HMDB0039101 RDKit 3D Etrogol 33 33 0 0 0 0 0 0 0 0999 V2000 -4.1254 -0.2732 1.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3352 0.3986 0.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6733 0.9613 -0.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3519 0.5231 -0.8118 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0169 -0.0050 -0.4973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0645 1.0313 -0.4995 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2534 0.7486 -0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6386 -0.5467 0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9504 -0.8660 0.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9497 0.0979 0.3411 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3545 -0.2735 0.6423 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1256 -0.6338 -0.6067 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4307 -0.9621 -0.1814 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5467 1.3877 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2435 1.7121 -0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1015 -0.3619 1.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7160 -1.2847 1.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4006 0.3336 1.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6226 2.0547 -0.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8684 0.5549 -1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4711 0.6141 0.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4640 1.0196 -1.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7744 -0.7803 -1.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9841 -0.5507 0.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 -1.3301 0.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1778 -1.8916 0.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3045 -1.2221 1.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8284 0.5241 1.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1461 0.1498 -1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7315 -1.5596 -1.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1039 -0.3448 -0.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3461 2.1400 0.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9726 2.7478 -0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 10 14 1 0 14 15 2 0 15 7 1 0 1 16 1 0 1 17 1 0 1 18 1 0 3 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 8 25 1 0 9 26 1 0 11 27 1 0 11 28 1 0 12 29 1 0 12 30 1 0 13 31 1 0 14 32 1 0 15 33 1 0 M END