53362007 -OEChem-04232404043D 48 50 0 0 0 0 0 0 0999 V2000 -2.9653 -1.8948 -0.8874 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.1810 3.3976 -0.2514 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1887 0.9953 1.4514 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3809 1.3563 2.9732 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.0697 -2.4897 0.5877 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.7708 -3.0570 -1.0612 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.0284 -3.1305 0.9753 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7210 -0.2641 -0.8126 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2828 1.7886 -1.9789 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0244 -1.3611 0.0467 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3974 -0.1707 -0.0831 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5144 0.8691 0.1371 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0268 1.6487 0.2497 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9531 -0.6444 1.1882 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4678 0.2537 -0.9906 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9505 -1.7843 0.9541 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 -0.8862 -1.2251 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9732 -2.4500 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1975 0.7267 -0.2634 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4004 1.9837 0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0779 1.5811 -0.7902 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2516 1.2136 -0.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5321 1.3647 1.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3403 1.0766 -1.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6874 0.7138 -0.5293 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0645 -0.6262 -0.4405 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3401 -0.9632 0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5857 1.7169 -0.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2386 0.0399 0.3764 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8614 1.3799 0.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7914 -2.3842 0.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1447 -1.0158 1.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4479 0.1735 1.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9968 1.1308 -0.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0399 0.5458 -1.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3761 -2.0742 1.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4221 -2.6604 0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9696 -1.7046 -1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2712 -0.5121 -1.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4219 -2.7702 0.7689 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5019 -3.3207 -0.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7968 -2.1159 -0.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8643 1.7174 0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4731 2.6138 -0.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8220 2.5463 0.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2825 1.2369 -2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2378 -0.1949 0.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5741 2.1488 0.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 28 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 23 2 0 0 0 0 5 31 1 0 0 0 0 6 31 1 0 0 0 0 7 31 1 0 0 0 0 8 19 2 0 0 0 0 9 21 2 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 12 19 1 0 0 0 0 12 43 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 17 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 22 24 2 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 28 2 0 0 0 0 26 27 2 0 0 0 0 27 29 1 0 0 0 0 27 31 1 0 0 0 0 28 30 1 0 0 0 0 29 30 2 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 M END > 53362007 > 1 > 1 24 23 21 16 17 9 27 19 2 6 11 12 26 14 20 8 4 13 10 18 22 7 25 3 5 15 > 35 1 -0.18 10 -0.81 11 -0.55 12 -0.42 13 -0.42 14 0.27 15 0.27 16 0.27 17 0.27 18 0.27 19 0.57 2 -0.18 20 0.36 21 0.62 22 0.12 23 0.58 24 -0.18 25 0.03 26 0.18 27 -0.14 28 0.18 29 -0.15 3 -0.24 30 -0.15 31 1.16 4 -0.38 43 0.37 46 0.15 47 0.15 48 0.15 5 -0.34 6 -0.34 7 -0.34 8 -0.57 9 -0.57 > 7.6 > 8 1 10 cation 1 12 donor 1 4 acceptor 1 8 acceptor 1 9 acceptor 5 3 13 21 22 23 rings 6 10 11 14 15 16 17 rings 6 25 26 27 28 29 30 rings > 31 > 0 > 0 > 1 > 0 > 0 > 1 > 2 > 032E3D5700000001 > 61.9971 > 40.597 > 10299344 5 18187368701461247324 10319926 262 18272642459487910609 11524674 6 17561076999327814999 11545043 162 18272928358534143617 11646440 116 16917068863143202984 117089 54 17680439041580293331 11963148 33 18335413522889833730 11991303 11 14129352805456141648 12166972 35 18408325506065540748 12741549 16 16917348135372196473 12895837 130 10159696915422922015 13383668 90 17894913971059341694 13540713 5 15504319458799877469 1361 4 18265334104434760718 13668630 136 18339080394431236574 13673619 4 18343018925731844969 13690498 29 17603860088134879349 13782708 43 18271238421376759800 13911987 19 14345788357948158673 14068700 675 18260832566819415444 14178184 131 18201716301237906502 14251751 18 18342175596070958497 14344974 204 18200030775877606071 14420673 8 18410856560104045791 14767858 380 16225763008758847648 14856354 85 18410011014182460901 15183329 4 17022901238230822874 15198563 99 15502651538868525846 15230672 131 18337948987411391619 15352257 5 18409449176630895694 15849732 13 12396595013799608584 18393751 57 16475123742236138649 2026 5 18413106165016396031 20691028 202 10231164055086192994 21424621 283 10807937063626440908 21781051 124 18130517370980002686 21814621 53 18130495388451496344 23522609 53 17970376761811109812 23559900 14 18272079556542129457 23569943 247 17896311424911157522 23576562 1 14780125210980155511 25025965 108 18129931386759179607 3383291 50 17561083609267055255 397830 11 17988068006832800288 4107672 100 18114741530050920325 439807 62 18408324419074551555 44880168 125 18196368337622172851 5104073 3 18130787901430775841 5265222 85 18200038493980581972 57527293 21 17558834134080151085 57527585 21 12830582226071198235 58083652 198 16200137795135918024 6009941 240 18129944459984870129 636775 72 10015570710693402022 636775 8 18341619167006962942 9831232 110 18340210666594077958 999808 66 18187936113854235755 > 595.92 23.65 3.23 1.58 36.94 1.55 -0.86 19.87 1.07 -4.97 -0.08 0.99 -0.6 0.54 > 1224.839 > 349.4 > 2 5 10 $$$$