9060	0.088	3	109.8899	0.424	13	108.7696	0.991	59	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:3:	3:2:1:	C[5]-3:C[5]-3:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:O[5]-2:O-1:	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCI)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CCI){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,3|C<3>}	111.1820	0.000	1	111.1820	0.000	1	109.8899	0.424	13	108.7696	0.991	59	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:3:	3:2:1:	C[5]-3:C[5]-3:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:O[5]-2:O-1:	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[5a]H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|N<3>,1|O<1>,2|C<3>}	108.7560	0.000	1	108.7560	0.000	1	109.8899	0.424	13	108.7696	0.991	59	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:3:	3:2:1:	C[5]-3:C[5]-3:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:O[5]-2:O-1:	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]C){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,3|C<3>}	110.3850	0.300	2	110.3850	0.090	2	109.8899	0.424	13	108.7696	0.991	59	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:3:	3:2:1:	C[5]-3:C[5]-3:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:O[5]-2:O-1:	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,3|C<3>}	109.4005	0.029	2	109.4005	0.001	2	109.8899	0.424	13	108.7696	0.991	59	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:3:	3:2:1:	C[5]-3:C[5]-3:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:O[5]-2:O-1:	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHO)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CHO){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,3|C<3>}	109.1590	0.000	1	109.1590	0.000	1	109.8899	0.424	13	108.7696	0.991	59	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:3:	3:2:1:	C[5]-3:C[5]-3:	C[5,6a]-3:O[5]-2:C-3:	C[5,6a]-3:O[5]-2:O-1:	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CSiH)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	O[5](C[5]C[5,6a]C)(C[5]C[5,6a]O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CSiH){1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|O<2>,3|C<3>}	110.4850	0.000	1	110.4850	0.000	1	109.8899	0.424	13	108.7696	0.991	59	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:3:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-3:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]Br)(O[5]C[5])(CCH)	C[5](C[5]C[5]C)(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]C[5]O){1|Br<1>,1|C<4>}	C[5](C[5]C[5]Br)(O[5]C[5])(CCH){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|Br<1>,1|C<3>}	107.9750	0.822	6	107.9750	0.676	6	108.4891	0.708	39	108.7696	0.991	59	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:3:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-3:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(CCC)	C[5](C[5]C[5]2)(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]C[5]O){2|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(CCC){1|C<3>,1|O<1>}	C[5](C[5]C[5]2)(O[5]C[5])(O){2|C<3>,2|C<4>}	109.5260	0.000	1	109.5260	0.000	1	108.4891	0.708	39	108.7696	0.991	59	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:3:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-3:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(CCC)	C[5](C[5]C[5]C)(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]C[5]O){2|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(CCC){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){2|C<3>}	109.6303	0.428	6	109.6303	0.183	6	108.4891	0.708	39	108.7696	0.991	59	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:3:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-3:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(CCH)	C[5](C[5]C[5]Br)(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]C[5]O){1|Br<1>,1|C<4>}	C[5](C[5]C[5]C)(O[5]C[5])(CCH){1|Br<1>,1|O<1>}	C[5](C[5]C[5]Br)(O[5]C[5])(O){1|C<3>,1|C<4>}	107.8330	0.000	1	107.8330	0.000	1	108.4891	0.708	39	108.7696	0.991	59	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:3:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-3:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(CCH)	C[5](C[5]C[5]C)(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]C[5]O){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(O[5]C[5])(CCH){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){2|C<3>}	107.6590	0.000	1	107.6590	0.000	1	108.4891	0.708	39	108.7696	0.991	59	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:3:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-3:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(CCH)	C[5](C[5]C[5]O)(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]C[5]O){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(CCH){2|O<1>}	C[5](C[5]C[5]O)(O[5]C[5])(O){2|C<3>}	110.2000	0.000	1	110.2000	0.000	1	108.4891	0.708	39	108.7696	0.991	59	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:3:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-3:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(CC[6a]H)	C[5](C[5]C[5]H)(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]C[5]O){1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(CC[6a]H){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|C<3>,1|C<4>}	107.9510	0.000	1	107.9510	0.000	1	108.4891	0.708	39	108.7696	0.991	59	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:3:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-3:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]Cl)(O[5]C[5])(CCC)	C[5](C[5]C[5]Cl)(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]C[5]O){2|Cl<1>}	C[5](C[5]C[5]Cl)(O[5]C[5])(CCC){1|Cl<1>,1|O<1>}	C[5](C[5]C[5]Cl)(O[5]C[5])(O){1|Cl<1>,1|C<3>}	109.1220	0.000	1	109.1220	0.000	1	108.4891	0.708	39	108.7696	0.991	59	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:3:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-3:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]Cl)(O[5]C[5])(CC[5a]C)	C[5](C[5]C[5]Cl)(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]C[5]O){2|Cl<1>}	C[5](C[5]C[5]Cl)(O[5]C[5])(CC[5a]C){1|Cl<1>,1|O<1>}	C[5](C[5]C[5]Cl)(O[5]C[5])(O){1|Cl<1>,1|C<3>}	108.9327	0.258	3	108.9327	0.067	3	108.4891	0.708	39	108.7696	0.991	59	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:3:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-3:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCC)	C[5](C[5]C[5]H)(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]C[5]O){2|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CCC){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|C<3>,1|H<1>}	108.7060	0.000	1	108.7060	0.000	1	108.4891	0.708	39	108.7696	0.991	59	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:3:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-3:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCH)	C[5](C[5]C[5]C)(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]C[5]O){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CCH){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|H<1>}	108.1322	0.587	11	108.1322	0.345	11	108.4891	0.708	39	108.7696	0.991	59	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:3:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-3:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCH)	C[5](C[5]C[5]H)(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]C[5]O){2|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CCH){1|H<1>,1|O<1>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|C<3>,1|H<1>}	107.9250	0.136	2	107.9250	0.018	2	108.4891	0.708	39	108.7696	0.991	59	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:3:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-3:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CCH)	C[5](C[5]C[5]N)(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]C[5]O){1|H<1>,1|N<3>}	C[5](C[5]C[5]H)(O[5]C[5])(CCH){1|N<3>,1|O<1>}	C[5](C[5]C[5]N)(O[5]C[5])(O){1|C<3>,1|H<1>}	107.8720	0.000	1	107.8720	0.000	1	108.4891	0.708	39	108.7696	0.991	59	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:3:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-3:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]Si)(O[5]C[5])(CC[6a]H)	C[5](C[5]C[5]Si)(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]C[5]O){2|Si<4>}	C[5](C[5]C[5]Si)(O[5]C[5])(CC[6a]H){1|Si<4>,1|O<1>}	C[5](C[5]C[5]Si)(O[5]C[5])(O){1|Si<4>,1|C<3>}	107.7600	0.000	1	107.7600	0.000	1	108.4891	0.708	39	108.7696	0.991	59	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:3:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-3:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCH)	C[5](C[5]C[5]C)(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]C[5]O){1|C<2>,1|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCH){1|C<2>,1|O<1>,2|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(O){2|C<3>}	