53299805 -OEChem-04252406093D 41 44 0 0 0 0 0 0 0999 V2000 4.0615 -3.2835 0.7450 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.8230 1.4051 -0.1055 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5097 2.2921 -1.6024 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2433 2.7774 0.5059 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.6541 2.3675 -1.1325 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6891 2.4663 -2.0581 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.6150 0.5402 -1.6884 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6149 -1.8275 -0.4352 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4865 -0.4096 -0.2397 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0149 -2.5517 0.1899 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 -0.5451 -0.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7648 0.5706 -0.7519 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1339 -1.8670 -0.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9847 -1.6618 0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5425 1.1676 0.4114 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2806 0.7228 -0.3982 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6103 0.6307 -0.2086 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8014 1.7356 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3928 -1.7574 0.3102 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4657 -2.4893 -0.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1722 -0.6686 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9787 1.1412 1.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4968 2.2772 1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5517 1.7835 -0.3532 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4253 1.7755 -1.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7260 -3.8128 0.1313 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6741 1.6830 2.7683 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9331 2.2510 2.5738 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1250 -3.9747 -0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6199 -2.7384 -0.3545 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4393 0.1867 -1.5223 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2268 1.3893 -1.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8098 1.6600 -0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2442 -0.7436 0.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0047 0.7263 1.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4785 2.7249 1.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0073 -4.5757 0.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2338 1.6663 3.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4739 2.6734 3.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7008 -4.8790 0.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6098 -2.3613 -0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 24 1 0 0 0 0 3 24 1 0 0 0 0 4 24 1 0 0 0 0 5 25 1 0 0 0 0 6 25 1 0 0 0 0 7 25 1 0 0 0 0 8 20 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 16 1 0 0 0 0 10 13 1 0 0 0 0 10 14 2 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 15 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 20 1 0 0 0 0 14 19 1 0 0 0 0 15 18 1 0 0 0 0 15 22 2 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 21 1 0 0 0 0 17 24 1 0 0 0 0 18 23 2 0 0 0 0 18 25 1 0 0 0 0 19 21 2 0 0 0 0 20 26 2 0 0 0 0 21 34 1 0 0 0 0 22 27 1 0 0 0 0 22 35 1 0 0 0 0 23 28 1 0 0 0 0 23 36 1 0 0 0 0 26 29 1 0 0 0 0 26 37 1 0 0 0 0 27 28 2 0 0 0 0 27 38 1 0 0 0 0 28 39 1 0 0 0 0 29 30 2 0 0 0 0 29 40 1 0 0 0 0 30 41 1 0 0 0 0 M END > 53299805 > 0.8 > 1 16 18 2 5 21 6 17 19 12 22 15 10 4 3 11 13 24 14 8 20 9 7 23 > 39 1 -0.14 10 -0.57 11 -0.33 12 0.32 13 0.23 14 0.14 15 -0.14 16 -0.18 17 -0.14 18 -0.14 19 0.19 2 -0.34 20 0.14 21 -0.15 22 -0.15 23 -0.15 24 1.16 25 1.16 26 -0.15 27 -0.15 28 -0.15 29 -0.15 3 -0.34 30 -0.01 33 0.15 34 0.15 35 0.15 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.34 40 0.15 41 0.15 5 -0.34 6 -0.34 7 -0.34 8 -0.28 9 0.33 > 5 > 6 1 8 acceptor 3 9 10 14 cation 5 8 20 26 29 30 rings 5 9 10 11 13 14 rings 6 15 18 22 23 27 28 rings 6 9 14 16 17 19 21 rings > 30 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 032D4A5D00000001 > 49.5821 > 30.562 > 10670039 82 18118982523162707820 1100329 8 18266455404474015970 11582403 64 16590811748469556909 11725454 13 16952806147741488109 12788726 201 18271809089508465674 12954195 1 18128278837950645806 13140716 1 18337116657341247850 13583140 156 17532662225857769210 13631057 29 18196371635518090190 14955137 171 17760953752614860538 17138139 8 17841676739920182223 17349148 13 17914887647971328370 19319366 153 17556024585175471177 20510252 161 18268993257462075002 20739085 24 17332824746591239890 21033648 144 18412540982074911804 21049683 271 17616536593983476199 21521721 280 18411699847469614313 21641784 216 18044949105811326997 21756936 100 17774458104587114848 22907989 373 18060140959314718443 23419403 2 17486203719684204497 23558518 356 18336842977909637794 23559900 14 18270670966720712898 283562 15 18122912190093519154 3380486 145 18186812382484247957 350125 39 18410294752791546050 352729 6 18201157641956423350 4340502 62 17982751683967018945 460360 51 18335149661272810598 469060 322 18043825396685990313 474 4 18055640516361794560 5252454 2 18264512666386017852 59755656 520 18270420311943579876 633830 44 17843133506067912709 > 559.78 9.65 4.87 1.66 9 3.87 -0.62 -4.66 1.31 -2.25 -0.48 -1.9 -1.73 -1.57 > 1243.897 > 302 > 2 5 10 $$$$