HMDB0285330 RDKit 3D PE(P-18:0/18:1(12Z)-O(9S,10R)) 129129 0 0 0 0 0 0 0 0999 V2000 -16.3999 2.4713 2.5123 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7579 3.5848 3.2256 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4232 4.0660 2.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2614 3.1604 2.8822 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3381 1.9687 1.9387 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4253 2.4031 0.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6280 2.1292 -0.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4419 1.2952 -0.3266 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1660 2.0527 -0.6872 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8432 3.1630 0.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0578 2.0143 0.2688 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6499 2.0668 -0.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5156 0.8923 -1.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7155 -0.4490 -0.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5859 -1.5586 -1.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3524 -1.7159 -2.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0577 -1.9805 -1.6863 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5076 -0.9483 -0.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1642 -1.5082 -0.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1172 -2.3885 0.5380 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0334 -1.0201 -0.9215 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 -1.5807 -0.5276 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0800 -0.4150 -0.1114 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3274 -0.7062 0.3732 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3687 -1.2972 -0.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0932 -2.3177 0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2186 -2.8771 -0.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4612 -2.9025 0.3411 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8567 -1.5095 0.7986 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1504 -1.6958 1.5678 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7155 -0.4709 2.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0498 0.6417 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0535 0.2248 0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3664 1.4198 -0.7241 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9830 2.5403 0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2678 2.0710 0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8192 3.2155 1.5721 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1002 2.8369 2.2748 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2209 2.4509 1.3737 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6366 3.5606 0.4354 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7679 3.1529 -0.4482 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4704 1.9737 -1.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2893 -2.2773 -1.7897 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8885 -2.9415 -1.7471 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1886 -3.7352 -3.2245 P 0 0 0 0 0 5 0 0 0 0 0 0 2.6329 -4.1011 -3.2809 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8055 -2.8080 -4.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1949 -5.1357 -3.1544 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8172 -6.0092 -2.2319 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0362 -7.2317 -2.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3565 -6.8247 -1.5998 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.3797 1.5000 3.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1751 2.3547 1.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5271 2.6924 2.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8384 3.3646 4.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4549 4.4898 3.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2141 4.9772 3.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4572 4.5437 1.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3649 3.7505 2.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9651 2.8537 3.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2073 1.3589 2.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4503 1.3103 2.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2907 3.0655 0.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8662 2.5567 -1.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5185 0.5020 -1.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2650 0.8377 0.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9773 2.1807 -1.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1648 1.5552 1.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9328 1.9195 0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4592 2.9759 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3156 1.0261 -2.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5182 0.9042 -1.7675 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8458 -0.4675 -0.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2388 -0.5708 0.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8684 -2.5235 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4719 -1.4541 -2.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5410 -2.5551 -3.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1838 -0.8274 -3.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2659 -2.0879 -2.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0447 -3.0004 -1.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2976 -0.0333 -1.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0664 -0.8003 0.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8749 -2.3438 0.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1075 0.2887 -1.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5483 0.1279 0.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7078 -0.9446 -1.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8148 -2.7011 1.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3534 -2.2896 -1.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9929 -3.9252 -0.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3185 -3.2868 -0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3553 -3.5856 1.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9436 -0.8159 -0.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0679 -1.1193 1.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9055 -2.3979 2.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9103 -2.2341 0.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6559 -0.7410 2.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0388 -0.0508 2.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1729 1.1218 0.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5286 1.4558 1.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5091 -0.5209 -0.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9368 -0.2803 0.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3893 1.8301 -1.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0108 1.1601 -1.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2733 3.3271 -0.6503 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2781 3.0105 0.7986 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0216 1.8414 -0.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1371 1.1860 1.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0599 3.4328 2.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8910 4.0949 0.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8596 1.9239 2.8981 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3821 3.6234 2.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0982 2.2271 2.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9221 1.5823 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7740 3.8323 -0.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0157 4.3968 1.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7013 2.9614 0.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0224 4.0141 -1.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7618 2.2239 -2.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1970 1.0642 -0.7991 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4426 1.7284 -1.8583 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3002 -1.5193 -2.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0738 -3.0243 -2.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1386 -2.5154 -4.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8031 -6.2958 -2.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9394 -5.4574 -1.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1775 -7.7611 -3.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4442 -7.9611 -1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9368 -7.6992 -1.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2041 -6.3330 -0.6891 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 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 28 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 1 0 39 40 1 0 40 41 1 0 41 42 1 0 22 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 11 9 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 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 17 80 1 0 18 81 1 0 18 82 1 0 22 83 1 1 23 84 1 0 23 85 1 0 25 86 1 0 26 87 1 0 27 88 1 0 27 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 47123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 51128 1 0 51129 1 0 M END