108.6350	0.000	1	108.6350	0.000	1	108.4891	0.708	39	108.7696	0.991	59	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:3:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-3:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CC[6a]H)	C[5](C[5]C[5]C)(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]C[5]O){2|C<3>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(CC[6a]H){1|O<1>,3|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(O){2|C<3>}	108.0750	0.000	1	108.0750	0.000	1	108.4891	0.708	39	108.7696	0.991	59	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:3:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-3:	N[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]N[5]O)(O[5]C[5])(CC[6a]2)	C[5](N[5]C[5]C)(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|O<1>}	C[5](C[5]N[5]O)(O[5]C[5])(CC[6a]2){1|C<4>,1|O<1>}	C[5](N[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|O<1>}	106.6360	0.000	1	106.6360	0.000	1	108.1297	0.726	6	108.7696	0.991	59	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:3:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-3:	N[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]N[5]O)(O[5]C[5])(CC[6a]H)	C[5](N[5]C[5]C)(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|O<1>}	C[5](C[5]N[5]O)(O[5]C[5])(CC[6a]H){1|C<4>,1|O<1>}	C[5](N[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|O<1>}	108.3208	0.490	4	108.3208	0.241	4	108.1297	0.726	6	108.7696	0.991	59	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:3:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-3:	N[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]N[5]O)(O[5]C[5])(CC[6a]H)	C[5](N[5]C[6a]C[5])(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]N[5]O){1|C<3>,1|O<1>}	C[5](C[5]N[5]O)(O[5]C[5])(CC[6a]H){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(O[5]C[5])(O){1|O<1>,3|C<3>}	108.8590	0.000	1	108.8590	0.000	1	108.1297	0.726	6	108.7696	0.991	59	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:3:	4:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-3:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(CCH)	C[5](C[5]C[5]CH)(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]C[5]O){1|H<1>,2|C<4>}	C[5](C[5]C[5]C)(O[5]C[5])(CCH){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<3>,1|C<4>}	110.7220	0.000	1	110.7220	0.000	1	110.7220	0.000	1	109.1980	4.645	2	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:3:	4:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:N-3:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5]N)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(NC[6a]H)	C[5](C[5]C[5]HH)(O[5]C[5])(O)	O[5](C[5]C[5]N)(C[5]C[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(NC[6a]H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(O){1|C<3>,1|N<3>}	107.6740	0.000	1	107.6740	0.000	1	107.6740	0.000	1	109.1980	4.645	2	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:4:	3:2:2:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-4:	N[5]-3:O[5]-2:O-2:	O[5](C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]N[5]H)(O[5]C[5])(CH3)	C[5](N[5]C[5]H)(O[5]C[5])(OB)	O[5](C[5]C[5]C)(C[5]N[5]O){2|H<1>}	C[5](C[5]N[5]H)(O[5]C[5])(CH3){1|H<1>,1|O<2>}	C[5](N[5]C[5]H)(O[5]C[5])(OB){1|C<4>,1|H<1>}	107.1740	0.000	1	107.1740	0.000	1	107.1740	0.000	1	105.9180	3.155	2	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:4:	3:2:2:	C[5]-3:C[5]-3:	N[5]-3:O[5]-2:C-4:	C[5]-3:O[5]-2:O-2:	O[5](C[5]C[5]O)(C[5]N[5]C)	C[5](N[5]C[5]Ag)(O[5]C[5])(CH3)	C[5](C[5]N[5]H)(O[5]C[5])(OC)	O[5](C[5]C[5]O)(C[5]N[5]C){1|Ag<3>,1|H<1>}	C[5](N[5]C[5]Ag)(O[5]C[5])(CH3){1|H<1>,1|O<2>}	C[5](C[5]N[5]H)(O[5]C[5])(OC){1|Ag<3>,1|C<4>}	104.6620	0.000	1	104.6620	0.000	1	104.6620	0.000	1	105.9180	3.155	2	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:4:	3:2:3:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-4:	N[5]-3:O[5]-2:C-3:	O[5](C[5]C[5]C)(C[5]N[5]C)	C[5](C[5]N[5]C)(O[5]C[5])(CH3)	C[5](N[5]C[5]Al)(O[5]C[5])(CCH)	O[5](C[5]C[5]C)(C[5]N[5]C){1|Al<6>,1|C<4>}	C[5](C[5]N[5]C)(O[5]C[5])(CH3){1|Al<6>,1|C<3>}	C[5](N[5]C[5]Al)(O[5]C[5])(CCH){2|C<4>}	105.5993	0.114	3	105.5993	0.013	3	105.7222	0.037	5	105.7222	0.037	5	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:4:	3:2:3:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-4:	N[5]-3:O[5]-2:C-3:	O[5](C[5]C[5]C)(C[5]N[5]C)	C[5](C[5]N[5]C)(O[5]C[5])(CH3)	C[5](N[5]C[5]Co)(O[5]C[5])(CCH)	O[5](C[5]C[5]C)(C[5]N[5]C){1|Co<4>,1|C<4>}	C[5](C[5]N[5]C)(O[5]C[5])(CH3){1|Co<4>,1|C<3>}	C[5](N[5]C[5]Co)(O[5]C[5])(CCH){2|C<4>}	105.9065	0.084	2	105.9065	0.007	2	105.7222	0.037	5	105.7222	0.037	5	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:4:	4:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-4:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)	C[5](C[5]C[6a]C[5]N)(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]C[5]O){1|N<3>,2|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(CH3){1|C<3>,1|N<3>,1|O<1>}	C[5](C[5]C[6a]C[5]N)(O[5]C[5])(O){1|C<4>,3|C<3>}	108.6760	0.000	1	108.6760	0.000	1	108.3187	0.125	3	108.3187	0.125	3	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:4:	4:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-4:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH)	C[5](C[5]C[5]CC)(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]C[5]O){1|H<1>,2|C<4>}	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH){1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(O[5]C[5])(O){1|C<4>,1|H<1>}	107.9680	0.000	1	107.9680	0.000	1	108.3187	0.125	3	108.3187	0.125	3	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:4:	4:2:1:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-4:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]H)(O[5]C[5])(CH3)	C[5](C[5]C[5]CH)(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]C[5]O){1|C<4>,2|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CH3){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<4>,1|H<1>}	108.3120	0.000	1	108.3120	0.000	1	108.3187	0.125	3	108.3187	0.125	3	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:2:4:	4:2:4:	C[5]-3:C[5]-3:	C[5]-3:O[5]-2:C-4:	C[5]-4:O[5]-2:C-4:	O[5](C[5]C[5]C)2	C[5](C[5]C[5]C[6])(O[5]C[5])(CH3)	C[5](C[5]C[5]RuH)(O[5]C[5])(CH3)	O[5](C[5]C[5]C)2{1|Ru<5>,1|C<3>,1|H<1>}	C[5](C[5]C[5]C[6])(O[5]C[5])(CH3){1|Ru<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5]RuH)(O[5]C[5])(CH3){1|C<3>,1|C<4>}	107.9130	0.000	1	107.9130	0.000	1	107.9130	0.000	1	107.9130	0.000	1	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	2:2:2:	C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:O[5]-2:	O[5]-2:S[5]-2:N-2:	O[5](C[5]C[6a]C[5])(C[5]S[5]N)	C[5](C[6a]C[6a]2)(C[5]S[5]C)(O[5]C[5])	C[5](O[5]C[5])(S[5]C[5])(NC)	O[5](C[5]C[6a]C[5])(C[5]S[5]N){3|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]C)(O[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	C[5](O[5]C[5])(S[5]C[5])(NC){2|C<3>}	113.5360	0.000	1	113.5360	0.000	1	113.4550	0.013	2	110.0947	33.882	3	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	2:2:2:	C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:O[5]-2:	O[5]-2:S[5]-2:N-2:	O[5](C[5]C[6a]C[5])(C[5]S[5]N)	C[5](C[6a]C[6a]2)(C[5]S[5]C)(O[5]C[5])	C[5](O[5]C[5])(S[5]C[5])(NC[6a])	O[5](C[5]C[6a]C[5])(C[5]S[5]N){1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]C)(O[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	C[5](O[5]C[5])(S[5]C[5])(NC[6a]){1|C<3>,1|C<4>}	113.3740	0.000	1	113.3740	0.000	1	113.4550	0.013	2	110.0947	33.882	3	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	2:2:2:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-3:O[5]-2:	N[5]-2:O[5]-2:S-2:	O[5](C[5]C[6a]N[5])(C[5]N[5]S)	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(O[5]C[5])	C[5](N[5]N[5])(O[5]C[5])(SC)	O[5](C[5]C[6a]N[5])(C[5]N[5]S){1|Cu<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Cu)(O[5]C[5]){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[5](N[5]N[5])(O[5]C[5])(SC){1|Cu<4>,1|C<3>}	103.3740	0.000	1	103.3740	0.000	1	103.3740	0.000	1	110.0947	33.882	3	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	2:2:3:	C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:O[5]-2:	O[5]-2:S[5]-2:C-3:	O[5](C[5]C[6a]C[5])(C[5]S[5]C)	C[5](C[6a]C[6a]2)(C[5]S[5]C)(O[5]C[5])	C[5](O[5]C[5])(S[5]C[5])(CCC)	O[5](C[5]C[6a]C[5])(C[5]S[5]C){1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]C)(O[5]C[5]){2|H<1>,3|C<3>}	C[5](O[5]C[5])(S[5]C[5])(CCC){1|C<3>,1|C<4>}	113.4740	0.000	1	113.4740	0.000	1	113.4740	0.000	1	113.4740	0.000	1	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	3:2:1:	C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O[5]-2:	C[5,6a]-3:O[5]-2:O-1:	O[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	O[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O){2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O[5]C[5]){1|H<1>,1|O<1>,2|O<2>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,3|C<3>}	