3309922 -OEChem-05092413233D 41 44 0 1 0 0 0 0 0999 V2000 -3.8209 1.4999 -2.3323 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.9193 2.9177 0.3616 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9642 1.7936 -1.8739 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5599 1.7292 -0.0692 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6422 -0.9517 2.6660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4332 -2.0372 -0.3561 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6930 -2.9669 -0.2745 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6205 -2.8570 -0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3167 -0.9385 0.5912 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1843 -4.1866 -1.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3363 -4.1124 -0.9284 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0242 -0.2286 0.4591 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 0.0369 0.5161 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2882 0.4456 -0.7193 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9297 -0.2798 1.5146 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0556 0.2982 -0.7116 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9324 0.6287 1.6785 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5109 1.0786 -0.8085 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1610 0.3697 1.3985 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4221 1.0417 0.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1249 1.1914 -0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0015 1.5220 1.6101 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5979 1.8032 0.3808 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2630 2.2023 -1.3989 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9172 -3.2562 0.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6071 -2.5878 -0.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5542 -2.3949 -0.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7272 -3.1274 0.9418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4029 -1.3821 1.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5736 -5.1156 -0.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4878 -4.1488 -2.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7698 -4.0338 -1.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7548 -5.0037 -0.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6014 0.4801 -1.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6932 -0.1658 -1.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4736 0.4183 2.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8860 0.3471 2.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3569 1.9902 2.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0251 1.8180 -2.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3082 3.2975 -1.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2546 -1.8130 2.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 23 1 0 0 0 0 3 18 1 0 0 0 0 3 24 1 0 0 0 0 4 20 1 0 0 0 0 4 24 1 0 0 0 0 5 15 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 11 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 14 34 1 0 0 0 0 15 19 2 0 0 0 0 16 21 1 0 0 0 0 16 35 1 0 0 0 0 17 22 2 0 0 0 0 17 36 1 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 21 23 2 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 M END > 3309922 > 0.8 > 1 3 8 6 4 7 5 2 > 28 1 -0.18 12 -0.14 13 -0.14 14 -0.15 15 0.08 16 -0.15 17 -0.15 18 0.08 19 -0.15 2 -0.18 20 0.08 21 0.18 22 -0.15 23 0.18 24 0.56 3 -0.36 34 0.15 35 0.15 36 0.15 37 0.15 38 0.15 4 -0.36 41 0.45 5 -0.53 6 -0.81 7 0.27 8 0.27 9 0.56 > 4.6 > 8 1 3 acceptor 1 4 acceptor 1 5 donor 1 6 cation 5 3 4 18 20 24 rings 5 6 7 8 10 11 rings 6 12 14 15 18 19 20 rings 6 13 16 17 21 22 23 rings > 24 > 0 > 1 > 0 > 0 > 0 > 1 > 3 > 0032816200000001 > 68.1834 > 40.754 > 10165383 225 17912963639977063995 105312 117 18340498841091899244 10871710 139 17680436846334215076 11477941 20 17335073733360102588 11640471 11 18188201091544895248 121448 382 18060129972914982179 12160290 23 18195803192212164427 12173636 292 18271537450206861521 12363563 72 8790600369069913473 12553582 1 17619626221362341882 12633257 1 13984659265373550716 12707595 3 9294991454366956409 12788726 201 18120644996800891243 13134695 92 17539688002249132983 133893 2 18053664672840244275 13583140 156 16878777189421183297 13681431 1 17619641184827525435 13965767 371 18261664875097970904 15342168 16 18337113350533096725 15439362 3 18269000782661087028 15463212 79 18263924522058966616 16752209 62 18196072563807562943 16988056 13 17472136172396780109 1813 80 17050497639826686823 18785283 64 18121791530057301147 20600515 1 17193468734187342235 20739085 24 17834670500871440442 21033650 10 17059236777509180576 21285901 2 17556042485966664855 21524375 3 18260552250749943265 2255824 54 17983015540386520015 22907989 373 18124028194010434495 23419403 2 17108819224019231018 23557571 272 17626100111703611264 23559900 14 17905899080843588075 23598288 3 18263921201849371706 3057174 1 18271814471175944799 350125 39 18341345426106166123 3729539 64 17763506883123326326 458136 41 18199202710746013459 474 4 18268145349624332137 5081480 168 17547856252799418141 59755656 520 17843994552463165721 6287921 2 18122062005712346845 6442390 28 18057348204465862963 7164475 11 18121212349485732806 81228 2 17908994548914136034 > 475.06 7.75 4.37 1.93 1.59 6.41 0.18 -10.11 -1.28 0.43 -1.91 0 -0.65 -1.23 > 1031.192 > 263.4 > 2 5 10 $$$$