HMDB0250891 RDKit 3D DC-Chol 92 95 0 0 0 0 0 0 0 0999 V2000 -9.4349 -1.7845 -2.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7515 -3.0085 -1.5186 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6460 -3.8998 -0.7297 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5041 -2.5672 -0.7057 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6396 -1.8664 -1.6655 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3362 -1.3021 -1.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3494 -0.2529 -0.1759 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9158 -0.6103 1.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1640 0.5879 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8017 1.3790 -1.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4412 1.9806 -0.9042 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1607 1.4709 0.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7067 1.3835 0.8077 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1246 2.7479 0.7439 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2456 2.7614 0.2199 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0159 1.6947 0.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3936 1.7492 -0.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2571 0.7880 0.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6038 0.8198 -0.1165 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6114 1.3370 0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2762 1.7922 1.8062 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9859 1.3999 0.2826 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9611 1.9534 1.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3707 1.9543 0.6801 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9289 0.6876 0.5009 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2730 0.7517 0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2155 -0.4081 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7490 -0.6047 0.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3068 -0.6846 -0.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 0.3341 0.4939 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4614 0.2937 1.9927 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0357 0.4202 -0.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 -0.9034 -0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1073 -0.7821 -0.4893 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8686 0.1032 0.4265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8144 -0.4234 1.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0056 -1.5476 -3.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2892 -0.8948 -1.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5156 -2.0057 -2.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3539 -3.5896 -2.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1330 -4.5843 -0.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3482 -3.2685 -0.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2976 -4.4573 -1.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8236 -2.0672 0.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0513 -3.5570 -0.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1751 -1.0572 -2.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3745 -2.6088 -2.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7206 -2.1997 -0.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8892 -0.8662 -2.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1448 0.4943 -0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9600 -0.2559 1.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3559 -0.0401 1.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8724 -1.6668 1.4343 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4685 1.4189 0.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5247 2.2138 -1.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7053 0.7642 -2.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7056 1.6786 -1.6625 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4944 3.0800 -0.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6573 2.0835 1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6648 1.0210 1.8644 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7874 3.4270 0.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0824 3.1477 1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6599 3.7231 -0.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4196 1.4512 -1.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8195 2.7763 -0.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2877 1.1574 1.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2300 1.0403 -0.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6098 2.9799 1.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8974 1.3763 2.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0076 2.5764 1.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3934 2.5017 -0.3131 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4821 1.7773 -0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9589 0.4719 0.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3743 0.0346 -0.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2558 -0.6403 0.5655 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9943 -0.4372 -1.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8308 -1.3571 0.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8258 -1.0686 1.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3942 -1.2432 -0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3243 -0.4259 -1.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9360 -1.7227 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6614 -0.3973 2.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4600 -0.0235 2.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2373 1.2737 2.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1043 0.8588 -1.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1854 -1.4262 -1.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5028 -1.5885 0.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4819 -1.8386 -0.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1830 -0.4601 -1.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0400 0.3640 2.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3708 -1.3654 1.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7393 -0.6994 2.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 18 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 9 1 0 35 12 1 0 32 13 1 0 30 16 1 0 1 37 1 0 1 38 1 0 1 39 1 0 2 40 1 0 3 41 1 0 3 42 1 0 3 43 1 0 4 44 1 0 4 45 1 0 5 46 1 0 5 47 1 0 6 48 1 0 6 49 1 0 7 50 1 0 8 51 1 0 8 52 1 0 8 53 1 0 9 54 1 0 10 55 1 0 10 56 1 0 11 57 1 0 11 58 1 0 12 59 1 0 13 60 1 0 14 61 1 0 14 62 1 0 15 63 1 0 17 64 1 0 17 65 1 0 18 66 1 0 22 67 1 0 23 68 1 0 23 69 1 0 24 70 1 0 24 71 1 0 26 72 1 0 26 73 1 0 26 74 1 0 27 75 1 0 27 76 1 0 27 77 1 0 28 78 1 0 28 79 1 0 29 80 1 0 29 81 1 0 31 82 1 0 31 83 1 0 31 84 1 0 32 85 1 0 33 86 1 0 33 87 1 0 34 88 1 0 34 89 1 0 36 90 1 0 36 91 1 0 36 92 1 0 M END