HMDB0040586 RDKit 3D Vitamin D5 78 80 0 0 0 0 0 0 0 0999 V2000 5.8250 -1.4861 1.5566 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0993 -1.0356 0.3429 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4705 -0.5716 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4704 -0.2925 -1.5497 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7701 -1.3720 -2.3325 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9089 -1.1907 -3.7021 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3279 -1.5382 -2.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0402 -0.9794 -0.6457 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8850 -0.4192 -0.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7038 0.1376 1.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5234 0.6647 1.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4128 1.2206 2.7388 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0497 0.9238 3.3141 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3893 -0.2409 2.6171 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1394 0.0626 1.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0043 -1.2768 0.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3501 0.7235 0.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9852 2.1840 0.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4649 2.3421 0.6319 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0164 0.9818 0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1146 0.5455 0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6683 0.3553 -1.3531 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2868 1.4950 0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4190 1.1136 -0.7052 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9924 -0.2480 -0.4433 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5210 -0.3505 0.9647 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1037 -1.7146 1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0551 -0.6168 -1.4567 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4877 -0.6323 -2.8607 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1961 0.3839 -1.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6574 -1.5047 2.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -1.8545 1.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1349 -1.4455 0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8182 0.2820 0.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4946 -0.1205 -1.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9033 0.6480 -1.7058 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2921 -2.3306 -2.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4626 -0.3753 -4.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7355 -0.9263 -2.7443 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0418 -2.5893 -2.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1400 -0.4295 -1.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4492 0.2469 1.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5373 2.3178 2.6756 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2308 0.8727 3.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.8154 3.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1973 0.6225 4.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 -0.3696 3.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9348 -1.1789 2.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6772 -1.9876 1.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0021 -1.7377 0.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3756 -1.2830 -0.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5266 0.3335 -0.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2467 2.5510 -0.7118 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5574 2.8505 0.9951 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6405 3.1063 1.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9469 2.7839 -0.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5047 1.1149 2.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5320 -0.4429 0.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2372 0.9742 -2.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6003 0.6737 -1.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7058 -0.7217 -1.6053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9373 2.5032 -0.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5681 1.5557 1.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2664 1.8371 -0.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1631 1.3001 -1.7455 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1840 -0.9954 -0.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2749 0.4264 1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6898 -0.2036 1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4685 -2.5267 0.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1750 -1.8624 2.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1395 -1.7284 0.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4926 -1.6112 -1.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4654 -1.0612 -2.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5028 0.4265 -3.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1066 -1.2693 -3.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5172 0.6981 -0.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9452 1.2433 -2.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0582 -0.1201 -1.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 25 28 1 0 28 29 1 0 28 30 1 0 8 2 1 0 17 11 1 0 20 15 1 0 1 31 1 0 1 32 1 0 3 33 1 0 3 34 1 0 4 35 1 0 4 36 1 0 5 37 1 0 6 38 1 0 7 39 1 0 7 40 1 0 9 41 1 0 10 42 1 0 12 43 1 0 12 44 1 0 13 45 1 0 13 46 1 0 14 47 1 0 14 48 1 0 16 49 1 0 16 50 1 0 16 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 21 58 1 0 22 59 1 0 22 60 1 0 22 61 1 0 23 62 1 0 23 63 1 0 24 64 1 0 24 65 1 0 25 66 1 0 26 67 1 0 26 68 1 0 27 69 1 0 27 70 1 0 27 71 1 0 28 72 1 0 29 73 1 0 29 74 1 0 29 75 1 0 30 76 1 0 30 77 1 0 30 78 1 0 M END