HMDB0011158 RDKit 3D PE(P-16:0/16:0) 120119 0 0 0 0 0 0 0 0999 V2000 -14.0095 4.8640 1.7711 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9814 4.7628 0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6343 3.2836 0.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6069 3.1586 -0.5858 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2265 1.7170 -0.8076 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6499 1.0952 0.4182 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2397 -0.3463 0.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1998 -0.4596 -0.8956 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9570 0.3410 -0.5657 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9709 0.2095 -1.6854 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7145 0.9786 -1.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9111 0.6106 -0.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4239 -0.8194 -0.2652 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5632 -1.0795 -1.4935 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3991 -0.1960 -1.5713 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1269 -0.6357 -1.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8779 -1.9569 -1.5553 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2567 -2.7787 -0.6392 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1843 -2.4209 -0.4108 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8903 -3.5224 0.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5761 -4.7353 -0.2346 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3124 -6.0174 0.5753 P 0 0 0 0 0 5 0 0 0 0 0 0 1.7576 -6.0508 1.9800 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9944 -5.8827 0.6062 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9229 -7.4410 -0.2663 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5396 -7.3901 -0.5191 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -8.6380 -1.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4264 -9.8053 -0.4566 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4334 -1.1666 0.1117 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1287 -0.1320 -0.4917 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5863 -0.3053 -1.6254 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2725 1.1208 0.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9016 2.1663 -0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1203 3.4528 0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9473 3.4590 1.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3691 3.0927 1.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7268 1.7402 0.7048 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2617 1.5243 0.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8563 1.7069 2.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3046 1.4588 2.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3215 2.2686 1.4976 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3925 2.3552 0.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5426 1.0439 -0.6842 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7897 0.2915 -0.3021 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0593 1.0470 -0.5992 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2158 0.1678 -0.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3599 5.9147 1.8281 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5035 4.5604 2.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8307 4.1640 1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0740 5.3382 0.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3781 5.1161 -0.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5419 2.7219 0.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1984 2.9183 1.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9850 3.6277 -1.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7062 3.7779 -0.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4831 1.7149 -1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1110 1.1837 -1.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4541 1.0542 1.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8601 1.7232 0.8192 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8556 -0.8142 1.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1252 -0.9245 -0.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9615 -1.5364 -1.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6527 -0.1351 -1.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5068 -0.1539 0.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1763 1.3653 -0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3926 0.5369 -2.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7610 -0.8833 -1.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9686 2.0563 -1.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0783 0.8447 -2.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0094 1.2673 -0.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4346 0.8524 0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2199 -1.5601 -0.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7563 -0.9194 0.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1626 -1.0243 -2.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1797 -2.1383 -1.4634 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5459 0.8770 -1.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3763 0.1327 -1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3175 -3.8392 -1.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8177 -2.8496 0.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6665 -2.4541 -1.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9654 -3.3644 0.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5081 -3.5781 1.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3582 -6.2110 1.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0418 -7.3465 0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2818 -6.4935 -1.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9617 -8.5859 -1.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6886 -8.6547 -2.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4161 -9.9376 0.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 -9.5489 0.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2604 1.4797 0.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9246 0.9480 1.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0194 2.3572 -1.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6515 1.7586 -1.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5049 4.1721 -0.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 3.9004 0.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5174 2.7824 2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8602 4.5079 1.6913 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8497 3.8088 0.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8199 3.3325 2.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3254 0.9552 1.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4341 1.4638 -0.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5999 2.2048 -0.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3666 0.4613 0.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6373 2.7857 2.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2772 1.0745 2.7462 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4893 0.3404 1.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5004 1.5300 3.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1714 3.3494 1.8606 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3706 1.9813 1.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3664 2.9553 -0.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5747 2.9381 -0.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5621 1.1589 -1.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6881 0.3885 -0.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8119 -0.0044 0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8203 -0.6367 -0.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1322 1.2421 -1.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1561 2.0007 -0.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0213 -0.8835 -0.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1587 0.4707 -0.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3265 0.2448 0.9169 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 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 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 2 0 22 24 1 0 22 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 19 29 1 0 29 30 1 0 30 31 2 0 30 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 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 3 53 1 0 4 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 6 59 1 0 7 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 9 65 1 0 10 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 12 71 1 0 13 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 16 77 1 0 18 78 1 0 18 79 1 0 19 80 1 6 20 81 1 0 20 82 1 0 24 83 1 0 26 84 1 0 26 85 1 0 27 86 1 0 27 87 1 0 28 88 1 0 28 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 46120 1 0 M END