HMDB0303179 RDKit 3D Butyl palmitate 62 61 0 0 0 0 0 0 0 0999 V2000 -8.4125 -1.0226 2.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2559 -1.8754 0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8817 -1.7921 0.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5221 -0.3929 -0.1884 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1050 -0.4791 -0.7747 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6398 0.8764 -1.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2577 0.8530 -1.8178 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2290 0.3534 -0.8222 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8757 0.3894 -1.4962 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2333 -0.1009 -0.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4164 0.6505 0.6466 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 2.0913 0.5266 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8231 2.5866 -0.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 2.1948 0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6297 0.7867 0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0795 0.7905 0.4599 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3271 1.2974 1.5696 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0931 0.2720 -0.3038 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4430 0.2568 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7519 -0.5501 1.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3790 -2.0165 1.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1918 -2.5479 -0.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5189 -0.8806 2.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9597 -1.5627 2.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9756 -0.0336 1.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0076 -1.5626 0.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4560 -2.9426 1.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8510 -2.4159 -0.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0967 -2.1379 0.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4374 0.3261 0.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1686 -0.0089 -1.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4672 -0.9200 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2103 -1.1157 -1.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6596 1.5794 -0.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3614 1.1974 -2.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2411 0.2097 -2.7236 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9591 1.8663 -2.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4112 -0.6762 -0.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2631 0.9877 0.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9604 -0.3179 -2.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6641 1.3826 -1.9526 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 -0.1689 -1.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0387 -1.1567 -0.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0846 0.1460 1.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6085 0.5811 1.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2316 2.6665 0.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7639 2.4797 1.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6383 2.3878 -1.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8145 3.7427 -0.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4181 2.5732 1.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9082 2.7887 -0.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1312 0.0355 0.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6084 0.4174 -1.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0642 -0.1019 -0.8015 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8336 1.2962 0.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1931 -0.1624 2.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8405 -0.5159 1.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3157 -2.1436 0.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6193 -2.5241 2.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5420 -3.5752 0.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0284 -1.8602 -0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5426 -2.5021 -0.9941 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 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 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 6 35 1 0 7 36 1 0 7 37 1 0 8 38 1 0 8 39 1 0 9 40 1 0 9 41 1 0 10 42 1 0 10 43 1 0 11 44 1 0 11 45 1 0 12 46 1 0 12 47 1 0 13 48 1 0 13 49 1 0 14 50 1 0 14 51 1 0 15 52 1 0 15 53 1 0 19 54 1 0 19 55 1 0 20 56 1 0 20 57 1 0 21 58 1 0 21 59 1 0 22 60 1 0 22 61 1 0 22 62 1 0 M END