110.2860	0.000	1	110.5455	0.135	2	110.5455	0.135	2	107.8658	2.845	20	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	3:2:1:	C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:O[5]-2:	C[5,6a]-3:O[5]-2:O-1:	O[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O)	O[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O[5]C[5]){1|H<1>,1|O<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(O){1|H<1>,3|C<3>}	110.8050	0.000	1	110.5455	0.135	2	110.5455	0.135	2	107.8658	2.845	20	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:C-3:O[5]-2:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]H)(CC[5,6]C)(O[5]C[5])	C[5](C[5]C[5]C)(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]C[5]O){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(CC[5,6]C)(O[5]C[5]){1|C<4>,1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|H<1>}	108.2540	0.000	1	108.2540	0.000	1	108.2540	0.000	1	107.8658	2.845	20	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:C[5]-3:O[5]-2:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]2)(C[5]C[5]O)	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[5]C)(O[5]C[5])(O)	O[5](C[5]C[5]2)(C[5]C[5]O){1|H<1>,3|C<4>}	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5]){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|H<1>}	107.7190	0.464	2	107.8445	0.109	4	107.8128	0.087	5	107.8658	2.845	20	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:C[5]-3:O[5]-2:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]2)(C[5]C[5]O)	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[5]C)(O[5]C[5])(O)	O[5](C[5]C[5]2)(C[5]C[5]O){1|H<1>,3|C<4>}	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|H<1>,5|C<4>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|H<1>}	107.9700	0.222	2	107.8445	0.109	4	107.8128	0.087	5	107.8658	2.845	20	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:C[5]-3:O[5]-2:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]2)(C[5]C[5]O)	C[5](C[5]C[5]O[5])(C[5]C[5]O)(O[5]C[5])	C[5](C[5]C[5]C)(O[5]C[5])(O)	O[5](C[5]C[5]2)(C[5]C[5]O){2|C<4>,2|O<2>}	C[5](C[5]C[5]O[5])(C[5]C[5]O)(O[5]C[5]){1|H<1>,1|O<1>,4|C<4>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|O<2>}	107.6860	0.000	1	107.6860	0.000	1	107.8128	0.087	5	107.8658	2.845	20	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:C[6]-3:O[5]-2:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]C[6])(C[5]C[5]O)	C[5](C[5]C[5]C)(C[6]C[6]2)(O[5]C[5])	C[5](C[5]C[5]H)(O[5]C[5])(O)	O[5](C[5]C[5]C[6])(C[5]C[5]O){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]C)(C[6]C[6]2)(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(O){1|C<3>,1|C<4>}	107.7130	0.000	1	107.7130	0.000	1	107.7130	0.000	1	107.8658	2.845	20	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	3:2:1:	C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[6a]C[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[5]N)(O[5]C[5])(O)	O[5](C[5]C[6a]C[5])(C[5]C[5]O){1|N<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]N)(O[5]C[5])(O){2|C<3>}	108.9340	0.000	1	108.9340	0.000	1	108.4124	0.694	8	107.8658	2.845	20	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	3:2:1:	C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[6a]C[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[5]P)(O[5]C[5])(O)	O[5](C[5]C[6a]C[5])(C[5]C[5]O){1|C<2>,1|P<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){1|O<1>,1|P<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]P)(O[5]C[5])(O){1|C<2>,1|C<3>}	109.1720	0.437	3	108.9580	0.311	4	108.4124	0.694	8	107.8658	2.845	20	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	3:2:1:	C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[6a]C[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])	C[5](C[5]C[5]P)(O[5]C[5])(O)	O[5](C[5]C[6a]C[5])(C[5]C[5]O){1|P<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5]){1|O<1>,1|P<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]P)(O[5]C[5])(O){2|C<3>}	108.3160	0.000	1	108.9580	0.311	4	108.4124	0.694	8	107.8658	2.845	20	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	3:2:1:	C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[6a]C[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[5]C)(O[5]C[5])(O)	O[5](C[5]C[6a]C[5])(C[5]C[5]O){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|C<3>,1|H<1>}	107.5110	0.112	3	107.5110	0.013	3	108.4124	0.694	8	107.8658	2.845	20	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	3:2:1:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:O[5]-2:H-1:	O[5](C[5]C[6a]N[5])(C[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[5](C[5]N[5]C)(O[5]C[5])(H)	O[5](C[5]C[6a]N[5])(C[5]C[5]H){1|Pd<4>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){2|H<1>,3|C<3>}	C[5](C[5]N[5]C)(O[5]C[5])(H){1|Pd<4>,1|C<3>}	104.8610	0.000	1	104.8610	0.000	1	104.6317	0.199	3	107.8658	2.845	20	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	3:2:1:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:O[5]-2:H-1:	O[5](C[5]C[6a]N[5])(C[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(O[5]C[5])	C[5](C[5]N[5]C)(O[5]C[5])(H)	O[5](C[5]C[6a]N[5])(C[5]C[5]H){1|Pt<4>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(O[5]C[5]){2|H<1>,3|C<3>}	C[5](C[5]N[5]C)(O[5]C[5])(H){1|Pt<4>,1|C<3>}	104.9170	0.000	1	104.9170	0.000	1	104.6317	0.199	3	107.8658	2.845	20	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	3:2:1:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:O[5]-2:H-1:	O[5](C[5]C[6a]N[5])(C[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(O[5]C[5])	C[5](C[5]N[5]H)(O[5]C[5])(H)	O[5](C[5]C[6a]N[5])(C[5]C[5]H){1|Pt<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(O[5]C[5]){2|C<3>,3|H<1>}	C[5](C[5]N[5]H)(O[5]C[5])(H){1|Pt<4>,1|C<3>}	104.1170	0.000	1	104.1170	0.000	1	104.6317	0.199	3	107.8658	2.845	20	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:O[5]-2:O-2:	O[5](C[5]C[6a]N[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5])	C[5](C[5]N[5]H)(O[5]C[5])(OC)	O[5](C[5]C[6a]N[5])(C[5]C[5]O){1|Pd<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pd)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(O[5]C[5])(OC){1|Pd<4>,1|C<3>}	104.5154	0.295	5	104.5154	0.087	5	104.4548	0.092	6	104.2189	0.550	19	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-3:O[5]-2:	C[5]-3:O[5]-2:O-2:	O[5](C[5]C[6a]N[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(O[5]C[5])	C[5](C[5]N[5]H)(O[5]C[5])(OC)	O[5](C[5]C[6a]N[5])(C[5]C[5]O){1|Pt<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(O[5]C[5]){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5]H)(O[5]C[5])(OC){1|Pt<4>,1|C<3>}	104.1520	0.000	1	104.1520	0.000	1	104.4548	0.092	6	104.2189	0.550	19	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-3:O[5]-2:	C[6a]-3:N[5]-2:O[5]-2:	O[5](C[5]C[6a]N[5])2	C[5](C[6a]C[6a]2)(N[5]N[5]H)(O[5]C[5])	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	O[5](C[5]C[6a]N[5])2{1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]H)(O[5]C[5]){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){3|C<3>,3|H<1>}	101.6320	0.000	1	101.6320	0.000	1	103.7030	1.014	7	104.2189	0.550	19	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-3:O[5]-2:	C[6a]-3:N[5]-2:O[5]-2:	O[5](C[5]C[6a]N[5])2	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(O[5]C[5])	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	O[5](C[5]C[6a]N[5])2{1|Ir<6>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Ir)(O[5]C[5]){1|H<1>,1|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Ir<6>,2|H<1>,3|C<3>}	104.0442	0.519	5	104.0442	0.269	5	103.7030	1.014	7	104.2189	0.550	19	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-3:O[5]-2:	C[6a]-3:N[5]-2:O[5]-2:	O[5](C[5]C[6a]N[5])2	C[5](C[6a]C[6a]2)(N[5]N[5]Pt)(O[5]C[5])	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5])	O[5](C[5]C[6a]N[5])2{1|Pt<4>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Pt)(O[5]C[5]){1|H<1>,1|O<2>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5])(O[5]C[5]){1|Pt<4>,2|H<1>,3|C<3>}	104.0680	0.000	1	104.0680	0.000	1	103.7030	1.014	7	104.2189	0.550	19	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-3:O[5]-2:	N[5]-3:O[5]-2:N-2:	O[5](C[5]C[6a]N[5])(C[5]N[5]N)	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(O[5]C[5])	C[5](N[5]N[5]Mn)(O[5]C[5])(NC)	O[5](C[5]C[6a]N[5])(C[5]N[5]N){2|Mn<6>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]Mn)(O[5]C[5]){1|Mn<6>,1|H<1>,1|N<2>,1|O<3>,2|C<3>}	C[5](N[5]N[5]Mn)(O[5]C[5])(NC){1|Mn<6>,1|C<3>}	104.5848	0.266	6	104.5848	0.071	6	104.5848	0.071	6	104.2189	0.550	19	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:O[5]-2:	C[6a]-3:N[5]-3:O[5]-2:	O[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]H)(O[5]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(O[5]C[5])	O[5](C[5]C[6a]C[5])(C[5]C[6a]N[5]){1|Cu<5>,1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(O[5]C[5]){1|Cu<5>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Cu)(O[5]C[5]){3|C<3>,3|H<1>}	