HMDB0014826 RDKit 3D Mycophenolate mofetil 62 64 0 0 0 0 0 0 0 0999 V2000 -3.9512 2.2017 0.8314 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3565 1.3993 -0.2356 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6633 0.0604 -0.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9843 -0.2530 0.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9972 0.7904 0.4716 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3597 -1.5757 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4299 -2.5606 0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1180 -2.2469 -0.2846 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2373 -3.2938 -0.5173 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7429 -0.9007 -0.3907 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3353 -0.7135 -0.8013 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8472 0.6287 -0.9702 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8012 1.1278 -0.3248 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0233 0.3417 0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3846 2.5606 -0.5943 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9828 2.6447 -1.1757 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1006 2.1697 -0.3773 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1942 2.3929 0.8458 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1368 1.4209 -0.9664 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 0.9539 -0.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1854 0.1527 -1.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2925 -0.3770 -0.3345 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0697 -1.4031 0.6153 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4439 -1.9500 1.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2244 -0.9882 1.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9596 0.3018 1.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4561 0.4137 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0875 -3.8461 0.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5031 -4.9756 0.1056 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3986 -3.6244 0.6079 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6336 -2.2552 0.6516 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9662 1.6686 1.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9560 2.6638 0.7307 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6450 3.0983 0.9526 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6152 1.7074 0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4568 1.0608 -0.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7823 0.3659 1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2735 -3.2013 -0.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2470 -1.2138 -1.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7420 -1.3868 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3549 1.2890 -1.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1121 0.9529 1.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5605 -0.5623 1.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9977 0.0692 0.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0978 2.9925 -1.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3613 3.0707 0.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1734 3.7486 -1.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 2.1976 -2.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7919 0.2280 0.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6776 1.7561 0.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6702 -0.6577 -1.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5664 0.8587 -1.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5168 -2.2243 0.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5776 -1.0922 1.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9557 -2.2517 0.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3424 -2.8668 1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9111 0.8844 1.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2047 0.7214 1.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2512 -0.0331 -0.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3018 1.4743 -0.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9922 -1.9162 1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4470 -1.9991 -0.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 7 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 10 3 1 0 27 22 1 0 31 6 1 0 1 32 1 0 1 33 1 0 1 34 1 0 5 35 1 0 5 36 1 0 5 37 1 0 9 38 1 0 11 39 1 0 11 40 1 0 12 41 1 0 14 42 1 0 14 43 1 0 14 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 16 48 1 0 20 49 1 0 20 50 1 0 21 51 1 0 21 52 1 0 23 53 1 0 23 54 1 0 24 55 1 0 24 56 1 0 26 57 1 0 26 58 1 0 27 59 1 0 27 60 1 0 31 61 1 0 31 62 1 0 M END