HMDB0248956 RDKit 3D Benoxaprofen 33 35 0 0 0 0 0 0 0 0999 V2000 4.3621 1.1870 0.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0156 -0.1796 -0.5576 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4319 -1.2150 0.3803 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5973 -1.9892 0.8869 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7611 -1.3440 0.7142 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5648 -0.1601 -0.8201 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -0.2332 -2.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8007 -0.2201 -2.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1354 -0.1312 -1.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4365 -0.0986 -1.4229 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9158 -0.0089 -0.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3346 0.0470 0.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2927 0.0077 -0.8788 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6480 0.0608 -0.5785 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0776 0.1552 0.7293 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7927 0.2239 1.1306 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.1331 0.1958 1.7336 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7849 0.1415 1.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8568 0.0173 0.6170 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2821 -0.0577 -0.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6172 -0.0738 0.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5982 1.0787 1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2693 1.6065 -0.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5520 1.9223 -0.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5742 -0.2543 -1.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3072 -0.4837 0.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8982 -0.3031 -2.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5146 -0.2795 -3.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9254 -0.0667 -1.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3674 0.0285 -1.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4790 0.2700 2.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0400 0.1728 2.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9316 -0.0161 1.1851 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 3 5 1 0 2 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 11 19 2 0 19 20 1 0 20 21 2 0 21 6 1 0 20 9 1 0 18 12 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 5 26 1 0 7 27 1 0 8 28 1 0 13 29 1 0 14 30 1 0 17 31 1 0 18 32 1 0 21 33 1 0 M END