105.4450	0.000	1	105.4450	0.000	1	106.8302	1.868	4	106.2752	3.054	9	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:O[5]-2:	C[6a]-3:N[5]-3:O[5]-2:	O[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]H)(O[5]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5])	O[5](C[5]C[6a]C[5])(C[5]C[6a]N[5]){1|Zn<4>,1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(O[5]C[5]){1|Zn<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Zn)(O[5]C[5]){1|O<2>,2|H<1>,3|C<3>}	107.5290	1.646	2	107.5290	2.710	2	106.8302	1.868	4	106.2752	3.054	9	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:O[5]-2:	C[6a]-3:N[5]-3:O[5]-2:	O[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])	C[5](C[6a]C[6a]2)(C[5]N[5]Rh)(O[5]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])	O[5](C[5]C[6a]C[5])(C[5]C[6a]N[5]){1|Rh<4>,1|C<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]Rh)(O[5]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5]){1|Rh<4>,2|H<1>,3|C<3>}	106.8180	0.000	1	106.8180	0.000	1	106.8302	1.868	4	106.2752	3.054	9	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:	C[6a]-3:N[5]-3:O[5]-2:	C[6a]-3:N[5]-3:O[5]-2:	O[5](C[5]C[6a]N[5])2	C[5](C[6a]C[6a]2)(N[5]N[5]H)(O[5]C[5])	C[5](C[6a]C[6a]2)(N[5]N[5]H)(O[5]C[5])	O[5](C[5]C[6a]N[5])2{2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]N[5]H)(O[5]C[5]){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(N[5]N[5]H)(O[5]C[5]){3|C<3>,3|H<1>}	104.4280	0.662	3	104.4280	0.438	3	104.4280	0.438	3	106.2752	3.054	9	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:	N[5]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[5]-3:O[5]-2:	O[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])	C[5](C[6a]C[6a]2)(C[5]N[5]H)(O[5]C[5])	O[5](C[5]C[6a]C[5])(C[5]C[6a]N[5]){1|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5]){3|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]H)(O[5]C[5]){2|H<1>,4|C<3>}	108.6320	0.000	1	108.6320	0.000	1	107.9360	0.969	2	106.2752	3.054	9	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:	N[5]-3:C[6a]-3:O[5]-2:	C[6a]-3:C[5]-3:O[5]-2:	O[5](C[5]C[6a]C[5])(C[5]C[6a]N[5])	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])	C[5](C[6a]C[6a]2)(C[5]N[5]Rh)(O[5]C[5])	O[5](C[5]C[6a]C[5])(C[5]C[6a]N[5]){1|Rh<6>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5]){1|Rh<6>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]Rh)(O[5]C[5]){2|H<1>,4|C<3>}	107.2400	0.000	1	107.2400	0.000	1	107.9360	0.969	2	106.2752	3.054	9	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	4:2:1:	C[5]-3:C[5]-3:	C[5]-3:C[5a]-3:O[5]-2:	C[5,6]-4:O[5]-2:O-1:	O[5](C[5]C[5a]C[5])(C[5]C[5,6]O)	C[5](C[5]C[5,6]H)(C[5a]C[5a]2)(O[5]C[5])	C[5](C[5,6]C[6,6]C[5]C[6])(O[5]C[5])(O)	O[5](C[5]C[5a]C[5])(C[5]C[5,6]O){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6]H)(C[5a]C[5a]2)(O[5]C[5]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,6]C[6,6]C[5]C[6])(O[5]C[5])(O){2|C<3>,3|C<4>,3|H<1>}	107.5000	0.000	1	107.5000	0.000	1	107.5000	0.000	1	107.8443	0.777	7	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	4:2:1:	C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:O[5]-2:	C[3,5]-4:O[5]-2:O-1:	O[5](C[5]C[6a]C[5])(C[5]C[3,5]O)	C[5](C[5]C[3,5]C[6a])(C[6a]C[6a]2)(O[5]C[5])	C[5](C[3,5]C[3]2C[5])(O[5]C[5])(O)	O[5](C[5]C[6a]C[5])(C[5]C[3,5]O){2|C<4>,3|C<3>}	C[5](C[5]C[3,5]C[6a])(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[3,5]C[3]2C[5])(O[5]C[5])(O){2|C<3>,4|H<1>}	108.2120	0.000	1	108.2120	0.000	1	108.2120	0.000	1	107.8443	0.777	7	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	4:2:1:	C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:O[5]-2:	C[5,5]-4:O[5]-2:O-1:	O[5](C[5]C[6a]C[5])(C[5]C[5,5]O)	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5,5]C[5,6]C[5]2)(O[5]C[5])(O)	O[5](C[5]C[6a]C[5])(C[5]C[5,5]O){1|C<4>,4|C<3>}	C[5](C[5]C[5,5]C)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6]C[5]2)(O[5]C[5])(O){1|C<4>,2|H<1>,4|C<3>}	107.9130	0.000	1	107.9130	0.000	1	108.4380	0.805	3	107.8443	0.777	7	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	4:2:1:	C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:O[5]-2:	C[5,5]-4:O[5]-2:O-1:	O[5](C[5]C[6a]C[5])(C[5]C[5,5]O)	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(O)	O[5](C[5]C[6a]C[5])(C[5]C[5,5]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[5,5]H)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5]2N[5])(O[5]C[5])(O){1|N<2>,2|H<1>,4|C<3>}	107.9270	0.000	1	107.9270	0.000	1	108.4380	0.805	3	107.8443	0.777	7	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	4:2:1:	C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:O[5]-2:	C[5,5]-4:O[5]-2:O-1:	O[5](C[5]C[6a]C[5])(C[5]C[5,5]O)	C[5](C[5]C[5,5]Se)(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5,5]C[5]3)(O[5]C[5])(O)	O[5](C[5]C[6a]C[5])(C[5]C[5,5]O){1|Se<2>,1|C<4>,3|C<3>}	C[5](C[5]C[5,5]Se)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]3)(O[5]C[5])(O){1|Se<2>,1|O<1>,2|H<1>,3|C<3>}	109.4740	0.000	1	109.4740	0.000	1	108.4380	0.805	3	107.8443	0.777	7	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	4:2:1:	C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[6a]C[5])(C[5]C[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[5]CC)(O[5]C[5])(O)	O[5](C[5]C[6a]C[5])(C[5]C[5]O){1|C<4>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5]CC)(O[5]C[5])(O){1|C<3>,1|H<1>}	106.9420	0.332	2	106.9420	0.110	2	106.9420	0.110	2	107.8443	0.777	7	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	4:2:2:	C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:O[5]-2:	C[5,6]-4:O[5]-2:N-2:	O[5](C[5]C[6a]C[5])(C[5]C[5,6]N)	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(NC[6a])	O[5](C[5]C[6a]C[5])(C[5]C[5,6]N){2|C<3>,3|C<4>}	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5]){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(NC[6a]){2|C<3>,2|C<4>,4|H<1>}	107.4905	0.040	2	107.4905	0.002	2	107.5692	0.010	4	107.5664	0.007	5	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	4:2:2:	C[5]-3:C[5]-3:	C[5]-3:C[6a]-3:O[5]-2:	C[5,6]-4:O[5]-2:N-2:	O[5](C[5]C[6a]C[5])(C[5]C[5,6]N)	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5])	C[5](C[5,6]C[5]C[6]N[6])(O[5]C[5])(NC[6a])	O[5](C[5]C[6a]C[5])(C[5]C[5,6]N){1|N<3>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6]C)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5]C[6]N[6])(O[5]C[5])(NC[6a]){2|C<4>,2|H<1>,3|C<3>}	107.6480	0.047	2	107.6480	0.002	2	107.5692	0.010	4	107.5664	0.007	5	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:3:2:	4:2:2:	C[5]-3:C[5]-3:	C[6a]-3:C[5]-3:O[5]-2:	C[5]-4:O[5]-2:N-2:	O[5](C[5]C[6a]C[5])(C[5]C[5]N)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])	C[5](C[5]C[6a]2C[5])(O[5]C[5])(NC)	O[5](C[5]C[6a]C[5])(C[5]C[5]N){1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5]){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]2C[5])(O[5]C[5])(NC){1|H<1>,5|C<3>}	107.5550	0.000	1	107.5550	0.000	1	107.5550	0.000	1	107.5664	0.007	5	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:4:2:	3:2:1:	C[5]-3:C[5]-3:	C[5]-3:C-4:O[5]-2:	N[5]-3:O[5]-2:S-1:	O[5](C[5]C[5]C)(C[5]N[5]S)	C[5](C[5]N[5]C)(CC[6a]CH)(O[5]C[5])	C[5](N[5]C[5]H)(O[5]C[5])(S)	O[5](C[5]C[5]C)(C[5]N[5]S){1|C<4>,1|H<1>}	C[5](C[5]N[5]C)(CC[6a]CH)(O[5]C[5]){1|H<1>,1|S<1>}	C[5](N[5]C[5]H)(O[5]C[5])(S){2|C<4>}	108.2105	0.240	2	108.2105	0.057	2	108.2105	0.057	2	108.2105	0.057	2	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:4:2:	4:2:1:	C[5]-3:C[5]-3:	C-3:C[5]-4:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]C[5]O)	C[5](CC[5a]C[6a])(C[5]C[5]HH)(O[5]C[5])	C[5](C[5]C[5]CC)(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]C[5]O){2|C<4>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(O[5]C[5])(O){1|C<3>,2|H<1>}	109.3340	0.000	1	109.3340	0.000	1	109.3340	0.000	1	109.3340	0.000	1	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	3:4:2:	4:2:3:	C[5]-3:C[5]-3:	C[5]-3:C-4:O[5]-2:	C[5]-4:O[5]-2:C-3:	O[5](C[5]C[5]C)2	C[5](C[5]C[6a]C[5])(CC[6a]2H)(O[5]C[5])	C[5](C[5]C[5]CC)(O[5]C[5])(CHH)	O[5](C[5]C[5]C)2{1|C<4>,2|C<3>}	C[5](C[5]C[6a]C[5])(CC[6a]2H)(O[5]C[5]){1|C<4>,4|C<3>}	C[5](C[5]C[5]CC)(O[5]C[5])(CHH){1|C<3>,1|C<4>}	107.3280	0.000	1	107.3280	0.000	1	107.3280	0.000	1	107.3280	0.000	1	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	2:2:2:	C[5]-3:C[5]-3:	C[5,6]-4:O[5]-2:O-1:	N[5]-2:O[5]-2:O-2:	O[5](C[5]C[5,6]O)(C[5]N[5]O)	C[5](C[5,6]C[6]2N[5])(O[5]C[5])(O)	C[5](N[5]C[5,6])(O[5]C[5])(OC)	O[5](C[5]C[5,6]O)(C[5]N[5]O){2|C<4>}	C[5](C[5,6]C[6]2N[5])(O[5]C[5])(O){1|O<2>,2|C<4>,4|H<1>}	C[5](N[5]C[5,6])(O[5]C[5])(OC){1|O<1>,2|C<4>}	104.3305	0.279	2	104.3305	0.078	2	104.3305	0.078	2	104.3305	0.078	2	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	2:2:4:	C[5]-3:C[5]-3:	C[5]-4:O[5]-2:O-1:	N[5]-2:O[5]-2:C-4:	O[5](C[5]C[5]O)(C[5]N[5]C)	C[5](C[5]C[5]N[5]C)(O[5]C[5])(O)	C[5](N[5]C[5])(O[5]C[5])(CC3)	