HMDB0261968 RDKit 3D PE(20:1(11Z)/20:4(6E,8Z,11Z,14Z)+=O(5)) 134133 0 0 0 0 0 0 0 0999 V2000 -4.3268 -1.9724 -2.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3184 -0.8570 -1.7948 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5939 0.4429 -1.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6224 1.5061 -1.2344 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9866 2.8606 -0.8807 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0842 3.8071 -0.6759 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2038 4.9066 -1.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3637 5.4041 -2.4307 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6804 6.6986 -2.3123 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5969 7.5394 -1.3473 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1609 7.4842 0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0768 7.6735 1.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7579 6.8185 1.9421 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4212 5.5460 2.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0111 4.7520 3.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6254 3.4605 3.3084 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5923 3.1560 2.5095 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2721 2.4754 4.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9806 2.6485 5.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7424 2.5782 4.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5429 1.2614 3.5321 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3677 0.3230 3.6183 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 1.0533 2.7672 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0694 -0.0732 2.0604 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2010 -0.7365 2.5047 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0507 -1.2392 3.8124 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1919 -1.8519 4.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2183 -1.8476 3.6171 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3078 -2.4804 5.6571 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6124 -3.9473 5.6393 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6414 -4.8374 5.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3465 -4.8471 3.5767 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2595 -5.3192 2.5595 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6139 -4.7718 2.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2387 -5.5275 1.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5953 -5.2347 0.7316 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0428 -3.8733 0.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0150 -2.8715 1.3458 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3508 -1.7739 1.2976 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5041 -1.3398 0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9865 -0.0227 -0.3531 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3050 0.0595 -0.9495 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7234 -0.7209 -2.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0089 -0.5888 -3.3992 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5953 -0.9770 -3.4952 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1616 -0.7047 -4.9559 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3071 0.7387 -5.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0787 0.1061 0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 -1.1219 0.0284 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3766 -1.2158 -1.6315 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.9650 -1.4487 -2.2898 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1049 0.1498 -2.3444 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3674 -2.5347 -2.0392 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6359 -3.5811 -2.6077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5359 -4.7525 -2.9427 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5638 -4.3804 -3.8801 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6963 -2.1774 -1.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6788 -1.6717 -2.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8436 -2.8957 -2.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9485 -0.6859 -2.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9100 -1.1120 -0.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9942 0.2191 -0.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9410 0.7504 -2.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2363 1.1662 -0.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3324 1.5892 -2.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3564 3.1321 -1.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3873 2.6985 0.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8496 3.5711 0.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1191 5.5046 -1.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6322 4.6333 -2.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0569 5.5091 -3.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1114 7.0393 -3.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0032 8.4899 -1.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7965 8.4227 0.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8002 6.6586 0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5471 8.6205 0.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9283 7.1248 2.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2278 5.2287 1.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2089 5.0631 3.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4075 1.4222 3.9574 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0785 2.5543 5.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0013 3.5857 5.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8853 1.8355 5.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7432 3.3430 3.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8216 2.8121 4.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8819 -0.8335 2.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4231 -1.5636 1.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0835 -0.0644 2.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1765 -1.9934 6.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4399 -2.2392 6.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7462 -4.3188 6.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6680 -4.0283 5.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6687 -4.7535 5.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9453 -5.9101 5.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8476 -3.8583 3.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4064 -5.5379 3.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 -5.2284 1.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3332 -6.4612 2.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4736 -3.7362 1.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3300 -4.7522 3.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1450 -6.6346 1.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5573 -5.3293 0.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8731 -5.9819 -0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2718 -5.5762 1.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1339 -3.9898 -0.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4722 -3.6172 -0.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6367 -3.0893 2.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4081 -1.0693 2.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5033 -1.0718 0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2281 -2.0650 -0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1857 0.5313 -0.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0638 0.6211 0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4823 1.1533 -1.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1048 -0.0870 -0.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9036 -1.8232 -1.8735 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7938 -0.4017 -2.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0877 0.4666 -3.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5736 -1.1974 -4.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8837 -0.5010 -2.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5536 -2.1056 -3.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8691 -1.2721 -5.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1016 -1.0018 -5.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2258 0.9546 -5.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1749 1.4170 -4.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4571 1.0018 -5.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5558 0.9338 0.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1328 0.2881 0.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3906 0.7525 -2.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1539 -3.2872 -3.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1569 -3.9606 -1.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8969 -5.5840 -3.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9904 -5.1094 -1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2944 -5.0954 -4.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1294 -4.1290 -4.7854 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 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 2 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 24 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 15 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 20 84 1 0 20 85 1 0 24 86 1 6 25 87 1 0 25 88 1 0 29 89 1 0 29 90 1 0 30 91 1 0 30 92 1 0 31 93 1 0 31 94 1 0 32 95 1 0 32 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 52128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 56133 1 0 56134 1 0 M END