HMDB0001028 RDKit 3D 25-Azacholesterol 73 76 0 0 0 0 0 0 0 0999 V2000 2.8344 0.9676 -1.5716 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6988 0.9081 -0.0743 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9688 0.4395 0.6042 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1557 1.3107 0.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3451 0.7234 1.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6713 -0.5920 0.6687 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1924 -0.7396 -0.6465 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1682 -1.4837 1.6591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5668 0.0052 0.2936 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4480 -0.0766 1.8359 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -0.3667 2.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6426 -0.4546 0.7862 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1095 -0.1282 0.7790 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8353 -1.1327 1.6134 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0998 -1.6084 1.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6716 -1.0932 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9464 -1.6136 -0.6059 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7676 -0.4693 -1.1268 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.1418 0.3032 -0.0146 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0128 0.2930 -2.1607 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5226 0.0453 -2.1665 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9989 0.0447 -0.7556 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3460 1.3295 -0.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5312 -0.2517 -0.6808 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7205 0.6296 -1.5672 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2319 0.3646 -1.4579 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1902 0.5244 -0.0387 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0419 1.9500 0.4019 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9056 0.8713 -1.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4627 1.9104 -2.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3319 0.1178 -2.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4988 1.9628 0.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7924 0.4194 1.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1895 -0.5654 0.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4085 1.5042 -0.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9644 2.3040 0.8531 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1659 0.6997 2.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2558 1.3603 0.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7928 -1.6147 -1.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2934 -0.9699 -0.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0764 0.2175 -1.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9760 -2.5538 1.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2683 -1.3666 1.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7436 -1.1745 2.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6592 -1.0108 -0.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7023 0.8888 2.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1126 -0.8995 2.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0887 -1.3596 2.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4618 0.3817 2.7972 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5101 -1.4438 0.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3210 0.8786 1.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1019 -0.6425 2.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1423 -1.9861 1.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6038 -2.4340 1.4988 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7533 -2.3846 -1.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5002 -2.1127 0.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7348 -0.8843 -1.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9039 -0.1328 0.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3756 -0.0922 -3.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2906 1.3557 -2.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0602 0.9105 -2.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3189 -0.8892 -2.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0905 1.9498 -0.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7224 1.1714 0.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4600 2.0159 0.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3603 -1.3004 -0.9806 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0063 0.4090 -2.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8734 1.7027 -1.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0577 -0.5976 -1.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2328 1.1774 -2.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3475 2.5726 -0.4927 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7115 2.2695 1.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9684 2.2741 0.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 2 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 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 1 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 1 27 9 1 0 27 12 1 0 24 13 1 0 22 16 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 1 3 33 1 0 3 34 1 0 4 35 1 0 4 36 1 0 5 37 1 0 5 38 1 0 7 39 1 0 7 40 1 0 7 41 1 0 8 42 1 0 8 43 1 0 8 44 1 0 9 45 1 6 10 46 1 0 10 47 1 0 11 48 1 0 11 49 1 0 12 50 1 6 13 51 1 1 14 52 1 0 14 53 1 0 15 54 1 0 17 55 1 0 17 56 1 0 18 57 1 6 19 58 1 0 20 59 1 0 20 60 1 0 21 61 1 0 21 62 1 0 23 63 1 0 23 64 1 0 23 65 1 0 24 66 1 6 25 67 1 0 25 68 1 0 26 69 1 0 26 70 1 0 28 71 1 0 28 72 1 0 28 73 1 0 M END