RDKit 3D 47 50 0 0 0 0 0 0 0 0999 V2000 7.4140 -0.1363 -0.9642 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9658 0.2203 -0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0708 -1.0183 -0.6783 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6581 -0.6658 -0.3894 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9013 -0.6065 0.7564 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6299 -0.1850 0.3089 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6097 -0.0138 -1.0222 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8896 -0.3127 -1.4548 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3746 0.0566 1.0905 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4124 1.3398 1.9268 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3427 2.3683 1.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4813 1.5602 0.5186 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8209 0.2630 0.1576 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.7118 -0.9272 -0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6494 -0.7651 -1.1385 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2986 -0.8875 -2.4744 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4232 -0.6356 -3.1981 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4677 -0.3199 -2.4333 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0375 -0.4329 -1.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0649 -0.1646 0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8446 -0.2813 1.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0020 0.0464 2.1441 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0701 0.3999 1.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6824 0.3295 -0.3055 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5102 -0.6019 -1.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8072 -0.8312 -0.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0360 0.7642 -0.9524 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6147 0.9450 -1.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9099 0.7187 0.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1318 -1.5169 -1.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4239 -1.7395 0.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2333 -0.8308 1.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1583 -0.8072 1.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4237 1.6777 2.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1201 1.1730 2.8719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 2.7645 0.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6972 3.2083 1.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2517 1.3532 1.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9152 2.0058 -0.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3816 0.4036 -0.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1922 -1.1159 0.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0528 -1.7818 -0.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3671 -1.1337 -2.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5489 -0.6460 -4.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9301 -0.5999 1.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0533 0.0144 3.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0648 0.6875 1.6691 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 6 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 8 4 1 0 13 9 1 0 19 15 1 0 24 20 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 5 32 1 0 9 33 1 1 10 34 1 0 10 35 1 0 11 36 1 0 11 37 1 0 12 38 1 0 12 39 1 0 13 40 1 0 14 41 1 0 14 42 1 0 16 43 1 0 17 44 1 0 21 45 1 0 22 46 1 0 23 47 1 0 M CHG 1 13 1 M END