RDKit 3D 47 49 0 0 0 0 0 0 0 0999 V2000 7.8511 -1.5393 1.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3967 -1.5707 0.7539 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7702 -2.3327 -0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0838 -2.0251 -0.2026 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3065 -0.9337 1.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -0.7714 1.4983 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 -0.2584 1.6939 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9378 -0.2998 1.3739 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4147 -0.9429 0.4669 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0993 0.5703 2.3055 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3824 2.3396 1.9404 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5753 2.4502 0.3471 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0793 3.2134 -0.7023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3551 3.2487 -1.8967 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8373 2.5338 -2.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2843 1.7984 -0.9128 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 1.7653 0.2516 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5243 1.0023 -0.9305 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6969 1.4689 -1.5456 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8701 0.7049 -1.5401 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8990 -0.5460 -0.9124 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7345 -1.0379 -0.2916 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5664 -0.2629 -0.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8404 -2.2711 0.3085 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6937 -2.7746 0.9827 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0022 -1.3632 -0.8737 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2569 -0.7784 -1.1928 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3073 3.9418 -0.6044 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3005 4.5411 -0.5617 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1504 -0.5400 1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4502 -1.7924 0.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0839 -2.2558 1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2069 -3.0330 -0.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5978 0.3609 2.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3992 0.3721 3.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0418 0.2945 2.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7164 3.8221 -2.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3894 2.5390 -2.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7187 2.4453 -2.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7435 1.1135 -2.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6525 -0.6265 0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9636 -3.7344 1.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3829 -2.1023 1.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8744 -2.9576 0.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3115 -0.5124 -2.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0326 -1.5261 -0.9986 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4645 0.0890 -0.5569 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 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 21 26 1 0 26 27 1 0 13 28 1 0 28 29 3 0 6 2 1 0 17 12 1 0 23 18 1 0 1 30 1 0 1 31 1 0 1 32 1 0 3 33 1 0 7 34 1 0 10 35 1 0 10 36 1 0 14 37 1 0 15 38 1 0 19 39 1 0 20 40 1 0 23 41 1 0 25 42 1 0 25 43 1 0 25 44 1 0 27 45 1 0 27 46 1 0 27 47 1 0 M END