HMDB0259754 RDKit 3D VALONE 31 32 0 0 0 0 0 0 0 0999 V2000 -4.3141 0.8859 0.6962 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3334 0.4309 -0.3778 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4520 -1.0662 -0.5317 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9505 0.7478 0.1367 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8887 0.3486 -0.8284 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2034 -0.1728 -1.8959 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5043 0.6051 -0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9239 -0.0794 0.7948 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2998 -0.4692 1.7912 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3865 -0.2584 0.6631 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3976 -0.5003 1.5774 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7240 -0.6333 1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0452 -0.5192 -0.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0582 -0.2781 -1.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7195 -0.1457 -0.6715 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4905 0.1067 -1.4287 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3526 -0.0790 -2.6657 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8486 1.6629 1.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5571 0.0373 1.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2128 1.3505 0.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5702 0.8946 -1.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1328 -1.4361 -1.5149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5389 -1.3288 -0.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9015 -1.6184 0.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8419 1.8286 0.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8291 0.1907 1.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7189 1.7013 -0.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 -0.5857 2.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4858 -0.8235 1.9639 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0629 -0.6142 -0.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2752 -0.1825 -2.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 7 1 0 15 10 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 7 27 1 0 11 28 1 0 12 29 1 0 13 30 1 0 14 31 1 0 M END