HMDB0000795 RDKit 3D Pristanic acid 59 58 0 0 0 0 0 0 0 0999 V2000 -6.5866 -2.4689 -0.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4576 -1.3029 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3329 -0.1718 -0.7363 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0330 -0.8605 -1.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3626 -0.4466 -0.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9613 -0.0338 -0.5006 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2008 0.4076 0.6972 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0275 -0.6123 1.7701 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 0.9679 0.3184 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1534 1.3901 1.6144 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1751 1.9768 1.3132 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 1.0046 0.5942 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3294 -0.1663 1.4783 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2971 1.7869 0.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3683 1.1718 -0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0434 0.0236 0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1811 -0.5355 -0.8084 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2505 0.4521 -1.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6706 -1.1622 -2.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4346 -1.2333 -2.2223 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5592 -1.6556 -2.9564 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2653 -3.2638 -0.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6376 -2.9453 -0.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0757 -2.1732 0.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8488 -1.6097 -2.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3974 -0.4951 -0.8452 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0967 0.7175 -1.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1860 0.0174 0.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0486 0.0258 -2.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4198 -1.6385 -1.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3011 -1.2876 0.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8680 0.4469 0.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3981 -0.8723 -0.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9519 0.7994 -1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7565 1.2905 1.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7566 -1.4217 1.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 -1.1200 1.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9561 -0.0948 2.7733 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2537 0.1930 -0.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0035 1.8063 -0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0943 0.5542 2.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8248 2.1667 2.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7101 2.2866 2.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9969 2.8875 0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6141 0.6678 -0.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2158 -1.1561 1.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3125 -0.1089 2.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5853 -0.1377 2.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8930 2.6793 -0.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7169 2.2739 1.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1925 1.9602 -0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0813 0.9675 -1.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4226 0.2327 1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3383 -0.8530 0.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5708 -1.3999 -0.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2721 -0.0046 -0.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2108 1.2565 -0.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1578 0.9496 -2.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4183 -2.1289 -2.7585 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 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 2 0 19 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 9 40 1 0 10 41 1 0 10 42 1 0 11 43 1 0 11 44 1 0 12 45 1 0 13 46 1 0 13 47 1 0 13 48 1 0 14 49 1 0 14 50 1 0 15 51 1 0 15 52 1 0 16 53 1 0 16 54 1 0 17 55 1 0 18 56 1 0 18 57 1 0 18 58 1 0 21 59 1 0 M END