RDKit 3D 48 50 0 0 0 0 0 0 0 0999 V2000 -0.6057 -2.1950 -2.4705 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4725 -2.6345 -1.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1932 -1.5002 -0.7100 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3971 -1.1638 -1.3352 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8481 -1.7709 -2.3080 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1317 -0.0057 -0.7904 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3664 0.3797 -1.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0442 1.4590 -0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4938 2.1661 0.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2402 1.7622 0.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5546 0.6819 0.2701 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3132 0.3204 0.8001 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7048 -0.7126 0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1607 -1.1464 1.0382 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4597 0.5123 1.5511 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0024 0.8295 2.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9995 0.5538 1.4772 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6706 1.1891 2.2867 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5342 -0.1287 0.3961 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8950 -0.2539 0.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9016 0.5671 0.5426 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2362 0.3744 0.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5752 -0.6188 -0.7881 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5745 -1.4290 -1.3186 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2491 -1.2490 -0.9118 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0593 -2.3130 -1.5722 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.2924 1.2244 0.6998 N 0 0 0 0 0 4 0 0 0 0 0 0 8.4616 0.8194 0.6036 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9584 2.2936 1.2280 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.2343 3.3365 0.9413 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6406 3.9730 1.8598 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3916 3.5895 0.4869 O 0 0 0 0 0 1 0 0 0 0 0 0 0.1153 -1.4341 -2.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2153 -1.7686 -3.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0566 -3.0483 -2.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8513 -3.1424 -0.5533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1944 -3.3799 -1.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8086 -0.1557 -2.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0122 1.7630 -1.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8060 2.3063 1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1022 1.2764 0.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0886 0.8036 3.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4262 0.1396 3.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3177 1.8372 3.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8888 -0.7558 -0.0795 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6703 1.3544 1.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6058 -0.7762 -1.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8343 -2.2073 -2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 22 27 1 0 27 28 2 0 27 29 1 0 9 30 1 0 30 31 2 0 30 32 1 0 13 3 1 0 11 6 1 0 25 20 1 0 1 33 1 0 1 34 1 0 1 35 1 0 2 36 1 0 2 37 1 0 7 38 1 0 8 39 1 0 10 40 1 0 15 41 1 6 16 42 1 0 16 43 1 0 16 44 1 0 19 45 1 0 21 46 1 0 23 47 1 0 24 48 1 0 M CHG 3 27 1 29 -1 32 -1 M END