HMDB0302776 RDKit 3D Elasterol 76 79 0 0 0 0 0 0 0 0999 V2000 6.5556 0.7752 2.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4751 0.2066 1.5745 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 -0.7189 2.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9424 0.4073 0.1829 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9278 1.2263 -0.6154 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2234 0.4449 -0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6034 1.0247 0.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8156 1.3177 -0.8995 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3262 0.2646 -1.7713 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3474 -0.6184 -2.4006 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2118 -0.5690 -1.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2477 -1.8856 -1.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -2.5039 -0.7235 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9023 -1.3678 -1.0490 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1785 -1.3221 -0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5919 -2.1686 0.5617 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8956 -2.0315 1.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7581 -0.9371 0.6944 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8100 -0.6126 1.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7841 0.3945 1.1372 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.5546 0.8659 2.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1224 1.5683 0.4945 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0151 1.1832 -0.4652 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9832 0.2941 0.2416 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4164 1.0778 1.3714 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0109 -0.1542 -0.7850 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1127 0.8647 -1.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7427 0.9793 -0.6775 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0096 -0.2607 -0.5269 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2631 -0.5402 0.9611 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2132 1.4599 1.5206 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8527 0.5392 3.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4238 -1.4890 2.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9448 -1.2842 1.9118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3168 -0.1885 3.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9585 -0.6033 -0.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6249 1.4627 -1.6325 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1985 2.1763 -0.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1287 1.0703 -0.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2806 -0.3963 0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2980 -0.0526 -1.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7913 2.0412 0.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0077 0.5034 1.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5483 1.9334 -1.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0256 2.0995 -0.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8768 0.8207 -2.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2322 -0.0248 -2.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9597 -1.0189 -3.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6142 -1.5301 -1.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9596 -2.5769 -1.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1187 -2.6683 0.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3156 -3.4094 -1.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9871 -1.2675 -2.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9481 -2.9908 0.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4506 -3.0010 1.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8103 -1.9509 2.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2993 -1.2975 -0.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4026 -1.5541 1.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4173 -0.3424 2.6911 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4860 -0.1380 0.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8882 1.7896 2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8902 2.0967 -0.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7892 2.2895 1.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5681 2.1173 -0.8324 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4793 0.5729 -1.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6118 0.5932 1.9239 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2528 1.2277 2.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1864 2.0985 1.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6260 -0.5695 -1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8838 0.7230 -2.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5824 1.8699 -1.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2636 1.8344 -1.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0036 1.3792 0.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4539 0.4846 1.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6330 -0.9257 1.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1795 -1.1079 1.1160 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 1 0 5 6 1 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 1 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 1 29 11 1 0 29 14 1 0 26 15 1 0 24 18 1 0 1 31 1 0 1 32 1 0 3 33 1 0 3 34 1 0 3 35 1 0 4 36 1 6 5 37 1 0 5 38 1 0 6 39 1 0 6 40 1 0 6 41 1 0 7 42 1 0 7 43 1 0 8 44 1 0 8 45 1 0 9 46 1 6 10 47 1 0 10 48 1 0 10 49 1 0 12 50 1 0 13 51 1 0 13 52 1 0 14 53 1 6 16 54 1 0 17 55 1 0 17 56 1 0 18 57 1 6 19 58 1 0 19 59 1 0 20 60 1 6 21 61 1 0 22 62 1 0 22 63 1 0 23 64 1 0 23 65 1 0 25 66 1 0 25 67 1 0 25 68 1 0 26 69 1 6 27 70 1 0 27 71 1 0 28 72 1 0 28 73 1 0 30 74 1 0 30 75 1 0 30 76 1 0 M END