HMDB0011403 RDKit 3D PE(P-18:1(11Z)/15:0) 121120 0 0 0 0 0 0 0 0999 V2000 -7.5846 3.7615 -0.7546 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3500 3.8411 0.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8574 3.8846 1.5483 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7183 3.9843 2.5184 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8163 2.8088 2.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6639 2.8726 3.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1988 2.9207 4.7719 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9815 2.0329 5.6835 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1596 0.8330 5.5038 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9917 -0.4270 5.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2493 -1.6762 5.5906 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4487 -1.8127 4.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7810 -3.1359 4.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 -3.4274 3.1834 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1685 -3.3737 1.7637 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4079 -2.0437 1.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6776 -2.2676 -0.3659 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5765 -1.6647 -1.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4236 -0.7052 -0.5182 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9270 0.3345 -1.3825 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 1.0953 -1.9218 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2097 2.2162 -2.8652 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0647 3.1319 -2.2727 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4306 4.3499 -3.4335 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.0355 3.7419 -4.6495 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4514 5.4567 -2.6835 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9935 5.1950 -3.8018 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7381 6.1617 -2.8212 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4617 6.8630 -3.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1182 7.8973 -2.2156 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9040 0.2253 -2.6171 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 0.1733 -2.3758 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0722 0.9364 -1.4994 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 -0.7441 -3.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7989 -0.5436 -2.9158 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3924 -0.6764 -1.5823 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2559 -2.0054 -0.9212 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -2.1135 0.4166 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3208 -1.8863 0.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2075 -2.8026 -0.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1014 -4.2288 0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9389 -5.2118 -0.6623 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3952 -5.1923 -0.5568 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2079 -4.0395 -0.9466 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0575 -3.5695 -2.3593 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9916 -2.3760 -2.5485 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6889 -1.2382 -1.6314 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1665 2.8754 -0.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2789 3.6348 -1.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2172 4.6605 -0.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7054 4.7054 -0.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7523 2.9087 -0.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6066 4.7042 1.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3526 2.8861 1.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1918 3.9958 3.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1699 4.9572 2.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3761 1.8954 2.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3627 2.7469 1.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9947 2.0646 3.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1795 3.8692 3.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8290 3.8055 5.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4559 2.1991 6.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4964 0.8244 4.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4462 0.7954 6.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5026 -0.3210 6.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8108 -0.4542 4.8906 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9522 -2.5574 5.6691 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5243 -1.8433 6.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7397 -1.0063 4.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2534 -1.8207 3.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2844 -3.3313 5.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6140 -3.9351 4.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3251 -4.4301 3.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0343 -2.6783 3.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 -3.8747 1.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0263 -4.0856 1.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5153 -1.3901 1.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2348 -1.5161 1.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0455 -3.0169 -0.8555 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6872 -1.9085 -2.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6508 0.9562 -0.8214 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4332 -0.1861 -2.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2218 1.6065 -1.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3115 2.7763 -3.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7568 1.7241 -3.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7718 6.0845 -3.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6345 5.6955 -1.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5369 6.9387 -2.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5470 7.3657 -4.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6151 6.1170 -3.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2412 7.5671 -1.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1332 8.1401 -2.3713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0171 -1.8034 -3.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1627 -0.4898 -4.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3193 -1.1980 -3.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0316 0.4943 -3.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4783 -0.3675 -1.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9866 0.0773 -0.8773 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1686 -2.1989 -0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6333 -2.8497 -1.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 -1.3573 1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5506 -3.1002 0.8553 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5400 -0.8329 0.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5849 -1.9740 1.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2349 -2.4345 -0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9245 -2.6648 -1.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3830 -4.4008 1.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0162 -4.5916 0.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5754 -5.3528 -1.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6224 -6.2289 -0.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8146 -6.1049 -1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6524 -5.4199 0.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2965 -3.2609 -0.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3014 -4.4539 -0.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3598 -4.3582 -3.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0531 -3.2235 -2.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9339 -1.9999 -3.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0373 -2.6895 -2.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2241 -1.3334 -0.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1435 -0.3193 -2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6218 -1.0069 -1.5199 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 2 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 2 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 24 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 21 31 1 0 31 32 1 0 32 33 2 0 32 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 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 3 54 1 0 4 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 9 63 1 0 9 64 1 0 10 65 1 0 10 66 1 0 11 67 1 0 11 68 1 0 12 69 1 0 12 70 1 0 13 71 1 0 13 72 1 0 14 73 1 0 14 74 1 0 15 75 1 0 15 76 1 0 16 77 1 0 16 78 1 0 17 79 1 0 18 80 1 0 20 81 1 0 20 82 1 0 21 83 1 1 22 84 1 0 22 85 1 0 26 86 1 0 28 87 1 0 28 88 1 0 29 89 1 0 29 90 1 0 30 91 1 0 30 92 1 0 34 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 47121 1 0 M END