HMDB0013988 RDKit 3D N-Deschlorobenzoyl indomethacin 29 30 0 0 0 0 0 0 0 0999 V2000 4.7192 -0.6843 -0.9103 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3863 -1.1590 -0.8929 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3358 -0.2943 -0.6039 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6173 1.0427 -0.3377 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5938 1.8949 -0.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2834 1.4621 -0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9014 2.0550 0.2233 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8979 1.1318 0.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3236 1.4628 0.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3399 -0.0858 -0.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1313 -1.3334 -0.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5553 -1.9170 0.8841 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2480 -1.3542 1.9516 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2859 -3.0782 0.9136 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0122 0.1306 -0.2894 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0291 -0.7358 -0.5759 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9221 0.0653 -1.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3651 -1.5998 -1.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9741 -0.2344 0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6433 1.3950 -0.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7374 2.9565 0.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0111 3.0648 0.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6444 2.1402 -0.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4780 1.9673 1.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9276 0.5358 0.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6499 -2.0437 -1.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0824 -1.0144 -0.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9481 -3.9975 0.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8059 -1.7731 -0.7821 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 1 0 8 9 1 0 8 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 10 15 1 0 15 16 2 0 16 3 1 0 15 6 1 0 1 17 1 0 1 18 1 0 1 19 1 0 4 20 1 0 5 21 1 0 7 22 1 0 9 23 1 0 9 24 1 0 9 25 1 0 11 26 1 0 11 27 1 0 14 28 1 0 16 29 1 0 M END