HMDB0069138 RDKit 3D TG(22:0/a-21:0/a-21:0)[rac] 203202 0 0 0 0 0 0 0 0999 V2000 0.2605 3.2028 9.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8439 1.8320 9.5131 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4498 1.2659 8.2479 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4102 1.1292 7.1708 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0878 0.5784 5.9232 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1146 0.4011 4.7852 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9225 -0.1130 3.6066 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0969 -0.3682 2.3915 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6501 0.8748 1.8915 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3917 0.4629 0.6826 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2524 1.5270 0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8406 0.8772 -1.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7541 1.7537 -2.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2710 1.1966 -3.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3867 1.0992 -4.4663 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0850 0.4399 -4.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2328 0.2400 -5.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1049 -0.3022 -5.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8623 0.7484 -4.3105 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2191 0.2678 -3.7566 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9710 1.4102 -3.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2960 2.1841 -2.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3439 1.8178 -0.9272 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6012 3.3252 -2.4139 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9318 4.1819 -1.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 4.9496 -0.5641 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8077 5.7705 -1.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8064 4.8755 -1.6066 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9511 5.1160 -2.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1038 6.2757 -2.7851 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9138 3.9961 -2.5689 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7631 4.2389 -3.7618 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8046 3.1000 -3.8768 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1201 1.7857 -3.8737 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0556 0.5773 -3.9328 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1888 -0.6796 -3.7993 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9498 -1.9519 -3.7728 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9979 -3.1520 -3.5848 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2219 -2.9991 -2.3189 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2840 -4.0756 -1.9463 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 -5.4290 -1.7034 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -6.3146 -1.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1078 -7.7056 -0.9766 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9393 -8.5651 -0.5691 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3881 -9.9487 -0.1767 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2966 -10.0037 0.9808 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8437 -9.5324 2.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4146 -8.1414 2.4942 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9894 -9.8275 3.2856 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6424 -9.3879 4.6713 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7645 5.8542 0.0334 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5404 5.9070 1.3732 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2049 5.1016 2.1218 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4006 6.8115 2.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2932 7.5600 1.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1701 6.7483 0.3268 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2751 5.9452 0.8315 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0436 4.8694 1.8263 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3846 4.1488 2.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1895 3.0829 3.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4743 2.3458 3.4402 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2467 1.3012 4.5053 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2481 0.2589 4.1433 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5964 -0.5737 2.9395 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8835 -1.3433 3.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1532 -2.1631 1.8915 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4196 -2.9667 2.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6919 -3.7788 0.8644 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8994 -2.9603 -0.3771 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1556 -3.8719 -1.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3803 -3.0809 -2.8185 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1748 -4.9292 -1.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5374 -4.3905 -0.9442 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5315 3.5978 8.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8389 3.2222 9.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6502 3.9582 10.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6394 1.9559 10.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1146 1.1221 9.9369 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9260 0.2835 8.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2919 1.9414 7.9526 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3597 0.4311 7.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 2.1509 6.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9317 1.2498 5.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5621 -0.4017 6.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6136 -0.3557 5.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3241 1.3886 4.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7946 0.5296 3.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3315 -1.1053 3.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6868 -1.1110 2.6893 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7135 -0.7914 1.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0707 1.7049 1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3407 1.2098 2.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6706 0.1360 -0.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0494 -0.3944 0.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1144 1.7301 0.6888 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7236 2.4631 -0.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5527 0.0455 -0.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0898 0.2845 -1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6655 1.9943 -1.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2944 2.7792 -2.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2102 1.7416 -3.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6775 0.1431 -3.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2214 2.1198 -4.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9312 0.4553 -5.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2206 -0.5567 -3.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4925 1.1301 -3.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7591 -0.4572 -6.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1586 1.2334 -5.9467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7088 -0.6453 -5.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1106 -1.1323 -4.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1688 1.5806 -5.