HMDB0253714 RDKit 3D isoxicam 36 38 0 0 0 0 0 0 0 0999 V2000 6.5332 0.0372 0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1015 -0.3195 0.5696 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1709 -0.1144 -0.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9728 -0.6065 0.0841 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8672 -0.5800 -0.5787 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6496 -1.0664 -0.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -2.2120 0.4411 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6457 -0.3883 -0.1686 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7022 -0.9940 0.3326 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5660 -2.2735 0.9186 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0423 -0.4463 0.3378 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1025 -1.1826 0.9024 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3840 -0.6995 0.9268 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6924 0.5331 0.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6467 1.2382 -0.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3611 0.7784 -0.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1286 1.7574 -0.9008 S 0 0 0 0 0 6 0 0 0 0 0 0 -2.4268 2.1109 -2.3290 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0089 3.0112 -0.0591 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6392 0.8900 -0.7825 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5718 1.4473 -1.2911 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2355 -1.0720 1.3163 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4995 -0.8888 1.5747 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1839 -0.8411 0.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7399 0.8023 -0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8783 0.5139 1.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3836 0.3393 -1.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6145 -3.0616 0.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9139 -2.1602 1.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1937 -1.2584 1.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6979 0.9204 0.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8573 2.2080 -0.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3137 2.4652 -1.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0091 0.9181 -2.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3029 1.6931 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5335 -1.4989 1.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 3 5 6 1 0 6 7 2 0 6 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 19 2 0 17 20 1 0 20 21 1 0 4 22 1 0 22 23 1 0 23 2 1 0 20 8 1 0 16 11 1 0 1 24 1 0 1 25 1 0 1 26 1 0 3 27 1 0 10 28 1 0 12 29 1 0 13 30 1 0 14 31 1 0 15 32 1 0 21 33 1 0 21 34 1 0 21 35 1 0 22 36 1 0 M END