RDKit 3D 45 47 0 0 0 0 0 0 0 0999 V2000 -0.8635 -3.8955 -0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2031 -2.8834 0.7538 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5049 -1.2175 0.5874 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9765 -1.3273 0.5736 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6966 -0.0374 0.4434 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2304 1.2467 0.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2924 2.0522 0.2593 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4081 1.3228 0.2648 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7605 1.6701 0.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7470 0.7025 0.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4035 -0.6302 0.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0746 -0.9692 0.4083 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0824 -0.0112 0.3799 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0468 -0.3923 1.6166 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4035 0.0482 1.5074 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0574 0.3271 2.5586 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0577 0.1837 0.1792 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9343 -1.0143 -0.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1216 1.6576 0.1220 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1726 3.1824 0.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0239 0.2836 -0.8192 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1229 1.2745 -1.8981 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9156 -0.6001 -0.7253 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 -0.8488 -1.7937 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1949 -4.2488 -0.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4840 -4.8255 -0.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1461 -3.3740 -1.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3425 -1.7960 1.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3122 -2.0008 -0.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1736 1.5005 0.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2132 3.1060 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0401 2.7224 0.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7603 1.0407 0.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1843 -1.3904 0.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7832 -2.0079 0.5001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4886 -0.1009 2.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4245 -1.7065 -0.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8480 -0.6738 -0.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2837 -1.5343 0.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6783 3.8232 1.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1794 3.7362 -0.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1062 3.0032 0.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1342 1.6762 -1.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4316 2.1027 -1.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7589 0.8238 -2.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 2 1 1 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 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 3 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 17 19 1 1 19 20 1 0 17 21 1 0 21 22 1 0 21 23 1 0 23 24 2 0 23 3 1 0 13 5 1 0 13 8 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 0 4 29 1 0 6 30 1 0 7 31 1 0 9 32 1 0 10 33 1 0 11 34 1 0 12 35 1 0 14 36 1 0 18 37 1 0 18 38 1 0 18 39 1 0 20 40 1 0 20 41 1 0 20 42 1 0 22 43 1 0 22 44 1 0 22 45 1 0 M END