O[5](C[5]C[5]O)(C[5]N[5]C){2|C<4>}	C[5](C[5]C[5]N[5]C)(O[5]C[5])(O){1|C<4>,1|N<3>,2|C<3>}	C[5](N[5]C[5])(O[5]C[5])(CC3){1|O<1>,2|C<4>}	105.9950	0.000	1	105.9950	0.000	1	105.9950	0.000	1	105.9950	0.000	1	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	3:2:1:	C[5]-3:C[5]-3:	C[5,5]-4:O[5]-2:O-1:	C[5]-3:O[5]-2:H-1:	O[5](C[5]C[5,5]O)(C[5]C[5]H)	C[5](C[5,5]C[5,6]C[5]2)(O[5]C[5])(O)	C[5](C[5]C[5,5]H)(O[5]C[5])(H)	O[5](C[5]C[5,5]O)(C[5]C[5]H){1|H<1>,2|C<4>}	C[5](C[5,5]C[5,6]C[5]2)(O[5]C[5])(O){1|C<2>,1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[5]C[5,5]H)(O[5]C[5])(H){1|O<1>,2|C<4>}	107.2010	0.173	2	107.2010	0.030	2	107.2010	0.030	2	108.9843	1.885	7	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	3:2:1:	C[5]-3:C[5]-3:	C[5]-4:O[5]-2:H-1:	C[5]-3:O[5]-2:H-1:	O[5](C[5]C[5]H)2	C[5](C[5]C[5]HH)(O[5]C[5])(H)	C[5](C[5]C[5]H)(O[5]C[5])(H)	O[5](C[5]C[5]H)2{3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(H){2|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(H){3|H<1>}	108.4950	0.000	1	108.4950	0.000	1	108.4950	0.000	1	108.9843	1.885	7	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	3:2:1:	C[5]-3:C[5]-3:	C[5]-4:O[5]-2:H-1:	N[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]N[5]CH)(O[5]C[5])(H)	C[5](N[5]C[5]C)(O[5]C[5])(O)	O[5](C[5]C[5]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(O[5]C[5])(H){1|C<3>,1|O<1>}	C[5](N[5]C[5]C)(O[5]C[5])(O){1|C<4>,2|H<1>}	109.7130	0.000	1	109.7130	0.000	1	109.7823	0.004	3	108.9843	1.885	7	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	3:2:1:	C[5]-3:C[5]-3:	C[5]-4:O[5]-2:H-1:	N[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]H)(C[5]N[5]O)	C[5](C[5]N[5]HH)(O[5]C[5])(H)	C[5](N[5]C[5]C)(O[5]C[5])(O)	O[5](C[5]C[5]H)(C[5]N[5]O){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>}	C[5](N[5]C[5]C)(O[5]C[5])(O){3|H<1>}	109.8170	0.000	2	109.8170	0.000	2	109.7823	0.004	3	108.9843	1.885	7	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	3:2:1:	C[5]-3:C[5]-3:	C[5]-4:O[5]-2:O-1:	C[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]O)2	C[5](C[5]C[5]HH)(O[5]C[5])(O)	C[5](C[5]C[5]C)(O[5]C[5])(O)	O[5](C[5]C[5]O)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(O){1|C<3>,1|O<1>}	C[5](C[5]C[5]C)(O[5]C[5])(O){1|O<1>,2|H<1>}	110.6460	0.000	1	110.6460	0.000	1	110.6460	0.000	1	108.9843	1.885	7	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	3:2:2:	C[5]-3:C[5]-3:	C[5,5]-4:O[5]-2:O-1:	C[6a]-3:N[5]-2:O[5]-2:	O[5](C[5]C[6a]N[5])(C[5]C[5,5]O)	C[5](C[5,5]C[5,5]C[5]N[5])(O[5]C[5])(O)	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5])	O[5](C[5]C[6a]N[5])(C[5]C[5,5]O){2|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]N[5])(O[5]C[5])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5,5])(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	105.6820	0.322	2	105.6820	0.104	2	105.6820	0.104	2	105.6820	0.104	2	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[3x5,6,6]-4:O[5]-2:O-1:	C[3x5,6,6]-4:O[5]-2:O-1:	O[5](C[5]C[3x5,6,6]O)2	C[5](C[3x5,6,6]C[3x5,6,6]C[3,5,6]C[5,5,6])(O[5]C[5])(O)	C[5](C[3x5,6,6]C[3x5,6,6]C[3,5,6]C[5,5,6])(O[5]C[5])(O)	O[5](C[5]C[3x5,6,6]O)2{4|C<4>}	C[5](C[3x5,6,6]C[3x5,6,6]C[3,5,6]C[5,5,6])(O[5]C[5])(O){1|B<5>,1|H<1>,1|O<1>,6|C<4>}	C[5](C[3x5,6,6]C[3x5,6,6]C[3,5,6]C[5,5,6])(O[5]C[5])(O){1|B<5>,1|H<1>,1|O<1>,6|C<4>}	110.7300	0.000	1	110.7300	0.000	1	110.8784	0.047	5	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[3x5,6,6]-4:O[5]-2:O-1:	C[3x5,6,6]-4:O[5]-2:O-1:	O[5](C[5]C[3x5,6,6]O)2	C[5](C[3x5,6,6]C[3x5,6,6]C[5,5,6]2)(O[5]C[5])(O)	C[5](C[3x5,6,6]C[3x5,6,6]C[5,5,6]2)(O[5]C[5])(O)	O[5](C[5]C[3x5,6,6]O)2{4|C<4>}	C[5](C[3x5,6,6]C[3x5,6,6]C[5,5,6]2)(O[5]C[5])(O){1|B<3>,1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[5](C[3x5,6,6]C[3x5,6,6]C[5,5,6]2)(O[5]C[5])(O){1|B<3>,1|C<3>,1|H<1>,1|O<1>,5|C<4>}	110.7730	0.000	1	110.9155	0.053	4	110.8784	0.047	5	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[3x5,6,6]-4:O[5]-2:O-1:	C[3x5,6,6]-4:O[5]-2:O-1:	O[5](C[5]C[3x5,6,6]O)2	C[5](C[3x5,6,6]C[3x5,6,6]C[5,5,6]2)(O[5]C[5])(O)	C[5](C[3x5,6,6]C[3x5,6,6]C[5,5,6]2)(O[5]C[5])(O)	O[5](C[5]C[3x5,6,6]O)2{4|C<4>}	C[5](C[3x5,6,6]C[3x5,6,6]C[5,5,6]2)(O[5]C[5])(O){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[5](C[3x5,6,6]C[3x5,6,6]C[5,5,6]2)(O[5]C[5])(O){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	110.9380	0.359	2	110.9155	0.053	4	110.8784	0.047	5	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[3x5,6,6]-4:O[5]-2:O-1:	C[3x5,6,6]-4:O[5]-2:O-1:	O[5](C[5]C[3x5,6,6]O)2	C[5](C[3x5,6,6]C[3x5,6,6]C[5,5,6]2)(O[5]C[5])(O)	C[5](C[3x5,6,6]C[3x5,6,6]C[5,5,6]2)(O[5]C[5])(O)	O[5](C[5]C[3x5,6,6]O)2{4|C<4>}	C[5](C[3x5,6,6]C[3x5,6,6]C[5,5,6]2)(O[5]C[5])(O){1|O<1>,2|H<1>,6|C<4>}	C[5](C[3x5,6,6]C[3x5,6,6]C[5,5,6]2)(O[5]C[5])(O){1|O<1>,2|H<1>,6|C<4>}	111.0130	0.000	1	110.9155	0.053	4	110.8784	0.047	5	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,4x6]-4:O[5]-2:O-1:	C[5,4x6]-4:O[5]-2:O-1:	O[5](C[5]C[5,4x6]O)2	C[5](C[5,4x6]C[5,4x6]C[3x6]2)(O[5]C[5])(O)	C[5](C[5,4x6]C[5,4x6]C[3x6]2)(O[5]C[5])(O)	O[5](C[5]C[5,4x6]O)2{4|C<4>}	C[5](C[5,4x6]C[5,4x6]C[3x6]2)(O[5]C[5])(O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5,4x6]C[5,4x6]C[3x6]2)(O[5]C[5])(O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	110.7808	0.165	5	110.7808	0.027	5	110.7808	0.027	5	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,5,3x6]-4:O[5]-2:O-1:	C[5,5,3x6]-4:O[5]-2:O-1:	O[5](C[5]C[5,5,3x6]O)2	C[5](C[5,5,3x6]C[5,5,3x6]C[5,5,6]C[3x6])(O[5]C[5])(O)	C[5](C[5,5,3x6]C[5,5,3x6]C[5,5,6]C[3x6])(O[5]C[5])(O)	O[5](C[5]C[5,5,3x6]O)2{4|C<4>}	C[5](C[5,5,3x6]C[5,5,3x6]C[5,5,6]C[3x6])(O[5]C[5])(O){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,5,3x6]C[5,5,3x6]C[5,5,6]C[3x6])(O[5]C[5])(O){1|O<1>,2|C<3>,2|H<1>,4|C<4>}	110.7420	0.000	1	110.7420	0.000	1	110.7420	0.000	1	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,5,6,6]-4:O[5]-2:O-1:	C[5,5,6,6]-4:O[5]-2:O-1:	O[5](C[5]C[5,5,6,6]O)2	C[5](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6])(O[5]C[5])(O)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6])(O[5]C[5])(O)	O[5](C[5]C[5,5,6,6]O)2{4|C<4>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6])(O[5]C[5])(O){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6])(O[5]C[5])(O){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	110.3910	0.000	1	110.3910	0.000	1	110.3910	0.000	1	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6]-4:O[5]-2:O-1:	O[5](C[5]C[5,5,6]O)2	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(O[5]C[5])(O)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(O)	O[5](C[5]C[5,5,6]O)2{2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(O[5]C[5])(O){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	110.6390	0.000	1	110.6390	0.000	1	110.7825	0.148	17	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6]-4:O[5]-2:O-1:	O[5](C[5]C[5,5,6]O)2	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(O)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(O)	O[5](C[5]C[5,5,6]O)2{2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	110.4850	0.000	1	110.7915	0.156	16	110.7825	0.148	17	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6]-4:O[5]-2:O-1:	O[5](C[5]C[5,5,6]O)2	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(O)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(O)	O[5](C[5]C[5,5,6]O)2{2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	110.5090	0.209	2	110.7915	0.156	16	110.7825	0.148	17	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6]-4:O[5]-2:O-1:	O[5](C[5]C[5,5,6]O)2	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(O)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(O)	O[5](C[5]C[5,5,6]O)2{2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	110.7603	0.253	3	110.7915	0.156	16	110.7825	0.148	17	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6]-4:O[5]-2:O-1:	O[5](C[5]C[5,5,6]O)2	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(O)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(O)	O[5](C[5]C[5,5,6]O)2{2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	110.8060	0.011	2	110.7915	0.156	16	110.7825	0.148	17	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6]-4:O[5]-2:O-1:	O[5](C[5]C[5,5,6]O)2	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(O)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(O)	O[5](C[5]C[5,5,6]O)2{2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	110.4777	0.252	3	110.7915	0.156	16	110.7825	0.148	17	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6]-4:O[5]-2:O-1:	O[5](C[5]C[5,5,6]O)2	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(O)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(O)	O[5](C[5]C[5,5,6]O)2{2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(O){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,5,6]C[5,5,6]2H)(O[5]C[5])(O){1|O<1>,2|H<1>,3|C<4>}	111.1670	0.445	5	110.7915	0.156	16	110.7825	