HMDB0029465 RDKit 3D Erosnin 32 37 0 0 0 0 0 0 0 0999 V2000 -0.8294 0.3686 -3.1675 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0085 0.2619 -2.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2889 0.2439 -2.4026 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1544 0.1309 -1.3985 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5087 0.1147 -1.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4139 -0.0016 -0.5882 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7455 -0.0410 -0.5407 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1630 -0.1627 0.6919 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0810 -0.2107 1.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9778 -0.1079 0.7239 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6140 -0.0923 0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7126 0.0250 -0.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3527 0.0419 0.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3428 -0.0395 1.2317 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6299 0.0188 0.9604 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7758 -0.0227 1.7584 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0316 0.0611 1.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1566 0.1873 -0.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0311 0.2310 -0.9899 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7799 0.1455 -0.4052 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5084 0.1612 -0.9543 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5062 0.2469 -0.4390 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2422 -0.2495 0.6639 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3308 0.0470 1.7328 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8766 0.1956 -2.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2052 -0.2164 0.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1098 -0.3073 2.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2627 -0.1741 1.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6867 -0.1215 2.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0844 0.3277 -2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3343 -1.3417 0.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1883 0.2799 0.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 18 22 1 0 22 23 1 0 23 24 1 0 21 2 1 0 12 4 1 0 21 13 2 0 10 6 2 0 20 15 1 0 24 17 1 0 5 25 1 0 8 26 1 0 9 27 1 0 11 28 1 0 16 29 1 0 19 30 1 0 23 31 1 0 23 32 1 0 M END