HMDB0257284 RDKit 3D Robenacoxib 36 37 0 0 0 0 0 0 0 0999 V2000 -4.5086 -1.2413 0.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6517 -1.0862 1.4756 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3144 -0.5859 1.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3198 -1.5166 0.7254 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1015 -1.0407 0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1527 0.3223 0.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4638 0.7439 -0.1752 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4707 -0.2043 -0.5004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3300 -0.6698 0.4618 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2453 -0.2405 1.7472 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3081 -1.5913 0.1484 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1619 -2.0575 1.0917 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4552 -2.0742 -1.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6008 -1.6127 -2.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7429 -2.0877 -3.3714 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6173 -0.6861 -1.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8048 -0.2736 -2.7932 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8215 1.2464 0.5609 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4987 2.6700 0.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4662 3.1850 -0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7015 2.4384 -1.8916 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1743 4.5140 -1.1648 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0447 0.7586 0.9558 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7459 -0.2784 -0.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9465 -1.9317 -0.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4563 -1.7377 0.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0999 -0.3408 2.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5956 -2.0877 1.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5437 -2.5667 0.7989 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6619 -1.7593 0.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6852 1.7558 -0.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2332 -2.8067 -1.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2764 3.2340 1.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4647 2.9026 0.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3136 5.2514 -0.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8180 1.4552 1.2037 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 2 0 9 10 1 0 9 11 1 0 11 12 1 0 11 13 2 0 13 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 6 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 18 23 2 0 23 3 1 0 16 8 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 4 29 1 0 5 30 1 0 7 31 1 0 13 32 1 0 19 33 1 0 19 34 1 0 22 35 1 0 23 36 1 0 M END