HMDB0038842 RDKit 3D Longamide 93 92 0 0 0 0 0 0 0 0999 V2000 12.4867 0.6430 -3.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6690 0.1581 -1.9914 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1723 -1.1851 -2.3171 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4572 -2.0018 -1.3444 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2121 -1.5458 -0.6719 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4256 -0.4516 0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2753 0.1110 1.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1610 0.7658 0.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2771 0.1245 -0.5943 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5527 -1.0911 -0.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6557 -0.9164 1.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 0.1061 0.7109 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6575 0.2577 1.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6087 1.2689 1.6404 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7204 0.9616 0.4903 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0439 -0.3305 0.6539 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9283 -0.3104 1.8802 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9503 0.7823 1.8492 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8802 0.6488 0.6656 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8712 1.7853 0.7087 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8572 1.7517 -0.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6728 0.4811 -0.4185 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6475 0.5173 -1.5775 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5861 1.6673 -1.5089 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4074 1.6746 -0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2841 0.4958 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3673 -0.3370 -1.0495 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0726 0.2629 1.0275 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.9300 -0.8889 1.1561 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0041 -0.9620 0.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8475 -2.2148 0.3381 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9040 0.2412 0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9503 1.6056 -2.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2532 -0.1278 -3.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7679 0.7283 -4.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3124 0.2850 -1.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8300 0.9328 -1.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1016 -1.7828 -2.6625 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6102 -1.1417 -3.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1915 -2.3225 -0.5065 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2795 -3.0468 -1.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5135 -1.2824 -1.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8027 -2.4895 -0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1140 0.3093 -0.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0964 -0.9292 1.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9344 -0.6306 1.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7490 0.9033 1.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5716 1.7071 -0.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5277 1.2491 1.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4471 0.8948 -0.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7211 0.0308 -1.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1881 -2.0020 -0.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8499 -1.3525 -1.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1968 -1.8939 1.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1990 -0.5590 1.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9911 1.0908 0.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9286 -0.2246 -0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2655 -0.7308 2.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2683 0.6185 2.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0612 1.5063 2.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1440 2.2264 1.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3024 0.9061 -0.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0085 1.8037 0.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6347 -1.1769 0.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6471 -0.4812 -0.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3233 -0.3221 2.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4944 -1.2814 1.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5510 0.6958 2.7774 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5045 1.7966 1.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4759 -0.2980 0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3631 0.6172 -0.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4425 1.6762 1.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3750 2.7602 0.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2942 1.8456 -1.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5316 2.6236 -0.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9757 -0.3757 -0.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1632 0.3471 0.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0261 0.6250 -2.5108 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1999 -0.4312 -1.5993 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2977 1.5414 -2.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0988 2.6480 -1.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7732 1.6759 0.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0379 2.5965 -0.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9853 0.9897 1.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4373 -0.8341 2.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3569 -1.8388 1.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5735 -1.0478 -0.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3153 -2.9580 0.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1495 -2.6368 -0.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7652 -1.8887 0.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3554 0.3361 -0.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6852 0.1393 0.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2782 1.1401 0.2707 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 7 8 1 0 8 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 1 0 16 17 1 0 17 18 1 0 18 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 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 1 33 1 0 1 34 1 0 1 35 1 0 2 36 1 0 2 37 1 0 3 38 1 0 3 39 1 0 4 40 1 0 4 41 1 0 5 42 1 0 5 43 1 0 6 44 1 0 6 45 1 0 7 46 1 0 7 47 1 0 8 48 1 0 8 49 1 0 9 50 1 0 9 51 1 0 10 52 1 0 10 53 1 0 11 54 1 0 11 55 1 0 12 56 1 0 12 57 1 0 13 58 1 0 13 59 1 0 14 60 1 0 14 61 1 0 15 62 1 0 15 63 1 0 16 64 1 0 16 65 1 0 17 66 1 0 17 67 1 0 18 68 1 0 18 69 1 0 19 70 1 0 19 71 1 0 20 72 1 0 20 73 1 0 21 74 1 0 21 75 1 0 22 76 1 0 22 77 1 0 23 78 1 0 23 79 1 0 24 80 1 0 24 81 1 0 25 82 1 0 25 83 1 0 28 84 1 0 29 85 1 0 29 86 1 0 30 87 1 0 31 88 1 0 31 89 1 0 31 90 1 0 32 91 1 0 32 92 1 0 32 93 1 0 M END