RDKit 3D 50 54 0 0 0 0 0 0 0 0999 V2000 -5.8737 2.1107 2.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9620 1.1924 1.2996 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5159 1.1289 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6704 0.0034 -0.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9421 -0.6621 -1.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9927 -0.4349 -2.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1722 -1.7053 -0.6522 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1386 -2.1170 0.6662 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8340 -1.5694 1.6173 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5828 -0.5168 1.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3880 0.1974 2.0383 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2284 -3.2914 0.9575 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 -2.7191 1.2811 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9621 -2.1907 -0.3037 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3893 -2.6342 -1.4021 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9211 -1.8786 -2.4116 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6444 -1.9355 -3.7862 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3233 -1.0715 -4.6505 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2722 -0.1779 -4.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5587 -0.1066 -2.7903 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8426 -0.9534 -1.9253 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8583 -1.1548 -0.5451 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6342 -0.4150 0.3918 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 0.9773 0.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4851 1.7176 1.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1558 1.0740 2.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0665 -0.3157 2.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3069 -1.0620 1.4324 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9259 1.6782 3.1811 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9129 3.0998 3.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8724 2.1435 -1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0485 2.6189 -1.0908 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9458 2.4466 -1.9291 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.8430 1.9419 3.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5940 3.1524 1.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9042 1.9623 1.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5806 -2.1520 -1.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5927 -3.8076 1.8517 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2445 -4.0077 0.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0954 -2.6325 -4.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1026 -1.0970 -5.7149 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7934 0.4826 -4.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3109 0.5862 -2.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 1.5159 -0.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5174 2.7953 1.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5918 -0.8239 3.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2880 -2.1433 1.5432 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3730 3.5108 2.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5129 3.4251 4.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8980 3.4864 3.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 8 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 26 29 1 0 29 30 1 0 3 31 1 0 31 32 2 0 31 33 1 0 11 2 1 0 10 4 2 0 22 14 1 0 21 16 1 0 28 23 1 0 1 34 1 0 1 35 1 0 1 36 1 0 7 37 1 0 12 38 1 0 12 39 1 0 17 40 1 0 18 41 1 0 19 42 1 0 20 43 1 0 24 44 1 0 25 45 1 0 27 46 1 0 28 47 1 0 30 48 1 0 30 49 1 0 30 50 1 0 M CHG 1 33 -1 M END