HMDB0015568 RDKit 3D Vorinostat 39 39 0 0 0 0 0 0 0 0999 V2000 4.9624 0.7459 -2.3174 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8223 -0.1667 -1.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8973 0.1259 -0.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2967 1.4857 -0.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3881 1.7165 0.7566 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2543 0.7282 0.8395 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4056 1.0539 2.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7553 0.1642 2.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7373 0.2230 1.1137 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5577 1.0183 0.1871 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8363 -0.6541 1.1593 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8555 -0.7328 0.1738 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7851 -1.7718 0.2448 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8070 -1.9267 -0.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9339 -1.0199 -1.6683 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0479 0.0262 -1.7905 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0237 0.1456 -0.8608 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5045 -1.3979 -1.5723 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3256 -1.6168 -2.6100 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0925 -0.6381 -0.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4147 -0.0116 0.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0307 2.2943 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6194 1.4706 -1.3228 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0166 2.7518 0.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9892 1.5944 1.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6621 -0.3217 0.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6571 0.7239 -0.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0636 1.0821 2.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0055 2.0910 1.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4201 -0.8865 2.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3127 0.5244 3.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9006 -1.3089 2.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6473 -2.4707 1.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4938 -2.7394 -0.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7320 -1.1142 -2.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1398 0.7558 -2.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3570 0.9805 -0.9872 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3692 -2.1271 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5656 -0.7975 -3.0981 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 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 2 18 1 0 18 19 1 0 17 12 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 7 28 1 0 7 29 1 0 8 30 1 0 8 31 1 0 11 32 1 0 13 33 1 0 14 34 1 0 15 35 1 0 16 36 1 0 17 37 1 0 18 38 1 0 19 39 1 0 M END