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3103 1.2502 -3.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9695 -0.4889 -3.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7613 -0.2182 -4.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9796 1.0498 -2.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1873 2.1107 -4.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4606 4.9790 -2.2549 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1246 3.6490 -1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1524 4.3308 0.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1231 6.5245 -0.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 6.3355 -2.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5866 3.9002 -1.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2697 3.0891 -2.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3622 5.1548 -3.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2129 4.3731 -4.7132 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2990 3.2606 -4.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5421 3.2401 -3.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6215 1.6682 -2.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3370 1.6662 -4.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7906 0.5629 -3.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5943 0.4945 -4.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3804 -0.6367 -4.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7069 -0.5393 -2.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6925 -2.0189 -2.9538 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4899 -2.0723 -4.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3960 -3.2120 -4.4869 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6477 -4.0443 -3.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8734 -2.7198 -1.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5733 -2.0748 -2.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3885 -4.1423 -2.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8120 -3.7632 -0.9626 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5178 -5.4180 -0.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3268 -5.9004 -2.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9061 -6.3357 -2.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1471 -5.8714 -0.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5814 -8.1027 -1.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9003 -7.7436 -0.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3095 -8.6903 -1.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3775 -8.0621 0.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9824 -10.3257 -1.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5374 -10.6670 -0.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2614 -9.5080 0.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6137 -11.0880 1.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0169 -10.2262 2.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3074 -7.9962 2.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9420 -7.3887 1.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7074 -7.8431 3.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8550 -9.2469 2.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1722 -10.9244 3.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5439 -9.4405 4.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1145 -10.0971 5.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0880 -8.4023 4.9047 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2442 7.5930 2.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9357 6.3270 2.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6771 8.3029 0.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9747 8.1754 1.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5428 7.4661 -0.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5332 6.0334 -0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7436 5.4393 -0.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1360 6.6208 1.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7843 5.3372 2.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2937 4.1576 1.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7197 3.7120 1.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1041 4.9249 2.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9036 3.6382 4.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3498 2.4246 2.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1689 3.0952 3.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9625 1.9479 2.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9900 1.8426 5.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2161 0.7837 4.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2518 0.7328 4.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0911 -0.4782 4.9867 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5753 -0.0205 1.9996 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7892 -1.3572 2.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7464 -0.6967 3.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7847 -2.0692 3.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1923 -1.4768 1.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3196 -2.8938 1.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2895 -2.3395 2.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1583 -3.7058 2.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8346 -4.4545 0.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5624 -4.4817 1.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9173 -2.4460 -0.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7078 -2.1984 -0.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1770 -4.4158 -1.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7701 -2.1673 -2.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0397 -3.6820 -3.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4673 -2.8794 -2.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7880 -5.6507 -0.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2553 -5.5124 -2.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5063 -3.6091 -0.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0226 -4.0143 -1.8625 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1173 -5.2378 -0.4936 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 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 26 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 70 72 1 0 72 73 1 0 1 74 1 0 1 75 1 0 1 76 1 0 2 77 1 0 2 78 1 0 3 79 1 0 3 80 1 0 4 81 1 0 4 82 1 0 5 83 1 0 5 84 1 0 6 85 1 0 6 86 1 0 7 87 1 0 7 88 1 0 8 89 1 0 8 90 1 0 9 91 1 0 9 92 1 0 10 93 1 0 10 94 1 0 11 95 1 0 11 96 1 0 12 97 1 0 12 98 1 0 13 99 1 0 13100 1 0 14101 1 0 14102 1 0 15103 1 0 15104 1 0 16105 1 0 16106 1 0 17107 1 0 17108 1 0 18109 1 0 18110 1 0 19111 1 0 19112 1 0 20113 1 0 20114 1 0 21115 1 0 21116 1 0 25117 1 0 25118 1 0 26119 1 1 27120 1 0 27121 1 0 31122 1 0 31123 1 0 32124 1 0 32125 1 0 33126 1 0 33127 1 0 34128 1 0 34129 1 0 35130 1 0 35131 1 0 36132 1 0 36133 1 0 37134 1 0 37135 1 0 38136 1 0 38137 1 0 39138 1 0 39139 1 0 40140 1 0 40141 1 0 41142 1 0 41143 1 0 42144 1 0 42145 1 0 43146 1 0 43147 1 0 44148 1 0 44149 1 0 45150 1 0 45151 1 0 46152 1 0 46153 1 0 47154 1 0 48155 1 0 48156 1 0 48157 1 0 49158 1 0 49159 1 0 50160 1 0 50161 1 0 50162 1 0 54163 1 0 54164 1 0 55165 1 0 55166 1 0 56167 1 0 56168 1 0 57169 1 0 57170 1 0 58171 1 0 58172 1 0 59173 1 0 59174 1 0 60175 1 0 60176 1 0 61177 1 0 61178 1 0 62179 1 0 62180 1 0 63181 1 0 63182 1 0 64183 1 0 64184 1 0 65185 1 0 65186 1 0 66187 1 0 66188 1 0 67189 1 0 67190 1 0 68191 1 0 68192 1 0 69193 1 0 69194 1 0 70195 1 0 71196 1 0 71197 1 0 71198 1 0 72199 1 0 72200 1 0 73201 1 0 73202 1 0 73203 1 0 M END