HMDB0251590 RDKit 3D Dorsomorphin 55 59 0 0 0 0 0 0 0 0999 V2000 -10.0277 0.8298 -0.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9286 0.0015 -0.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7500 0.4936 0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5987 -0.3830 0.6237 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5142 -1.6680 1.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2310 -2.0740 1.0523 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4667 -1.1034 0.5348 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1413 -1.0614 0.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6311 0.0964 -0.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2199 0.2906 -0.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8193 1.0923 -1.6392 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5149 1.2791 -1.9348 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5015 0.6735 -1.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8246 0.8975 -1.5320 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8273 0.2724 -0.7527 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 0.6640 -1.3271 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2793 0.1273 -0.6607 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5363 -1.2484 -0.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5213 -1.6394 0.3695 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0409 -1.0288 1.6735 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1154 0.4893 1.6113 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0493 0.9629 0.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1098 -0.1265 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2285 -0.3140 0.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4659 1.1714 -0.5418 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7747 1.0443 -0.2613 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2810 -0.0697 0.2689 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7555 1.8216 0.8487 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8350 2.6413 0.7142 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9720 2.1239 0.1879 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.9759 0.4946 -0.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9952 -1.0294 -0.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3837 -2.2155 1.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4805 -1.8869 0.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6193 1.5671 -2.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7544 1.9210 -2.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7155 0.7063 0.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6297 -0.7967 -0.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2198 1.7823 -1.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2192 0.4378 -2.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6471 -1.9038 -0.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0375 -1.4834 -1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6008 -2.7378 0.5073 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4972 -1.1650 0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6225 -1.4621 2.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9837 -1.3386 1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3483 0.9345 2.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1055 0.7763 2.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6071 1.9779 0.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0897 1.0453 -0.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8577 -0.6220 0.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5281 -0.9539 1.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1349 2.0943 -0.9655 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8210 2.2160 1.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8431 3.6953 1.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 13 23 1 0 23 24 2 0 9 25 1 0 25 26 2 0 26 27 1 0 3 28 2 0 28 29 1 0 29 30 2 0 30 1 1 0 27 4 2 0 27 7 1 0 24 10 1 0 22 17 1 0 1 31 1 0 2 32 1 0 5 33 1 0 8 34 1 0 11 35 1 0 12 36 1 0 15 37 1 0 15 38 1 0 16 39 1 0 16 40 1 0 18 41 1 0 18 42 1 0 19 43 1 0 19 44 1 0 20 45 1 0 20 46 1 0 21 47 1 0 21 48 1 0 22 49 1 0 22 50 1 0 23 51 1 0 24 52 1 0 25 53 1 0 28 54 1 0 29 55 1 0 M END