HMDB0251905 RDKit 3D Ergobasin 47 50 0 0 0 0 0 0 0 0999 V2000 5.4813 2.0118 -0.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7145 0.7513 -0.4565 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4293 -0.4101 0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6439 -1.5441 0.0086 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3912 0.8187 0.1796 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1978 0.6813 -0.5652 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2882 0.4987 -1.7928 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9149 0.7640 0.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2596 0.6044 -0.7274 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3370 0.0597 -0.2231 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5344 -0.1172 -1.0836 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4366 -0.2204 -2.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6335 -0.4031 -3.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8612 -0.4756 -2.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9410 -0.3702 -1.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8943 -0.3869 -0.1684 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3139 -0.2231 1.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9254 -0.0932 0.8788 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7580 -0.1923 -0.4693 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7820 0.1200 1.7587 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -0.4289 1.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3344 -0.1931 1.9679 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2483 -1.1319 3.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8731 -0.3552 1.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3117 2.1867 -0.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7909 2.8682 -0.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9193 1.9677 0.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6419 0.5886 -1.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5211 -0.2336 1.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4410 -0.5796 -0.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8634 -1.9288 -0.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4147 0.9750 1.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8346 1.7219 0.7529 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2469 0.9194 -1.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4716 -0.1598 -2.9103 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5393 -0.4817 -4.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7474 -0.6143 -3.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9034 -0.5088 -0.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7734 -0.1876 2.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9461 -0.2390 2.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5920 1.2305 1.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6387 -1.5386 1.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0982 -1.0030 3.7732 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7314 -0.9227 3.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1872 -2.1569 2.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7206 -0.3162 1.8897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7975 -1.3522 0.6919 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 2 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 8 1 0 21 10 1 0 19 11 1 0 19 15 2 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 5 32 1 0 8 33 1 0 9 34 1 0 12 35 1 0 13 36 1 0 14 37 1 0 16 38 1 0 17 39 1 0 20 40 1 0 20 41 1 0 21 42 1 0 23 43 1 0 23 44 1 0 23 45 1 0 24 46 1 0 24 47 1 0 M END