RDKit 3D 44 44 0 0 0 0 0 0 0 0999 V2000 3.5407 1.8809 -1.7667 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1992 0.8150 -0.7562 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1305 0.0629 -0.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6376 -0.9689 0.8185 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3964 -1.7189 1.4226 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2904 -1.0345 0.9720 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4566 -0.2263 0.2794 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8425 0.6745 -0.5555 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2112 -0.5227 0.6471 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9877 0.3413 -0.7501 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4910 0.1534 -0.6872 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0925 -0.6049 -1.4419 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1176 0.9018 0.2872 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5575 0.8685 0.4846 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0746 -0.5053 0.9388 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3050 -0.4566 1.7138 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4595 0.0957 1.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5172 0.7117 0.1486 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6717 -0.1280 2.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6264 0.1799 -0.2713 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1833 -0.8186 -1.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6799 -0.7407 -1.3749 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4540 -1.6815 -1.3277 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1373 0.5055 -1.5944 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5543 1.7897 -2.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8621 1.8193 -2.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4323 2.8727 -1.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9157 -1.7252 1.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6257 -0.0660 -1.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7612 1.4121 -0.7198 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5525 1.4318 0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7844 1.6354 1.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0326 1.1623 -0.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2478 -1.1559 0.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3329 -0.9945 1.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4048 -1.1412 2.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3909 -0.2816 3.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3182 0.7519 2.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2142 -1.0046 1.7072 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1062 0.0299 0.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9040 1.2029 -0.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9223 -1.8421 -0.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7702 -0.6487 -2.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1088 0.3886 -1.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 2 0 7 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 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 3 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 8 2 1 0 1 25 1 0 1 26 1 0 1 27 1 0 6 28 1 0 10 29 1 0 10 30 1 0 13 31 1 0 14 32 1 0 14 33 1 0 15 34 1 0 15 35 1 0 16 36 1 0 19 37 1 0 19 38 1 0 19 39 1 0 20 40 1 0 20 41 1 0 21 42 1 0 21 43 1 0 24 44 1 0 M END