0.148	17	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:O[5]-2:O-1:	O[5](C[5]C[5,5]O)2	C[5](C[5,5]C[5,5]2C)(O[5]C[5])(O)	C[5](C[5,5]C[5,5]N[5]C)(O[5]C[5])(O)	O[5](C[5]C[5,5]O)2{1|C<3>,1|N<3>,2|C<4>}	C[5](C[5,5]C[5,5]2C)(O[5]C[5])(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5,5]C[5,5]N[5]C)(O[5]C[5])(O){1|C<3>,1|O<1>,3|C<4>}	110.5280	0.000	1	110.5280	0.000	1	110.9904	0.152	5	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:O[5]-2:O-1:	O[5](C[5]C[5,5]O)2	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(O)	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(O)	O[5](C[5]C[5,5]O)2{2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(O[5]C[5])(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	110.7770	0.000	1	110.7770	0.000	1	110.9904	0.152	5	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:O[5]-2:O-1:	O[5](C[5]C[5,5]O)2	C[5](C[5,5]C[5,5]C[5]Ru)(O[5]C[5])(O)	C[5](C[5,5]C[5,5]C[5]Ru)(O[5]C[5])(O)	O[5](C[5]C[5,5]O)2{1|Ru<10>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Ru)(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Ru)(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<4>}	111.3885	0.136	2	111.3885	0.019	2	110.9904	0.152	5	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,5]-4:O[5]-2:O-1:	C[5,5]-4:O[5]-2:O-1:	O[5](C[5]C[5,5]O)2	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(O)	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(O)	O[5](C[5]C[5,5]O)2{2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	110.8700	0.000	1	110.8700	0.000	1	110.9904	0.152	5	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,5]-4:O[5]-2:O-1:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5,5]O)(C[5]C[5]O)	C[5](C[5,5]C[5]3)(O[5]C[5])(O)	C[5](C[5]C[5,5]HH)(O[5]C[5])(O)	O[5](C[5]C[5,5]O)(C[5]C[5]O){2|C<4>,2|H<1>}	C[5](C[5,5]C[5]3)(O[5]C[5])(O){1|O<1>,4|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(O[5]C[5])(O){1|O<1>,2|C<4>}	110.9140	0.000	1	110.9140	0.000	1	110.9140	0.000	1	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6]-4:O[5]-2:O-1:	O[5](C[5]C[5,6,6]O)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O)	O[5](C[5]C[5,6,6]O)2{2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	110.7080	0.000	1	110.7426	0.090	19	110.7647	0.092	21	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6]-4:O[5]-2:O-1:	O[5](C[5]C[5,6,6]O)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O)	O[5](C[5]C[5,6,6]O)2{2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	110.5045	0.073	2	110.7426	0.090	19	110.7647	0.092	21	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6]-4:O[5]-2:O-1:	O[5](C[5]C[5,6,6]O)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O)	O[5](C[5]C[5,6,6]O)2{2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	110.5852	0.183	6	110.7426	0.090	19	110.7647	0.092	21	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6]-4:O[5]-2:O-1:	O[5](C[5]C[5,6,6]O)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O)	O[5](C[5]C[5,6,6]O)2{2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<1>,1|P<2>,2|C<3>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	111.1750	0.000	1	110.7426	0.090	19	110.7647	0.092	21	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6]-4:O[5]-2:O-1:	O[5](C[5]C[5,6,6]O)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O)	O[5](C[5]C[5,6,6]O)2{2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	110.8335	0.272	4	110.7426	0.090	19	110.7647	0.092	21	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6]-4:O[5]-2:O-1:	O[5](C[5]C[5,6,6]O)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O)	O[5](C[5]C[5,6,6]O)2{2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	111.2840	0.000	2	110.7426	0.090	19	110.7647	0.092	21	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6]-4:O[5]-2:O-1:	O[5](C[5]C[5,6,6]O)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O)	O[5](C[5]C[5,6,6]O)2{2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O){1|O<1>,2|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O){1|O<1>,2|H<1>,3|C<4>}	110.6013	0.229	3	110.7426	0.090	19	110.7647	0.092	21	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,6,6]-4:O[5]-2:O-1:	C[5,6,6]-4:O[5]-2:O-1:	O[5](C[5]C[5,6,6]O)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O)	C[5](C[5,6,6]C[5,6,6]C[4x6]H)(O[5]C[5])(O)	O[5](C[5]C[5,6,6]O)2{2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[4x6]H)(O[5]C[5])(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	110.9745	0.336	2	110.9745	0.113	2	110.7647	0.092	21	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:O[5]-2:O-1:	O[5](C[5]C[5,6]O)2	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(O)	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(O)	O[5](C[5]C[5,6]O)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	110.7360	0.000	1	110.7360	0.000	1	110.5134	0.122	27	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:O[5]-2:O-1:	O[5](C[5]C[5,6]O)2	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	O[5](C[5]C[5,6]O)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	110.7293	0.322	3	110.7293	0.104	3	110.5134	0.122	27	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:O[5]-2:O-1:	O[5](C[5]C[5,6]O)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	O[5](C[5]C[5,6]O)2{1|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	110.3510	0.000	1	110.3510	0.000	1	110.5134	0.122	27	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:O[5]-2:O-1:	O[5](C[5]C[5,6]O)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(O)	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(O)	O[5](C[5]C[5,6]O)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(O){1|C<4>,1|O<1>,3|C<3>}	110.4750	0.000	1	110.4750	0.000	1	110.5134	0.122	27	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:O[5]-2:O-1:	O[5](C[5]C[5,6]O)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(O)	O[5](C[5]C[5,6]O)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]2H)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	110.9175	0.588	2	110.9175	0.345	2	110.5134	0.122	27	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:O[5]-2:O-1:	O[5](C[5]C[5,6]O)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	O[5](C[5]C[5,6]O)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|O<1>,2|H<1>,3|C<3>}	110.4200	0.000	1	110.4284	0.102	16	110.5134	0.122	27	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:O[5]-2:O-1:	O[5](C[5]C[5,6]O)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	O[5](C[5]C[5,6]O)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	110.3270	0.086	2	110.4284	0.102	16	110.5134	0.122	27	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:O[5]-2:O-1:	O[5](C[5]C[5,6]O)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	O[5](C[5]C[5,6]O)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	110.2713	0.125	4	110.4284	0.102	16	110.5134	0.122	27	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:O[5]-2:O-1:	O[5](C[5]C[5,6]O)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	O[5](C[5]C[5,6]O)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	110.3920	0.000	1	110.4284	0.102	16	110.5134	0.122	27	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:O[5]-2:O-1:	O[5](C[5]C[5,6]O)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	O[5](C[5]C[5,6]O)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	109.8910	0.000	1	110.4284	0.102	16	110.5134	0.122	27	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:O[5]-2:O-1:	O[5](C[5]C[5,6]O)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	O[5](C[5]C[5,6]O)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	110.3370	0.119	2	110.4284	0.102	16	110.5134	0.122	27	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:O[5]-2:O-1:	O[5](C[5]C[5,6]O)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	O[5](C[5]C[5,6]O)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	111.0210	0.000	1	110.4284	0.102	16	110.5134	0.122	27	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:O[5]-2:O-1:	O[5](C[5]C[5,6]O)2	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	O[5](C[5]C[5,6]O)2{2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|O<1>,2|C<4>,3|H<1>}	110.6795	0.379	4	110.4284	0.102	16	110.5134	0.122	27	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:O[5]-2:O-1:	O[5](C[5]C[5,6]O)2	C[5](C[5,6]C[5,6]C[6a]C[6])(O[5]C[5])(O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	O[5](C[5]C[5,6]O)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6a]C[6])(O[5]C[5])(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	109.9500	0.000	1	109.9500	0.000	1	110.5134	0.122	27	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5,6]-4:O[5]-2:O-1:	C[5,6]-4:O[5]-2:O-1:	O[5](C[5]C[5,6]O)2	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(O)	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O)	O[5](C[5]C[5,6]O)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	110.7365	0.056	2	