RDKit 3D 30 31 0 0 0 0 0 0 0 0999 V2000 2.0227 -2.8435 0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3147 -1.5687 0.1321 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3999 -0.5978 -0.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0495 -0.8076 0.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8945 0.1558 -0.2171 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3309 -0.0038 -0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8803 -1.1640 0.4381 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2691 -1.2959 0.6075 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1016 -0.2482 0.2978 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5082 0.9051 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1851 1.0005 -0.3254 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4192 1.3469 -0.6934 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8630 1.6239 -0.9065 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3095 2.9100 -1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6459 3.9385 -1.8167 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7991 0.6229 -0.6229 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4923 1.0196 -0.9156 S 0 0 0 0 0 4 0 0 0 0 0 0 4.2999 1.7342 0.4923 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7180 1.7625 -2.1995 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6139 -2.7148 1.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2612 -3.3810 0.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9501 -3.4404 0.7058 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3046 -1.7728 0.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2399 -2.0015 0.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7147 -2.2032 0.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1905 -0.3200 0.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1907 1.7219 -0.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6076 1.8150 1.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7324 2.7135 0.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1498 1.0928 0.7801 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 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 5 12 2 0 12 13 1 0 13 14 1 0 14 15 3 0 13 16 2 0 16 17 1 0 17 18 1 1 17 19 2 0 16 3 1 0 11 6 1 0 1 20 1 0 1 21 1 0 1 22 1 0 4 23 1 0 7 24 1 0 8 25 1 0 9 26 1 0 10 27 1 0 18 28 1 0 18 29 1 0 18 30 1 0 M END