HMDB0015325 RDKit 3D Brinzolamide 44 45 0 0 0 0 0 0 0 0999 V2000 -0.6848 3.9984 0.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7313 3.3307 0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9939 1.9696 0.2388 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1036 0.9645 -0.1373 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1853 0.8896 0.5906 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 0.3077 -0.2201 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3008 -0.1374 0.6528 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6501 0.4421 0.4077 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1826 0.1751 -0.9438 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3305 -1.1492 -1.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1809 -1.8723 -0.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -0.9514 -1.2467 S 0 0 0 0 0 6 0 0 0 0 0 0 0.6248 -0.5665 -2.6775 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5321 -2.1647 -1.0986 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9928 -1.3668 -0.7554 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9766 -2.7421 -0.7300 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3778 -2.0605 -0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9174 -2.8460 0.3586 S 0 0 0 0 0 6 0 0 0 0 0 0 -5.6652 -3.4846 -1.0321 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7901 -1.9353 1.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5455 -4.0256 1.2506 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0214 -0.7532 0.1693 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7824 -0.3947 -0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5743 3.6447 1.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0187 5.0864 1.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2922 4.1129 0.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7030 3.8900 0.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5255 3.6092 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4018 1.8349 1.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8259 1.1734 -1.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0038 0.2461 1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5499 1.8730 0.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 -1.2649 0.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9977 0.0052 1.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3342 0.0026 1.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6589 1.5444 0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5087 0.6758 -1.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1616 0.7195 -1.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2259 -2.9563 -0.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7696 -1.8659 0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2130 -1.5142 -0.4435 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5946 -3.0163 -1.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0198 -3.3638 -1.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7575 -0.0644 0.6251 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 1 0 9 10 1 0 10 11 1 0 6 12 1 0 12 13 2 0 12 14 2 0 12 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 2 0 18 21 2 0 17 22 2 0 22 23 1 0 23 4 1 0 23 15 2 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 4 30 1 6 5 31 1 0 5 32 1 0 7 33 1 0 7 34 1 0 8 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 11 39 1 0 11 40 1 0 11 41 1 0 19 42 1 0 19 43 1 0 22 44 1 0 M END