HMDB0015504 RDKit 3D Alfacalcidol 73 75 0 0 0 0 0 0 0 0999 V2000 -4.9465 0.3715 -2.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4219 -0.2943 -1.4555 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2857 0.2830 -0.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0863 0.7061 0.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9093 0.6199 -0.6277 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7335 1.0991 -0.2671 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 1.7470 1.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3823 2.5865 1.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 1.7480 0.9181 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6721 0.6745 -0.1059 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3067 -0.6172 0.5432 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 1.0622 -1.0344 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3997 -0.0179 -2.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1036 -0.3209 -2.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7240 0.6109 -1.1497 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1030 0.3235 -0.7685 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9417 0.3293 -2.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3303 -0.9341 0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7863 -1.1497 0.3613 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3728 -0.0409 1.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8268 -0.4249 1.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8150 -1.7650 2.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5300 0.5661 2.3148 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4596 0.3347 0.7695 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5803 -0.4386 0.1090 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.1066 0.2324 -0.9798 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0208 -1.7899 -0.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1486 -1.6086 -1.5760 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2557 -2.6703 -1.6143 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4666 1.3172 -2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0694 -0.1185 -3.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9935 1.1546 1.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9218 0.1048 -1.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4852 2.4870 1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7216 1.0602 1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3416 2.9717 2.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4229 3.4300 0.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6936 2.4202 0.7346 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0671 1.2355 1.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5216 -0.6107 1.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6835 -1.5136 0.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8186 -0.7225 0.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2212 2.0179 -1.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7451 0.3287 -3.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9769 -0.9234 -1.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3244 -1.3729 -1.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4927 -0.0432 -3.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7236 1.6246 -1.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4890 1.1757 -0.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 1.3740 -2.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4913 -0.3165 -2.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9962 0.1193 -1.8413 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9913 -1.8433 -0.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7970 -0.8763 0.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4014 -1.4096 -0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7996 -2.0659 1.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8978 0.0038 2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2798 0.9522 0.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3419 -0.5140 0.4725 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8824 -1.8432 2.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7931 -2.5661 1.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6575 -1.8408 2.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9424 1.4960 2.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8559 0.1202 3.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4689 0.8820 1.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7943 1.3857 0.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2655 -0.1526 1.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4036 -0.6602 0.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3565 -0.4540 -1.6608 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8694 -2.4764 -0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4436 -2.1996 0.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8132 -1.6330 -2.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8170 -2.7274 -0.7392 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 1 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 3 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 28 2 1 0 12 6 1 0 15 10 1 0 1 30 1 0 1 31 1 0 4 32 1 0 5 33 1 0 7 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 9 38 1 0 9 39 1 0 11 40 1 0 11 41 1 0 11 42 1 0 12 43 1 6 13 44 1 0 13 45 1 0 14 46 1 0 14 47 1 0 15 48 1 6 16 49 1 1 17 50 1 0 17 51 1 0 17 52 1 0 18 53 1 0 18 54 1 0 19 55 1 0 19 56 1 0 20 57 1 0 20 58 1 0 21 59 1 0 22 60 1 0 22 61 1 0 22 62 1 0 23 63 1 0 23 64 1 0 23 65 1 0 24 66 1 0 24 67 1 0 25 68 1 1 26 69 1 0 27 70 1 0 27 71 1 0 28 72 1 6 29 73 1 0 M END