HMDB0258240 RDKit 3D Sepimostat 47 50 0 0 0 0 0 0 0 0999 V2000 -9.0385 -0.6128 0.8097 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.1808 -0.6987 -0.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6408 -0.9233 -1.4715 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7650 -0.5705 0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2603 -0.3553 1.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8770 -0.2444 1.6051 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9826 -0.3435 0.5616 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6146 -0.2314 0.7623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7460 -0.3353 -0.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3535 -0.2239 -0.1175 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3037 0.9745 -0.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3814 2.0015 -0.4298 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7414 1.1295 -0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5769 0.0654 0.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9376 0.2275 0.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5038 1.4780 0.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8993 1.6676 0.5233 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7121 0.5416 0.7968 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6342 -0.2630 1.8005 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6457 -1.2985 1.7281 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0616 -1.2498 0.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7869 0.1416 -0.0712 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6961 2.5624 0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3453 2.3646 -0.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2818 -0.5513 -1.5545 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6392 -0.6633 -1.7593 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5313 -0.5595 -0.6846 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8851 -0.6732 -0.9017 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8521 -0.4565 1.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4560 -0.3888 -1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1757 -1.6071 -2.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9331 -0.2708 2.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4912 -0.0760 2.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2321 -0.0597 1.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0993 -0.9095 0.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5625 -0.6509 0.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3374 2.5939 0.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4865 -1.1150 2.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1883 -2.3015 1.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4820 -1.9102 -0.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1582 -1.4107 0.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2768 0.7029 -0.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 3.5780 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7235 3.2417 -0.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6332 -0.6384 -2.4152 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0793 -0.8328 -2.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2487 -0.8453 -1.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 2 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 1 0 21 22 1 0 16 23 1 0 23 24 2 0 9 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 4 1 0 27 7 1 0 24 13 1 0 22 18 1 0 1 29 1 0 3 30 1 0 3 31 1 0 5 32 1 0 6 33 1 0 8 34 1 0 14 35 1 0 15 36 1 0 17 37 1 0 20 38 1 0 20 39 1 0 21 40 1 0 21 41 1 0 22 42 1 0 23 43 1 0 24 44 1 0 25 45 1 0 26 46 1 0 28 47 1 0 M END