HMDB0302820 RDKit 3D Elemenal 38 38 0 0 0 0 0 0 0 0999 V2000 -2.3219 -0.9221 2.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5869 -0.2474 1.4684 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0706 -0.8445 0.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2267 -1.5707 -0.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0139 -1.8898 0.4845 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3245 -1.3026 0.8389 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7599 -0.2348 -0.1276 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0740 0.2869 0.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6877 -0.1205 1.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7597 1.2975 -0.5427 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2618 1.7574 -1.6055 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7072 0.8524 -0.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5585 0.1647 -0.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4949 1.2041 -1.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7210 1.3264 -0.7592 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9712 2.2094 -2.1697 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6912 -0.4696 3.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5809 -1.9608 2.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3608 0.7852 1.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0949 -1.6580 0.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9206 -2.6411 -0.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5129 -1.0921 -1.4339 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3505 -2.4735 1.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0984 -2.5994 -0.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2433 -0.8437 1.8449 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0593 -2.1162 0.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8252 -0.7036 -1.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6582 0.2561 1.6691 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2162 -0.8612 1.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7161 1.6778 -0.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0078 1.5612 -1.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5092 1.3583 0.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2235 -0.3884 -1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2282 0.6909 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3376 2.1503 -1.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8237 2.4549 -2.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6865 3.1246 -1.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1318 1.7821 -2.7636 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 3 8 10 1 0 10 11 2 0 7 12 1 0 12 13 1 0 13 14 1 0 14 15 2 3 14 16 1 0 13 3 1 0 1 17 1 0 1 18 1 0 2 19 1 0 4 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 7 27 1 0 9 28 1 0 9 29 1 0 10 30 1 0 12 31 1 0 12 32 1 0 13 33 1 0 15 34 1 0 15 35 1 0 16 36 1 0 16 37 1 0 16 38 1 0 M END