110.7365	0.003	2	110.5134	0.122	27	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5]-4:O[5]-2:O-1:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5]O)2	C[5](C[5]C[5]C[6]H)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(O[5]C[5])(O)	O[5](C[5]C[5]O)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]C[6]H)(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<1>}	110.7260	0.113	2	110.7260	0.013	2	109.1313	0.884	27	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5]-4:O[5]-2:O-1:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5]O)2	C[5](C[5]C[5]CoH)(O[5]C[5])(O)	C[5](C[5]C[5]CoH)(O[5]C[5])(O)	O[5](C[5]C[5]O)2{1|Co<8>,2|H<1>}	C[5](C[5]C[5]CoH)(O[5]C[5])(O){1|H<1>,1|O<1>}	C[5](C[5]C[5]CoH)(O[5]C[5])(O){1|H<1>,1|O<1>}	109.0467	0.243	3	109.0467	0.059	3	109.1313	0.884	27	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5]-4:O[5]-2:O-1:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5]O)2	C[5](C[5]C[5]FeH)(O[5]C[5])(O)	C[5](C[5]C[5]FeH)(O[5]C[5])(O)	O[5](C[5]C[5]O)2{1|Fe<6>,2|H<1>}	C[5](C[5]C[5]FeH)(O[5]C[5])(O){1|H<1>,1|O<1>}	C[5](C[5]C[5]FeH)(O[5]C[5])(O){1|H<1>,1|O<1>}	108.3580	0.000	1	108.3580	0.000	1	109.1313	0.884	27	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5]-4:O[5]-2:O-1:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5]O)2	C[5](C[5]C[5]HO)(O[5]C[5])(O)	C[5](C[5]C[5]HO)(O[5]C[5])(O)	O[5](C[5]C[5]O)2{2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(O){1|H<1>,1|O<1>,1|O<2>}	C[5](C[5]C[5]HO)(O[5]C[5])(O){1|H<1>,1|O<1>,1|O<2>}	110.2210	0.000	1	110.2210	0.000	1	109.1313	0.884	27	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5]-4:O[5]-2:O-1:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5]O)2	C[5](C[5]C[5]HS)(O[5]C[5])(O)	C[5](C[5]C[5]HS)(O[5]C[5])(O)	O[5](C[5]C[5]O)2{2|H<1>,2|S<2>}	C[5](C[5]C[5]HS)(O[5]C[5])(O){1|H<1>,1|O<1>,1|S<2>}	C[5](C[5]C[5]HS)(O[5]C[5])(O){1|H<1>,1|O<1>,1|S<2>}	109.9320	0.105	2	109.9320	0.011	2	109.1313	0.884	27	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5]-4:O[5]-2:O-1:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5]O)2	C[5](C[5]C[5]N[5]H)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(O[5]C[5])(O)	O[5](C[5]C[5]O)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]N[5]H)(O[5]C[5])(O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(O){1|H<1>,1|N<3>,1|O<1>}	111.0250	0.000	1	111.0250	0.000	1	109.1313	0.884	27	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5]-4:O[5]-2:O-1:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5]O)2	C[5](C[5]C[5]PdH)(O[5]C[5])(O)	C[5](C[5]C[5]PdH)(O[5]C[5])(O)	O[5](C[5]C[5]O)2{1|Pd<4>,2|H<1>}	C[5](C[5]C[5]PdH)(O[5]C[5])(O){1|H<1>,1|O<1>}	C[5](C[5]C[5]PdH)(O[5]C[5])(O){1|H<1>,1|O<1>}	108.6303	0.431	10	108.6253	0.142	15	109.1313	0.884	27	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5]-4:O[5]-2:O-1:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5]O)2	C[5](C[5]C[5]PdH)(O[5]C[5])(O)	C[5](C[5]C[5]PdH)(O[5]C[5])(O)	O[5](C[5]C[5]O)2{1|Pd<5>,2|H<1>}	C[5](C[5]C[5]PdH)(O[5]C[5])(O){1|H<1>,1|O<1>}	C[5](C[5]C[5]PdH)(O[5]C[5])(O){1|H<1>,1|O<1>}	108.6152	0.277	5	108.6253	0.142	15	109.1313	0.884	27	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5]-4:O[5]-2:O-1:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5]O)2	C[5](C[5]C[5]PtH)(O[5]C[5])(O)	C[5](C[5]C[5]PtH)(O[5]C[5])(O)	O[5](C[5]C[5]O)2{1|Pt<4>,2|H<1>}	C[5](C[5]C[5]PtH)(O[5]C[5])(O){1|H<1>,1|O<1>}	C[5](C[5]C[5]PtH)(O[5]C[5])(O){1|H<1>,1|O<1>}	107.9880	0.000	1	107.9880	0.000	1	109.1313	0.884	27	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:1:	C[5]-3:C[5]-3:	C[5]-4:O[5]-2:O-1:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5]O)2	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(O[5]C[5])(O)	O[5](C[5]C[5]O)2{1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(O){1|C<3>,1|H<1>,1|O<1>}	111.1190	0.000	1	111.1190	0.000	1	109.1313	0.884	27	110.3188	0.767	110	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:3:	C[5]-3:C[5]-3:	C[5,6]-4:O[5]-2:O-1:	C[5]-4:O[5]-2:C-3:	O[5](C[5]C[5,6]O)(C[5]C[5]C)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(O)	C[5](C[5]C[5,6]HO)(O[5]C[5])(CHH)	O[5](C[5]C[5,6]O)(C[5]C[5]C){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]HO)(O[5]C[5])(CHH){1|O<1>,2|C<4>}	111.0790	0.000	1	111.0790	0.000	1	111.0790	0.000	1	110.9035	0.062	2	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:1:	4:2:3:	C[5]-3:C[5]-3:	C[5]-4:O[5]-2:O-1:	C[5]-4:O[5]-2:C-3:	O[5](C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(O)	C[5](C[5]C[5]HN)(O[5]C[5])(CCC)	O[5](C[5]C[5]C)(C[5]C[5]O){1|N<4>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(O){1|C<3>,1|H<1>,1|N<4>}	C[5](C[5]C[5]HN)(O[5]C[5])(CCC){1|O<1>,2|H<1>}	110.7280	0.000	1	110.7280	0.000	1	110.7280	0.000	1	110.9035	0.062	2	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:2:	3:2:1:	C[5]-3:C[5]-3:	C-4:N[5]-2:O[5]-2:	N[5]-3:O[5]-2:S-1:	O[5](C[5]N[5]C)(C[5]N[5]S)	C[5](CC[6a]HH)(N[5]N[5])(O[5]C[5])	C[5](N[5]N[5]C)(O[5]C[5])(S)	O[5](C[5]N[5]C)(C[5]N[5]S){1|C<4>}	C[5](CC[6a]HH)(N[5]N[5])(O[5]C[5]){1|C<4>,1|S<1>}	C[5](N[5]N[5]C)(O[5]C[5])(S){1|C<4>}	106.3560	0.000	1	106.3560	0.000	1	105.9576	0.089	10	105.8736	0.761	16	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:2:	3:2:1:	C[5]-3:C[5]-3:	C-4:N[5]-2:O[5]-2:	N[5]-3:O[5]-2:S-1:	O[5](C[5]N[5]C)(C[5]N[5]S)	C[5](CC[6a]HH)(N[5]N[5])(O[5]C[5])	C[5](N[5]N[5]H)(O[5]C[5])(S)	O[5](C[5]N[5]C)(C[5]N[5]S){1|H<1>}	C[5](CC[6a]HH)(N[5]N[5])(O[5]C[5]){1|H<1>,1|S<1>}	C[5](N[5]N[5]H)(O[5]C[5])(S){1|C<4>}	105.9211	0.315	7	105.9211	0.099	7	105.9576	0.089	10	105.8736	0.761	16	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:2:	3:2:1:	C[5]-3:C[5]-3:	C-4:N[5]-2:O[5]-2:	N[5]-3:O[5]-2:S-1:	O[5](C[5]N[5]C)(C[5]N[5]S)	C[5](CN[5a]HH)(N[5]N[5])(O[5]C[5])	C[5](N[5]N[5]H)(O[5]C[5])(S)	O[5](C[5]N[5]C)(C[5]N[5]S){1|H<1>}	C[5](CN[5a]HH)(N[5]N[5])(O[5]C[5]){1|H<1>,1|S<1>}	C[5](N[5]N[5]H)(O[5]C[5])(S){1|C<4>}	105.8860	0.156	2	105.8860	0.024	2	105.9576	0.089	10	105.8736	0.761	16	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:2:	3:2:1:	C[5]-3:C[5]-3:	C[3x6]-4:N[5]-2:O[5]-2:	N[5]-3:O[5]-2:S-1:	O[5](C[5]C[3x6]N[5])(C[5]N[5]S)	C[5](C[3x6]C[6,6]3)(N[5]N[5])(O[5]C[5])	C[5](N[5]N[5]C)(O[5]C[5])(S)	O[5](C[5]C[3x6]N[5])(C[5]N[5]S){4|C<4>}	C[5](C[3x6]C[6,6]3)(N[5]N[5])(O[5]C[5]){1|S<1>,4|C<4>,6|H<1>}	C[5](N[5]N[5]C)(O[5]C[5])(S){1|C<4>}	106.5790	0.252	3	106.5790	0.063	3	106.5790	0.063	3	105.8736	0.761	16	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:2:	3:2:1:	C[5]-3:C[5]-3:	P-4:C[5]-2:O[5]-2:	C[5]-3:O[5]-2:H-1:	O[5](C[5]C[5]H)(C[5]C[5]P)	C[5](PC[5]Ru2)(C[5]C[5])(O[5]C[5])	C[5](C[5]C[5]H)(O[5]C[5])(H)	O[5](C[5]C[5]H)(C[5]C[5]P){1|H<1>}	C[5](PC[5]Ru2)(C[5]C[5])(O[5]C[5]){2|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(H){1|P<4>}	104.8880	1.733	3	104.8880	3.005	3	104.8880	3.005	3	105.8736	0.761	16	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:2:	4:2:1:	C[5]-3:C[5]-3:	C-4:N[5]-2:O[5]-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5]O)(C[5]N[5]C)	C[5](CC[6a]CH)(N[5]C[5])(O[5]C[5])	C[5](C[5]N[5]CC)(O[5]C[5])(O)	O[5](C[5]C[5]O)(C[5]N[5]C){2|C<4>}	C[5](CC[6a]CH)(N[5]C[5])(O[5]C[5]){1|O<1>,2|C<4>}	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<4>}	105.5870	0.000	1	105.5870	0.000	1	105.5870	0.000	1	108.1435	13.071	2	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:2:	4:2:1:	C[5]-3:C[5]-3:	C[5]-4:O[5]-2:C-2:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]CC)(O[5]C[5])(CC)	C[5](C[5]C[5]CH)(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]C[5]O){1|C<4>,1|H<1>,2|C<1>}	C[5](C[5]C[5]CC)(O[5]C[5])(CC){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<2>,2|C<1>}	110.7000	0.000	1	110.7000	0.000	1	110.7000	0.000	1	108.1435	13.071	2	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:3:	2:2:1:	C[5]-3:C[5]-3:	C[5,5]-4:O[5]-2:C-3:	O[5]-2:O[5]-2:O-1:	O[5](C[5]C[5,5]C)(C[5]O[5]O)	C[5](C[5,5]C[5,6a]C[5]O[5])(O[5]C[5])(CCH)	C[5](O[5]C[5,5])(O[5]C[5])(O)	O[5](C[5]C[5,5]C)(C[5]O[5]O){2|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(O[5]C[5])(CCH){1|N<3>,2|C<3>,2|O<1>}	C[5](O[5]C[5,5])(O[5]C[5])(O){3|C<3>}	109.9650	0.000	1	109.9650	0.000	1	109.9650	0.000	1	109.5573	0.387	3	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:3:	2:2:1:	C[5]-3:C[5]-3:	C[5]-4:O[5]-2:C-3:	O[5]-2:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]O[5]O)	C[5](C[5]O[5]CC)(O[5]C[5])(CC[6a]H)	C[5](O[5]C[5])2(O)	O[5](C[5]C[5]C)(C[5]O[5]O){2|C<4>}	C[5](C[5]O[5]CC)(O[5]C[5])(CC[6a]H){1|O<1>}	C[5](O[5]C[5])2(O){1|C<3>,2|C<4>}	108.8410	0.000	1	108.8410	0.000	1	109.3535	0.525	2	109.5573	0.387	3	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:3:	2:2:1:	C[5]-3:C[5]-3:	C[5]-4:O[5]-2:C-3:	O[5]-2:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]O[5]O)	C[5](C[5]O[5]HH)(O[5]C[5])(CCH)	C[5](O[5]C[5])2(O)	O[5](C[5]C[5]C)(C[5]O[5]O){2|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(CCH){1|O<1>}	