HMDB0000876 RDKit 3D Vitamin D3 72 74 0 0 0 0 0 0 0 0999 V2000 -4.4964 2.0982 -0.7396 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4231 1.3547 -0.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5035 1.9245 0.6995 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4871 0.7830 0.9293 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8240 0.0340 -0.3344 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.8903 -0.7958 -0.0686 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6556 -0.8241 -0.8144 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3935 -0.0993 -0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2408 -0.7003 -0.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0161 -0.0416 0.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8738 -0.7261 0.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9359 -2.1551 -0.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5905 -2.8096 -0.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5119 -2.0788 0.5354 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5481 -0.6802 0.0258 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3291 -0.5400 -1.4442 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6773 -0.0380 0.7112 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5227 1.3777 0.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9862 1.5928 0.5046 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6003 0.1967 0.5419 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8666 0.2948 -0.3005 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5322 -0.9896 -0.4865 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7109 1.3008 0.4047 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9963 1.7324 -0.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2170 0.9890 -0.2982 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9399 0.2995 0.7893 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2165 -0.7886 1.5033 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1844 -0.3745 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5103 3.1628 -0.5581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7550 1.7141 -1.3946 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0424 2.7447 0.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0861 2.1765 1.7014 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4548 1.1687 1.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1117 0.0493 1.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0655 0.7661 -1.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6354 -1.5800 0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6669 -1.8334 -0.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6921 -0.9346 -1.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2259 -1.7929 -0.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0199 0.9811 0.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4073 -2.3100 -1.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5582 -2.7671 0.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2521 -2.9298 -1.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6156 -3.8420 0.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2331 -2.0785 1.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4276 -2.6505 0.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6119 0.5061 -1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7673 -0.5964 -1.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -1.2835 -2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4582 -0.1716 1.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9785 2.0711 1.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9313 1.7098 -0.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2585 2.2041 1.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2736 2.1152 -0.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8772 -0.0377 1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5895 0.7234 -1.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6361 -1.5311 0.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9795 -1.7302 -1.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5247 -0.9444 -0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6853 1.0873 1.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0680 2.2966 0.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7874 2.3484 -1.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3280 2.6398 0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2818 0.3342 -1.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9804 1.8275 -0.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3606 1.0263 1.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8507 -1.2522 2.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2651 -0.4599 1.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0015 -1.6660 0.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6890 -1.0234 0.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8285 0.4240 -0.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7622 -0.9983 -0.6723 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 6 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 26 28 1 0 8 2 1 0 17 11 1 0 20 15 1 0 1 29 1 0 1 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 5 35 1 6 6 36 1 0 7 37 1 0 7 38 1 0 9 39 1 0 10 40 1 0 12 41 1 0 12 42 1 0 13 43 1 0 13 44 1 0 14 45 1 0 14 46 1 0 16 47 1 0 16 48 1 0 16 49 1 0 17 50 1 1 18 51 1 0 18 52 1 0 19 53 1 0 19 54 1 0 20 55 1 1 21 56 1 6 22 57 1 0 22 58 1 0 22 59 1 0 23 60 1 0 23 61 1 0 24 62 1 0 24 63 1 0 25 64 1 0 25 65 1 0 26 66 1 0 27 67 1 0 27 68 1 0 27 69 1 0 28 70 1 0 28 71 1 0 28 72 1 0 M END