HMDB0050550 RDKit 3D TG(20:1(11Z)/22:1(13Z)/24:1(15Z)) 203202 0 0 0 0 0 0 0 0999 V2000 -6.7705 -9.3426 -1.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8664 -8.2492 -1.6622 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5217 -7.3165 -2.6938 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7282 -6.6720 -2.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4581 -5.7156 -3.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5256 -4.6246 -3.4365 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1417 -3.5640 -4.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0342 -2.5729 -4.7235 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4107 -1.9651 -3.5486 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1549 -2.1647 -3.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2464 -2.9915 -3.9856 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9478 -2.3506 -4.4373 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0996 -3.3927 -5.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7296 -2.7710 -5.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2028 -3.7295 -6.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6094 -3.1139 -6.1152 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0029 -2.6682 -4.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4471 -2.2802 -4.5574 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3434 -3.4985 -4.7147 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7919 -3.2240 -4.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9415 -2.6936 -2.9951 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3842 -2.4702 -2.6262 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5315 -1.9066 -1.2528 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0215 -2.7155 -0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3060 -2.0560 0.7168 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1519 -4.0012 0.1392 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8312 -4.9434 1.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4089 -5.1423 1.5181 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4820 -5.5523 0.4296 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9909 -4.4323 -0.2626 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6516 -3.8447 0.4336 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4730 -4.5182 1.2591 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4045 -2.6954 -0.4664 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9313 -2.2126 -0.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 -1.0611 -1.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7173 -0.5459 -1.1198 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 0.6237 -2.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0218 1.7909 -1.6896 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4356 2.3920 -0.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7845 3.0326 -0.4301 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1550 3.6238 0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3213 2.5844 1.9444 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4253 2.3677 2.6673 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5943 3.2183 2.4704 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8350 2.5624 1.9396 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9508 3.5879 1.8084 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2133 2.9681 1.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2313 4.0415 1.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5495 3.8418 0.5988 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3742 2.7451 1.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7936 1.3916 0.8994 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9855 -4.1314 2.3662 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8299 -4.3298 3.7217 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0159 -5.4573 4.2226 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4573 -3.2000 4.6117 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1015 -2.0410 3.7007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9368 -0.7715 4.4908 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5477 0.3101 3.4917 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5294 0.3690 2.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1819 1.4751 1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3344 2.8615 1.9225 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7776 3.8274 0.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9057 5.2503 1.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2879 5.8605 1.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1378 7.2910 1.7331 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1068 7.1953 3.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2550 7.3786 4.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8313 7.7972 3.8375 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0284 6.6565 4.5172 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5714 6.7962 4.3322 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0983 5.5493 4.9978 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3654 4.3018 4.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2524 3.0768 4.9236 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1636 2.9179 6.3749 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4137 1.6735 7.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3081 -9.1519 -0.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1526 -10.2730 -1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5479 -9.5670 -1.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8771 -8.6075 -2.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6597 -7.5899 -0.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8036 -7.9756 -3.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7202 -6.5928 -2.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4558 -7.4292 -1.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3675 -6.1121 -1.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3873 -5.3551 -2.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7808 -6.2829 -3.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1935 -4.0642 -2.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6321 -5.0703 -3.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9348 -3.0155 -3.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5207 -3.9953 -5.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4111 -2.9304 -5.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6468 -1.7192 -5.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0620 -1.3235 -2.9245 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7663 -1.6450 -2.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6779 -3.4875 -4.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9061 -3.8683 -3.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0915 -1.4593 -5.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3352 -2.0423 -3.5687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0044 -4.3255 -4.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5753 -3.6722 -6.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7779 -1.8542 -6.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3641 -2.4886 -4.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3488 -4.6637 -5.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -3.9778 -7.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5794 -2.2021 -6.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3244 -3.8162 -6.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7394 -3.4240 -3.9545 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4277 -1.7049 -4.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5972 -1.8288 -3.