HMDB0015068 RDKit 3D Mesoridazine 52 55 0 0 0 0 0 0 0 0999 V2000 2.3366 -0.6327 -2.8466 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4998 -0.0461 -1.5554 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7188 -0.3411 -0.8945 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7916 -1.6062 -0.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5342 -1.7967 0.6948 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3734 -1.6517 -0.2651 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 -0.2318 -0.7125 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3971 0.8243 0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3411 0.9752 1.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9796 1.3468 0.7933 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0791 2.7020 0.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0592 3.6039 0.5518 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1264 4.9539 0.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2580 5.4236 -0.4363 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2751 4.5590 -0.6555 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1915 3.2308 -0.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5773 2.1758 -0.6111 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2119 0.6089 0.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2006 -0.3533 0.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9404 -1.5846 0.6035 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7239 -1.8637 1.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 -3.4532 1.8617 S 0 0 0 0 0 4 0 0 0 0 0 0 -1.7435 -4.5549 0.6367 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7363 -4.0138 2.4272 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7276 -0.8924 1.2357 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9882 0.3702 0.6863 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7663 -1.6344 -2.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 -0.6558 -3.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7881 0.0433 -3.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4962 -0.4464 -1.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1364 0.4742 -0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8427 -2.4750 -0.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6887 -1.5602 0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5657 -2.8507 1.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4381 -1.0941 1.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4638 -2.1554 0.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7286 -2.2288 -1.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4369 -0.1118 -1.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4565 1.7891 -0.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4285 0.7702 0.7667 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6371 1.8483 2.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2926 0.1722 2.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8457 3.3375 1.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7041 5.6189 0.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3267 6.4553 -0.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2026 4.8846 -1.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1598 -0.1375 -0.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7019 -2.3514 0.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8901 -5.6318 0.9235 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6541 -4.3246 0.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2682 -4.3773 -0.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7843 -1.1102 1.6845 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 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 2 0 21 22 1 0 22 23 1 0 22 24 2 0 21 25 1 0 25 26 2 0 7 2 1 0 26 10 1 0 16 11 1 0 26 18 1 0 1 27 1 0 1 28 1 0 1 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 6 37 1 0 7 38 1 0 8 39 1 0 8 40 1 0 9 41 1 0 9 42 1 0 12 43 1 0 13 44 1 0 14 45 1 0 15 46 1 0 19 47 1 0 20 48 1 0 23 49 1 0 23 50 1 0 23 51 1 0 25 52 1 0 M END