@MOLECULE brinzolamide 44 45 0 0 0 SMALL USER_CHARGES @ATOM 1 S -0.9864 -1.9089 -0.1997 S.O2 1 UNL11111111 2.3541 2 S 1.9586 -1.2791 -0.7635 S.2 1 UNL11111111 0.6212 3 S 4.3912 0.5245 -0.2278 S.O2 1 UNL11111111 2.3879 4 O -0.7709 -3.1851 0.4392 O.2 1 UNL11111111 -0.9028 5 O -1.4234 -1.8640 -1.5743 O.2 1 UNL11111111 -0.8739 6 O -5.4345 1.2519 -0.8088 O.3 1 UNL11111111 -0.3824 7 O 4.7773 0.3373 -1.6041 O.2 1 UNL11111111 -0.9055 8 O 4.5809 1.7754 0.4645 O.2 1 UNL11111111 -0.9128 9 N -2.1307 -0.9972 0.7431 N.3 1 UNL11111111 -0.7789 10 N -1.3388 1.8220 0.8324 N.3 1 UNL11111111 -0.5520 11 N 5.2712 -0.6734 0.6689 N.3 1 UNL11111111 -0.9490 12 C -0.5933 0.7697 1.5504 C.3 1 UNL11111111 0.0188 13 C -1.6204 -0.3358 1.9495 C.3 1 UNL11111111 -0.0952 14 C 0.5446 0.1706 0.7716 C.ar 1 UNL11111111 -0.0507 15 C 0.4649 -0.9566 -0.0272 C.ar 1 UNL11111111 -0.5957 16 C -3.5019 -1.5318 0.8452 C.3 1 UNL11111111 -0.0469 17 C 1.8450 0.7390 0.7762 C.ar 1 UNL11111111 -0.1171 18 C -4.3927 -0.8429 -0.2027 C.3 1 UNL11111111 -0.3308 19 C 2.7312 0.0479 -0.0285 C.ar 1 UNL11111111 -0.5807 20 C -0.4893 2.9285 0.3390 C.3 1 UNL11111111 -0.0931 21 C -4.8094 0.5580 0.2545 C.3 1 UNL11111111 -0.0448 22 C -1.3734 3.9247 -0.4169 C.3 1 UNL11111111 -0.4527 23 C -4.5314 1.8720 -1.7038 C.3 1 UNL11111111 -0.2049 24 H -0.1960 1.2348 2.4959 H 1 UNL11111111 0.1559 25 H -2.4654 0.1600 2.4877 H 1 UNL11111111 0.1688 26 H -1.1525 -1.0426 2.6698 H 1 UNL11111111 0.1332 27 H -3.9160 -1.3713 1.8650 H 1 UNL11111111 0.1332 28 H -3.5215 -2.6367 0.6905 H 1 UNL11111111 0.1421 29 H -1.9008 1.4119 0.0816 H 1 UNL11111111 0.2805 30 H 2.0935 1.6229 1.3567 H 1 UNL11111111 0.1815 31 H -3.8592 -0.7801 -1.1758 H 1 UNL11111111 0.1782 32 H -5.2882 -1.4573 -0.4083 H 1 UNL11111111 0.1505 33 H 0.3389 2.5821 -0.3174 H 1 UNL11111111 0.1184 34 H -0.0230 3.4222 1.2206 H 1 UNL11111111 0.1387 35 H -3.9610 1.1338 0.6631 H 1 UNL11111111 0.1317 36 H -5.6153 0.5236 1.0112 H 1 UNL11111111 0.1299 37 H -1.7464 3.5038 -1.3568 H 1 UNL11111111 0.1447 38 H -2.2438 4.2131 0.1889 H 1 UNL11111111 0.1644 39 H -0.8171 4.8377 -0.6570 H 1 UNL11111111 0.1524 40 H 5.9328 -1.2302 0.1516 H 1 UNL11111111 0.2976 41 H 5.6677 -0.3823 1.5476 H 1 UNL11111111 0.2961 42 H -5.1946 2.3090 -2.4603 H 1 UNL11111111 0.1449 43 H -3.8587 1.1406 -2.1639 H 1 UNL11111111 0.1279 44 H -3.9586 2.6552 -1.1942 H 1 UNL11111111 0.1172 @BOND 1 42 23 1 2 43 23 1 3 23 44 1 4 23 6 1 5 7 3 2 6 5 1 2 7 37 22 1 8 31 18 1 9 6 21 1 10 2 19 ar 11 2 15 ar 12 39 22 1 13 22 38 1 14 22 20 1 15 32 18 1 16 33 20 1 17 3 19 1 18 3 8 2 19 3 11 1 20 18 21 1 21 18 16 1 22 1 15 1 23 1 4 2 24 1 9 1 25 19 17 ar 26 15 14 ar 27 29 10 1 28 40 11 1 29 21 35 1 30 21 36 1 31 20 10 1 32 20 34 1 33 11 41 1 34 28 16 1 35 9 16 1 36 9 13 1 37 14 17 ar 38 14 12 1 39 17 30 1 40 10 12 1 41 16 27 1 42 12 13 1 43 12 24 1 44 13 25 1 45 13 26 1