RDKit 3D 46 49 0 0 0 0 0 0 0 0999 V2000 -5.0491 3.3381 -1.9862 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9751 2.7855 -1.2129 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2025 1.8883 -1.8768 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3139 1.5781 -3.0551 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0811 1.3648 -1.0031 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6064 -0.0244 -1.4801 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1945 -0.6539 -0.2133 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6055 0.1162 0.9081 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5117 1.0885 0.3761 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9696 -2.0034 -0.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1595 -3.0819 -0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6292 -4.1846 -0.4454 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 -3.8399 0.8208 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3516 -2.4770 1.0489 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7220 -3.0281 -2.1944 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4635 0.1120 -2.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2677 -0.4174 -2.1059 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7135 0.6408 -0.6974 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2005 0.7903 -0.5475 N 0 0 0 0 0 4 0 0 0 0 0 0 3.5692 0.4095 0.6155 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8928 0.3228 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9280 -0.1377 2.4873 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7447 -0.5427 3.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -0.4901 2.7642 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3654 0.0056 1.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3347 0.1724 0.6620 N 0 0 0 0 0 4 0 0 0 0 0 0 3.8930 -1.0339 4.6354 N 0 0 0 0 0 4 0 0 0 0 0 0 5.0433 -1.1595 5.0604 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8572 -1.2737 5.2664 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.6545 4.0895 -2.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7457 3.8235 -1.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5953 2.5582 -2.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2684 2.1003 -0.9938 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4565 -0.5611 -1.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1384 -0.4863 1.5722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6684 1.9364 0.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6756 -2.6748 -2.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7402 -3.9407 -2.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7369 -0.5033 -3.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4036 1.1332 -2.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3114 1.6514 -0.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8433 1.0822 -1.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7950 0.6112 0.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8975 -0.2207 2.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6022 -0.7958 3.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3707 -0.0676 0.9401 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 7 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 11 15 1 0 6 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 23 27 1 0 27 28 2 0 27 29 1 0 9 5 1 0 14 10 2 0 26 18 1 0 25 20 1 0 1 30 1 0 1 31 1 0 1 32 1 0 5 33 1 1 6 34 1 6 8 35 1 0 9 36 1 0 15 37 1 0 15 38 1 0 16 39 1 0 16 40 1 0 18 41 1 6 19 42 1 0 21 43 1 0 22 44 1 0 24 45 1 0 26 46 1 0 M CHG 4 19 1 26 1 27 1 29 -1 M END