HMDB0000832 RDKit 3D Capryloylglycine 33 32 0 0 0 0 0 0 0 0999 V2000 -4.2001 1.9141 -0.9472 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2898 0.6867 -0.9921 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0512 0.2696 0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1662 -0.9352 0.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7897 -0.6979 -0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0104 -1.9584 0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3948 -1.9293 -0.3988 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2525 -0.9147 0.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8005 -0.2409 1.1852 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5868 -0.6906 -0.2083 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4192 0.2993 0.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7936 1.6261 0.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6943 1.7290 -0.3114 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4285 2.7456 0.8225 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2764 2.3272 0.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8129 2.7318 -1.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2468 1.6332 -1.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3670 0.8868 -1.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8531 -0.1229 -1.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6794 1.1308 1.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0351 0.0006 0.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0562 -1.1502 1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6696 -1.7897 0.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2902 0.1602 0.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9161 -0.5439 -1.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5396 -2.8078 -0.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0036 -2.1540 1.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3906 -1.8303 -1.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8408 -2.9576 -0.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9401 -1.2675 -1.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 0.2824 -0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6310 0.0736 1.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6217 3.4942 0.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 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 10 30 1 0 11 31 1 0 11 32 1 0 14 33 1 0 M END