HMDB0008956 RDKit 3D PE(16:1(9Z)/16:0) 119118 0 0 0 0 0 0 0 0999 V2000 14.5524 -0.0975 1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4689 0.9060 1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9882 1.1005 -0.2732 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5013 -0.2313 -0.7742 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7050 -0.0540 -2.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0028 -1.4455 -2.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6651 -1.8564 -0.8347 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6853 -1.4247 -0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7031 -0.3910 -0.6118 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3703 -1.1119 -0.5374 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1910 -0.2660 -0.9124 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7678 0.6394 0.2104 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3076 -0.1409 1.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0738 -0.9067 1.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6624 -1.8146 0.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1984 -1.3477 -1.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6245 -1.9611 -2.0783 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3537 -0.3182 -1.2977 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8998 0.2515 -2.4755 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8034 1.2998 -2.0429 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2143 1.7087 -0.6365 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1386 2.2217 0.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6519 1.9318 1.7772 P 0 0 0 0 0 5 0 0 0 0 0 0 1.3140 0.3800 1.4786 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9309 2.7343 2.2383 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5168 1.4230 2.7320 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8382 1.4660 2.5476 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2750 -0.0439 2.6049 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8466 -0.6354 3.8200 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3227 0.3878 -1.6608 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4489 0.5810 -2.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3617 1.2889 -3.4729 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6815 -0.1841 -2.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6209 0.9987 -1.8061 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9394 0.7368 -1.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8623 0.0979 0.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3470 0.0640 0.5461 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5321 -0.6175 1.8487 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0208 -0.5432 2.1538 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6888 -0.9295 0.8267 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1633 -1.1346 0.9398 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6796 -1.1920 -0.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1658 -1.5866 -0.4342 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8785 -0.7643 0.5379 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0937 0.6751 0.3573 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0358 1.1511 -0.6725 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8363 0.8444 -2.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8292 -0.5703 0.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4375 0.2865 1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1747 -0.9349 1.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7710 1.8767 1.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5327 0.5356 1.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7818 1.5038 -0.8983 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1215 1.8131 -0.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9489 -0.7102 0.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4149 -0.8396 -1.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3436 0.0841 -2.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9525 0.7234 -2.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7639 -2.1202 -2.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1517 -1.3378 -2.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3116 -2.6302 -0.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5606 -1.7811 0.9075 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8010 0.4823 -0.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8562 -0.2315 -1.7224 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2990 -1.3898 0.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3375 -2.0690 -1.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4628 -0.8084 -1.4419 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5905 0.4796 -1.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6428 1.2553 0.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9900 1.3757 -0.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1055 0.6692 2.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1263 -0.7467 1.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9175 -1.4464 2.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2421 -0.1079 1.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5165 0.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5440 -2.5382 0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6602 0.8477 -3.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4485 -0.4704 -3.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5192 1.9380 -2.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8911 2.6221 -0.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7437 0.9499 -0.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6229 2.3394 2.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2295 1.8916 1.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3690 1.9176 3.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3489 -0.0685 2.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9037 -0.5153 1.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2978 -1.6096 3.9093 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -0.8831 3.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4639 -0.6920 -1.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0854 -0.8332 -2.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6478 1.5592 -2.7897 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0468 1.7213 -1.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5818 1.6260 -1.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5651 0.0235 -1.8835 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3186 0.8415 0.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3917 -0.8731 0.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7862 -0.6154 -0.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7184 1.0806 0.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1638 -1.6328 1.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0038 -0.0710 2.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2705 -1.3044 2.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3304 0.4774 2.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5821 -0.0661 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2236 -1.8543 0.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5798 -0.1958 1.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4826 -2.0307 1.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5324 -0.1801 -0.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0702 -1.9043 -1.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2082 -2.6773 -0.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5294 -1.4314 -1.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9278 -1.2251 0.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4757 -0.9766 1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4919 1.0829 1.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1000 1.2513 0.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1499 2.2656 -0.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0566 0.7004 -0.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8738 1.1143 -2.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5860 1.5062 -2.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2034 -0.1840 -2.3822 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 2 0 16 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 2 0 23 25 1 0 23 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 20 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 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 19 77 1 0 19 78 1 0 20 79 1 6 21 80 1 0 21 81 1 0 25 82 1 0 27 83 1 0 27 84 1 0 28 85 1 0 28 86 1 0 29 87 1 0 29 88 1 0 33 89 1 0 33 90 1 0 34 91 1 0 34 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 47119 1 0 M END