C[5](O[5]C[5])2(O){1|C<3>,2|H<1>}	109.8660	0.000	1	109.8660	0.000	1	109.3535	0.525	2	109.5573	0.387	3	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:3:	2:2:3:	C[5]-3:C[5]-3:	C[5]-4:O[5]-2:C-3:	O[5]-2:O[5]-2:N-3:	O[5](C[5]C[5]C)(C[5]O[5]N)	C[5](C[5]O[5]HH)(O[5]C[5])(CBH)	C[5](O[5]C[5])2(NCC)	O[5](C[5]C[5]C)(C[5]O[5]N){2|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(CBH){1|N<3>}	C[5](O[5]C[5])2(NCC){1|C<3>,2|H<1>}	109.0040	0.000	1	109.0040	0.000	1	108.5645	0.386	2	108.5645	0.386	2	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:3:	2:2:3:	C[5]-3:C[5]-3:	C[5]-4:O[5]-2:C-3:	O[5]-2:O[5]-2:N-3:	O[5](C[5]C[5]C)(C[5]O[5]N)	C[5](C[5]O[5]HH)(O[5]C[5])(CBH)	C[5](O[5]C[5])2(NC[6a]2)	O[5](C[5]C[5]C)(C[5]O[5]N){2|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5])(CBH){1|N<3>}	C[5](O[5]C[5])2(NC[6a]2){1|C<3>,2|H<1>}	108.1250	0.000	1	108.1250	0.000	1	108.5645	0.386	2	108.5645	0.386	2	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:3:	3:2:1:	C[5]-3:C[5]-3:	C[5,5]-4:O[5]-2:C-3:	N[5,5]-3:O[5]-2:O-1:	O[5](C[5]C[5,5]C)(C[5]N[5,5]O)	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(CCH)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(O)	O[5](C[5]C[5,5]C)(C[5]N[5,5]O){1|H<1>,2|C<4>}	C[5](C[5,5]N[5,5]C[5]H)(O[5]C[5])(CCH){1|O<1>,2|C<4>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(O){1|C<3>,2|C<4>,3|H<1>}	109.3078	0.171	6	109.3078	0.029	6	109.3078	0.029	6	109.3853	0.073	21	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:3:	3:2:1:	C[5]-3:C[5]-3:	C[5]-4:O[5]-2:C-3:	N[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CC[6a]H)	C[5](N[5]C[5]C)(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CC[6a]H){1|C<4>,1|O<1>,2|C<3>}	C[5](N[5]C[5]C)(O[5]C[5])(O){1|H<1>,2|C<3>}	109.3840	0.211	3	109.3840	0.045	3	109.4163	0.091	15	109.3853	0.073	21	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:3:	3:2:1:	C[5]-3:C[5]-3:	C[5]-4:O[5]-2:C-3:	N[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]N[5]CC)(O[5]C[5])(CC[6a]N)	C[5](N[5]C[5]C)(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]N[5]O){3|C<4>}	C[5](C[5]N[5]CC)(O[5]C[5])(CC[6a]N){1|C<4>,1|O<1>}	C[5](N[5]C[5]C)(O[5]C[5])(O){1|C<3>,2|C<4>}	109.1060	0.602	2	109.1060	0.363	2	109.4163	0.091	15	109.3853	0.073	21	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:3:	3:2:1:	C[5]-3:C[5]-3:	C[5]-4:O[5]-2:C-3:	N[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]N[5]HH)(O[5]C[5])(CC[6a]C)	C[5](N[5]C[5]C)(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]N[5]O){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(CC[6a]C){1|C<4>,1|O<1>}	C[5](N[5]C[5]C)(O[5]C[5])(O){1|C<3>,2|H<1>}	109.2943	0.087	4	109.2943	0.008	4	109.4163	0.091	15	109.3853	0.073	21	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:3:	3:2:1:	C[5]-3:C[5]-3:	C[5]-4:O[5]-2:C-3:	N[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]N[5]HH)(O[5]C[5])(CC[6a]H)	C[5](N[5]C[5]C)(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]N[5]O){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(CC[6a]H){1|C<4>,1|O<1>}	C[5](N[5]C[5]C)(O[5]C[5])(O){1|C<3>,2|H<1>}	109.6723	0.029	3	109.6723	0.001	3	109.4163	0.091	15	109.3853	0.073	21	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:3:	3:2:1:	C[5]-3:C[5]-3:	C[5]-4:O[5]-2:C-3:	N[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]N[5]HH)(O[5]C[5])(CC[6a]H)	C[5](N[5]C[5]H)(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]N[5]O){3|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(CC[6a]H){1|H<1>,1|O<1>}	C[5](N[5]C[5]H)(O[5]C[5])(O){1|C<3>,2|H<1>}	109.1930	0.000	1	109.1930	0.000	1	109.4163	0.091	15	109.3853	0.073	21	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:3:	3:2:1:	C[5]-3:C[5]-3:	C[5]-4:O[5]-2:C-3:	N[5]-3:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]N[5]HH)(O[5]C[5])(CSeH)	C[5](N[5]C[5]C)(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]N[5]O){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(CSeH){1|C<4>,1|O<1>}	C[5](N[5]C[5]C)(O[5]C[5])(O){1|C<3>,2|H<1>}	109.7470	0.267	2	109.7470	0.071	2	109.4163	0.091	15	109.3853	0.073	21	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:3:	3:2:3:	C[5]-3:C[5]-3:	C[5]-4:O[5]-2:C-3:	N[5]-3:O[5]-2:N-3:	O[5](C[5]C[5]C)(C[5]N[5]N)	C[5](C[5]N[5]HH)(O[5]C[5])(CBH)	C[5](N[5]C[5]H)(O[5]C[5])(NCH)	O[5](C[5]C[5]C)(C[5]N[5]N){3|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(CBH){1|H<1>,1|N<3>}	C[5](N[5]C[5]H)(O[5]C[5])(NCH){1|C<3>,2|H<1>}	108.2720	0.000	1	108.2720	0.000	1	108.2720	0.000	1	108.2720	0.000	1	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:3:	4:2:1:	C[5]-3:C[5]-3:	C[5,5]-4:O[5]-2:C-3:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5,5]C)(C[5]C[5]O)	C[5](C[5,5]C[5]N[5]S[5])(O[5]C[5])(CC[6a]C)	C[5](C[5]C[5,5]C[6a]C)(O[5]C[5])(O)	O[5](C[5]C[5,5]C)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,1|S<2>}	C[5](C[5,5]C[5]N[5]S[5])(O[5]C[5])(CC[6a]C){1|O<1>,2|C<3>,3|C<4>}	C[5](C[5]C[5,5]C[6a]C)(O[5]C[5])(O){1|N<3>,1|S<2>,3|C<3>}	112.2260	0.000	1	112.2260	0.000	1	112.2260	0.000	1	110.7229	0.531	8	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:3:	4:2:1:	C[5]-3:C[5]-3:	C[5]-4:O[5]-2:C-3:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]2C)(O[5]C[5])(CCC)	C[5](C[5]C[5]HH)(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]C[5]O){2|C<4>,2|H<1>}	C[5](C[5]C[5]2C)(O[5]C[5])(CCC){1|O<1>,2|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(O){1|C<3>,2|C<4>}	110.0650	0.000	1	110.0650	0.000	1	110.5081	0.189	7	110.7229	0.531	8	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:3:	4:2:1:	C[5]-3:C[5]-3:	C[5]-4:O[5]-2:C-3:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]CH)(O[5]C[5])(CCC)	C[5](C[5]C[5]CH)(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(CCC){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|H<1>,2|C<3>}	111.1870	0.000	1	111.1870	0.000	1	110.5081	0.189	7	110.7229	0.531	8	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:3:	4:2:1:	C[5]-3:C[5]-3:	C[5]-4:O[5]-2:C-3:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CBrH)	C[5](C[5]C[5]CC)(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CBrH){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]CC)(O[5]C[5])(O){1|C<3>,2|H<1>}	110.9110	0.000	1	110.9110	0.000	1	110.5081	0.189	7	110.7229	0.531	8	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:3:	4:2:1:	C[5]-3:C[5]-3:	C[5]-4:O[5]-2:C-3:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]C[5]O){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCH){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[6a]C[5]H)(O[5]C[5])(O){2|H<1>,3|C<3>}	110.5090	0.000	1	110.5090	0.000	1	110.5081	0.189	7	110.7229	0.531	8	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:3:	4:2:1:	C[5]-3:C[5]-3:	C[5]-4:O[5]-2:C-3:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5a]H)	C[5](C[5]C[5]CC)(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]C[5]O){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CC[5a]H){1|O<1>,2|C<4>}	C[5](C[5]C[5]CC)(O[5]C[5])(O){1|C<3>,2|H<1>}	110.1280	0.107	2	110.1280	0.012	2	110.5081	0.189	7	110.7229	0.531	8	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:3:	4:2:1:	C[5]-3:C[5]-3:	C[5]-4:O[5]-2:C-3:	C[5]-4:O[5]-2:O-1:	O[5](C[5]C[5]C)(C[5]C[5]O)	C[5](C[5]C[5]HH)(O[5]C[5])(CHH)	C[5](C[5]C[5]CC)(O[5]C[5])(O)	O[5](C[5]C[5]C)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CHH){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]CC)(O[5]C[5])(O){1|C<3>,2|H<1>}	110.6290	0.000	1	110.6290	0.000	1	110.5081	0.189	7	110.7229	0.531	8	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:3:	4:2:3:	C[5]-3:C[5]-3:	C[5]-4:O[5]-2:C-3:	C[5]-4:O[5]-2:C-3:	O[5](C[5]C[5]C)2	C[5](C[5]C[5]HH)(O[5]C[5])(CCH)	C[5](C[5]C[5]2H)(O[5]C[5])(CCH)	O[5](C[5]C[5]C)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CCH){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]2H)(O[5]C[5])(CCH){3|C<3>,3|H<1>}	111.1260	0.340	3	111.1260	0.115	3	111.1260	0.115	3	111.1260	0.115	3	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:2:4:	3:2:1:	C[5]-3:C[5]-3:	C[5]-4:O[5]-2:C-4:	C[5]-3:O[5]-2:H-1:	O[5](C[5]C[5]C)(C[5]C[5]H)	C[5](C[5]C[5]CC)(O[5]C[5])(CCHH)	C[5](C[5]C[5]C)(O[5]C[5])(H)	O[5](C[5]C[5]C)(C[5]C[5]H){1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(O[5]C[5])(CCHH){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(H){3|C<4>}	105.9090	0.000	1	105.9090	0.000	1	105.9090	0.000	1	105.9090	0.000	1	108.0357	5.740	582	107.9960	5.636	606
976	818	818	5:SP2_SP2_SP2	O[5]	C[5]	C[5]	3:3:	4:3:2:	4:2:3:	C[5]-3:C[5]-3:	C[6]-4:N[5]-3:O[5]-2:	C[5]-4:O[5]-2:C-3:	O[5](C[5]C[6]N[5])(C[5]C[5]C)	C[5](C[6]C[6]2H)(N[5]C[5]C)(O[5]C[5])	C[5](C[5]N[5]HH)(O[5]C[5])(CBH)	O[5](C[5]C[6]N[5])(C[5]C[5]C){3|C<4>,3|H<1>}	C[5](C[6]C[6]2H)(N[5]C[5]C)(O[5]C[5]){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(CBH){2|C<4>}	108.7000	0.000	1	108.7000	0.000	1	108.7000	0.000	1	108.7000	0.000	1	108.0357	5.740	582	107.9960	5.636	606