HMDB0039954 RDKit 3D Macamide B 64 64 0 0 0 0 0 0 0 0999 V2000 10.3642 1.5061 0.4942 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8609 1.3918 0.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3800 0.4494 1.4643 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8807 0.2819 1.4232 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4126 -0.2798 0.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8823 -0.4005 0.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3423 -0.9566 -1.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8370 -1.0763 -1.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1597 0.2360 -0.7709 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6695 0.0410 -0.6883 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1334 -0.5420 -1.9521 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3595 -0.7158 -1.8507 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1132 0.5474 -1.6321 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6087 0.3328 -1.5465 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9974 -0.5762 -0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4722 -0.7549 -0.3836 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1560 -0.1339 -1.2358 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1181 -1.5720 0.5567 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5569 -1.6924 0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2491 -0.5184 1.1183 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3257 -0.3547 2.4819 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9733 0.7379 3.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5388 1.6572 2.1509 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4851 1.5315 0.7835 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8191 0.4085 0.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8376 1.7168 -0.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8369 0.6754 1.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5652 2.4444 1.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5746 0.9936 -0.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3481 2.3729 0.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8540 -0.5355 1.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6792 0.8496 2.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6406 -0.4819 2.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3520 1.1971 1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6407 0.3763 -0.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7936 -1.3136 -0.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6077 -0.9924 1.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5182 0.6559 0.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8164 -1.9363 -1.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5814 -0.3066 -1.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5213 -1.5439 -1.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5478 -1.7958 -0.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3777 0.9511 -1.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5325 0.6986 0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4262 -0.6984 0.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1731 0.9912 -0.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4301 0.0287 -2.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5436 -1.5958 -2.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5321 -1.4807 -1.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6656 -1.2306 -2.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9467 1.1870 -2.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7470 1.1548 -0.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0295 0.0073 -2.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0504 1.3541 -1.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5476 -1.5706 -0.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7079 -0.1229 0.5364 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5624 -2.0946 1.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9068 -2.6055 1.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9404 -1.8301 -0.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8714 -1.0944 3.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0442 0.8843 4.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0542 2.5261 2.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9361 2.2648 0.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8058 0.3515 -0.7960 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 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 20 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 2 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 6 37 1 0 6 38 1 0 7 39 1 0 7 40 1 0 8 41 1 0 8 42 1 0 9 43 1 0 9 44 1 0 10 45 1 0 10 46 1 0 11 47 1 0 11 48 1 0 12 49 1 0 12 50 1 0 13 51 1 0 13 52 1 0 14 53 1 0 14 54 1 0 15 55 1 0 15 56 1 0 18 57 1 0 19 58 1 0 19 59 1 0 21 60 1 0 22 61 1 0 23 62 1 0 24 63 1 0 25 64 1 0 M END