9395 -OEChem-03292408173D 32 32 0 0 0 0 0 0 0999 V2000 2.0511 -0.0145 0.7792 P 0 0 0 0 0 0 0 0 0 0 0 0 0.9123 -1.0181 0.2260 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1189 1.1601 -0.3358 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4258 -0.8462 0.5583 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8530 0.4538 2.1933 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9017 1.3453 0.1817 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.2942 -0.6579 -0.6259 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5064 0.2099 -0.1780 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4190 -0.7166 0.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1383 2.1379 -0.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7504 -1.3528 -0.7251 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8729 0.5383 0.5203 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -1.6665 -0.3673 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1250 -0.1021 -0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2296 0.8461 0.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6638 -1.3585 -0.4685 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0163 3.1141 -1.3433 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0535 -2.0724 -0.6612 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0340 2.6489 0.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1176 1.6507 -0.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9604 -2.0362 -1.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -0.5285 -1.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2149 1.3082 0.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9515 -2.6460 -0.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5536 1.8350 0.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3320 -2.1221 -0.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7884 3.8864 -1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1051 2.6102 -2.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0350 3.6006 -1.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3296 -2.4791 -1.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8525 -1.4033 -0.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0102 -2.8963 0.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 2 9 1 0 0 0 0 3 10 1 0 0 0 0 4 11 1 0 0 0 0 6 8 1 0 0 0 0 7 8 2 0 0 0 0 8 14 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 17 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 18 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 15 1 0 0 0 0 12 23 1 0 0 0 0 13 16 2 0 0 0 0 13 24 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 M CHG 2 6 -1 8 1 M END > 9395 > 0.8 > 1 18 12 23 22 8 10 3 11 5 24 20 21 4 28 19 17 7 26 14 25 6 29 9 27 16 15 13 2 > 20 1 1.51 10 0.28 11 0.28 12 -0.15 13 -0.15 14 0.13 15 -0.15 16 -0.15 2 -0.35 23 0.15 24 0.15 25 0.15 26 0.15 3 -0.55 4 -0.55 5 -0.7 6 -0.52 7 -0.52 8 0.91 9 0.08 > 7 > 5 1 5 acceptor 1 6 acceptor 1 6 anion 1 7 acceptor 6 9 12 13 14 15 16 rings > 18 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 000024B300000001 > 35.254 > 25.453 > 10366900 7 17095527257894063177 12617007 42 18409455748262758990 12932764 1 16950829375720985859 13760787 5 18413390956170971787 14115302 16 18131351908014203562 14863182 85 16558759975339975854 15342168 16 17532656943063903813 15536298 74 18410292540487652348 1813 80 18336262320122228450 18186145 218 17894903053357826559 19784866 240 17561090159371495950 200 152 16486967367456300475 20612939 158 18408326596322186468 20645477 70 18409729581859932950 21267235 1 18342181055481047247 21503847 285 18114180830470126208 21709351 56 18338229371872091181 22224240 67 9510878346710178990 2255824 54 18334009506432647274 23402539 116 17560510708332662335 23559900 14 18343015597195455066 3286 77 17418087706863684416 474 4 17677893615989195412 58051976 100 18408323280697449007 633830 44 18259979396955495043 7364860 26 18341613763378726872 90127 26 17967535675282599913 9971528 1 18341890767252031058 9981440 41 17760648466534393136 9999458 23 18187367614375773854 > 334.08 10.14 2.46 1.1 5.32 1.41 -0.37 -1.07 2.48 -3.46 1.07 -0.85 0.28 -0.6 > 661.547 > 199.8 > 2 5 10 $$$$