HMDB0014604 RDKit 3D Nabumetone 33 34 0 0 0 0 0 0 0 0999 V2000 -6.1132 -0.1222 0.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0460 -0.9267 0.7807 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7245 -0.4675 0.6908 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4159 0.7681 0.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1212 1.2361 0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0991 0.4054 0.5296 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2135 0.8415 0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2173 0.0212 0.9054 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 0.5294 0.8003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2239 0.0920 -0.5383 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5998 0.6372 -0.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 0.1114 0.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9305 1.5015 -1.3666 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9395 -1.2140 1.4362 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3693 -1.6324 1.5089 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3948 -0.8318 1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7180 -1.2858 1.1459 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9507 0.8821 0.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0202 -0.0150 -0.7515 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0907 -0.5057 0.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2323 1.3842 -0.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8561 2.1991 -0.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3906 1.8210 0.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2471 0.1140 1.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5929 1.6297 0.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2826 -1.0029 -0.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5987 0.5157 -1.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6241 -1.0011 0.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6062 0.5638 0.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2803 0.4808 1.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7241 -1.8702 1.8011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6383 -2.5992 1.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9022 -2.2594 1.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 2 0 8 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 3 1 0 16 6 1 0 1 18 1 0 1 19 1 0 1 20 1 0 4 21 1 0 5 22 1 0 7 23 1 0 9 24 1 0 9 25 1 0 10 26 1 0 10 27 1 0 12 28 1 0 12 29 1 0 12 30 1 0 14 31 1 0 15 32 1 0 17 33 1 0 M END