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7149 -1.5322 -5.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9425 -4.3067 -4.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 -3.8742 -5.7515 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1715 -2.4475 -5.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4112 -4.1257 -4.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4968 -3.4466 -2.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4319 -1.6869 -2.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0213 -3.3665 -2.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7822 -1.6925 -3.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6285 -1.7043 -1.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0036 -0.9017 -1.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1059 -5.9652 0.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4431 -4.9210 1.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5193 -6.0716 2.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0117 -6.2366 -0.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -6.1527 0.7994 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4229 -2.9965 -1.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0637 -1.8508 -0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8578 -1.8454 0.8051 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2832 -3.0638 -0.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 -0.1969 -0.7174 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1117 -1.2015 -2.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -1.3560 -1.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 -0.2756 -0.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7041 0.3336 -3.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9663 0.9238 -2.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0902 2.6150 -2.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0479 1.5023 -1.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3276 3.0784 0.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4993 1.5603 0.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7854 3.8534 -1.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5416 2.2985 -0.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9896 4.2894 0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2978 4.2732 1.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4639 1.9321 2.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4086 1.5492 3.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4202 4.2086 2.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9024 3.4975 3.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6772 1.9806 1.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2557 1.8034 2.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2070 3.9221 2.8264 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5892 4.3778 1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5028 2.1276 1.8214 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0095 2.6843 0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3031 4.4206 2.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7360 4.9521 0.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1689 4.8070 0.7346 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4540 3.7244 -0.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4427 2.8015 0.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4632 2.8604 2.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9819 1.4144 0.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4525 0.8643 1.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6508 0.7716 0.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3056 -2.9175 5.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5907 -3.4477 5.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1403 -2.2467 3.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9224 -1.8834 2.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1316 -0.8962 5.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9100 -0.5444 4.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5279 1.2558 4.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5526 0.0723 3.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5731 0.4097 2.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3049 -0.5851 1.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1314 1.2721 1.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8148 1.3354 0.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3598 3.1005 2.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7154 2.8865 2.8717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6660 3.6072 0.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2277 3.5835 -0.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3962 5.5209 2.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3376 5.8163 0.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6783 5.9216 0.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9800 5.2563 1.7817 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2584 7.7727 1.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0264 7.8820 1.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1445 6.8722 3.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5306 7.2295 5.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 8.7443 4.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5627 7.7525 2.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3137 6.6627 5.6262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3971 5.7175 4.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3073 6.8403 3.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2055 7.6511 4.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2784 5.5248 6.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1695 5.6224 4.9373 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.1585 4.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0103 4.3712 3.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1197 2.1582 4.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3471 3.1088 4.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2297 3.7851 6.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2801 2.9254 6.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4218 0.9934 7.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0657 1.1604 6.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9754 1.8907 7.9521 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 2 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 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 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 2 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 28 52 1 0 52 53 1 0 53 54 2 0 53 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 2 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 71 72 1 0 72 73 1 0 73 74 1 0 74 75 1 0 1 76 1 0 1 77 1 0 1 78 1 0 2 79 1 0 2 80 1 0 3 81 1 0 3 82 1 0 4 83 1 0 4 84 1 0 5 85 1 0 5 86 1 0 6 87 1 0 6 88 1 0 7 89 1 0 7 90 1 0 8 91 1 0 8 92 1 0 9 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 22117 1 0 22118 1 0 23119 1 0 23120 1 0 27121 1 0 27122 1 0 28123 1 1 29124 1 0 29125 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 43145 1 0 44146 1 0 44147 1 0 45148 1 0 45149 1 0 46150 1 0 46151 1 0 47152 1 0 47153 1 0 48154 1 0 48155 1 0 49156 1 0 49157 1 0 50158 1 0 50159 1 0 51160 1 0 51161 1 0 51162 1 0 55163 1 0 55164 1 0 56165 1 0 56166 1 0 57167 1 0 57168 1 0 58169 1 0 58170 1 0 59171 1 0 59172 1 0 60173 1 0 60174 1 0 61175 1 0 61176 1 0 62177 1 0 62178 1 0 63179 1 0 63180 1 0 64181 1 0 64182 1 0 65183 1 0 65184 1 0 66185 1 0 67186 1 0 68187 1 0 68188 1 0 69189 1 0 69190 1 0 70191 1 0 70192 1 0 71193 1 0 71194 1 0 72195 1 0 72196 1 0 73197 1 0 73198 1 0 74199 1 0 74200 1 0 75201 1 0 75202 1 0 75203 1 0 M END