HMDB0032065 RDKit 3D Butyl dodecanoate 50 49 0 0 0 0 0 0 0 0999 V2000 -5.0545 -2.0589 -0.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2079 -1.1237 -1.3264 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3154 0.3127 -1.1278 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2731 1.1754 -0.5893 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6783 1.1372 0.7374 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 0.0041 1.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7151 -0.3718 0.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7106 0.7019 0.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0748 1.2039 1.4685 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9248 2.2775 1.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0747 1.9302 0.3473 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8779 0.8317 0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6323 0.2890 2.0263 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0063 0.3238 0.2541 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7908 -0.7259 0.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8981 -1.0199 -0.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2669 -1.4374 -1.4957 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4450 -1.7258 -2.4351 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9820 -2.3131 -0.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6314 -3.0185 -0.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3940 -1.5983 0.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3674 -1.2971 -2.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1321 -1.4560 -1.9214 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3322 0.5623 -0.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6135 0.7305 -2.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4195 1.2740 -1.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6649 2.2825 -0.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0242 2.0632 0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5467 1.3903 1.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3884 -0.8905 1.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4552 0.4208 2.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2764 -1.2908 0.8613 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1108 -0.6861 -0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2054 1.5520 -0.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0619 0.3302 -0.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 0.4156 2.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9090 1.7051 2.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3204 2.5898 2.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3765 3.1551 0.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7882 1.6962 -0.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6986 2.8679 0.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0982 -1.6152 0.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1457 -0.4868 1.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4542 -0.0674 -0.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6314 -1.7490 0.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6379 -2.3388 -1.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6433 -0.6182 -1.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2631 -2.6337 -3.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6103 -0.8140 -3.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3854 -1.8858 -1.8640 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 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 7 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 15 42 1 0 15 43 1 0 16 44 1 0 16 45 1 0 17 46 1 0 17 47 1 0 18 48 1 0 18 49 1 0 18 50 1 0 M END