RDKit 3D 48 50 0 0 0 0 0 0 0 0999 V2000 7.2080 1.2942 2.3356 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7366 1.0370 1.0134 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4841 0.4969 0.9636 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8050 0.2331 1.9522 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0291 0.2527 -0.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7809 0.4977 -1.6048 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0855 0.1569 -2.7414 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 -0.4611 -2.3726 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7725 -0.2568 -0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7919 -0.5968 0.2195 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5013 -1.0219 -0.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9783 -1.1328 -1.1398 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7301 -1.3266 1.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2571 -1.6486 2.4865 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2705 -1.8791 3.4165 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2820 -1.7205 2.7389 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6608 -1.3590 1.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4989 -1.0982 0.1235 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8861 -1.1382 0.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6171 -1.5163 1.0079 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4455 -0.6576 -1.2551 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9496 -0.9609 -1.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8500 -0.0052 -0.6138 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5202 1.4529 -0.8996 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0429 1.7445 -0.6571 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1266 0.8367 -1.4910 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1391 1.2434 -2.9815 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1973 0.2971 -3.8146 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0514 2.4850 -3.2017 O 0 0 0 0 0 1 0 0 0 0 0 0 6.5709 2.0324 2.8324 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2532 0.3671 2.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2190 1.7036 2.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7846 0.9056 -1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4063 0.2383 -3.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0458 -0.4249 1.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3084 -1.7226 2.7363 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3853 -2.1365 4.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0288 -0.8868 -0.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9299 -1.2783 -2.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2261 -0.9040 -2.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1610 -1.9905 -1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8977 -0.2011 -0.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7542 -0.1936 0.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1314 2.0981 -0.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7845 1.6949 -1.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8476 2.8030 -0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8201 1.5995 0.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0966 1.0475 -1.1730 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 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 9 5 2 0 17 13 2 0 26 21 1 0 1 30 1 0 1 31 1 0 1 32 1 0 6 33 1 0 7 34 1 0 10 35 1 0 14 36 1 0 15 37 1 0 18 38 1 0 21 39 1 6 22 40 1 0 22 41 1 0 23 42 1 0 23 43 1 0 24 44 1 0 24 45 1 0 25 46 1 0 25 47 1 0 26 48 1 1 M CHG 1 29 -1 M END