@MOLECULE [5-amino-1-(4-fluorophenyl)-1h-pyrazol-4-yl]{3-[(2s)-2,3-dihydroxypropoxy]phenyl}methanone 45 47 0 0 0 SMALL USER_CHARGES @ATOM 1 F -7.7744 2.0024 0.0275 F 1 UNL11111111 -0.1642 2 O 4.4308 0.0622 -0.4428 O.3 1 UNL11111111 -0.3610 3 O 4.6317 3.5260 0.2058 O.3 1 UNL11111111 -0.5565 4 O -0.1501 -2.9474 1.4806 O.2 1 UNL11111111 -0.5080 5 O 7.3304 2.8663 0.6287 O.3 1 UNL11111111 -0.5455 6 N -2.7099 -0.0818 -0.2430 N.ar 1 UNL11111111 -0.2119 7 N -1.7946 0.4244 -1.1499 N.ar 1 UNL11111111 -0.2402 8 N -2.7815 -1.8562 1.4513 N.pl3 1 UNL11111111 -0.5917 9 C -0.7977 -1.2434 0.0505 C.ar 1 UNL11111111 -0.4304 10 C -2.1345 -1.1074 0.5082 C.ar 1 UNL11111111 0.3807 11 C 1.5385 -2.1552 0.0419 C.ar 1 UNL11111111 -0.0466 12 C 5.1414 2.2499 -0.1265 C.3 1 UNL11111111 0.0889 13 C 0.1548 -2.1714 0.5927 C.2 1 UNL11111111 0.5204 14 C 3.9528 1.2967 0.0925 C.3 1 UNL11111111 -0.0702 15 C -4.0206 0.4529 -0.1939 C.ar 1 UNL11111111 0.1428 16 C 3.5757 -0.9948 -0.4212 C.ar 1 UNL11111111 0.2626 17 C 2.2828 -0.9755 0.0951 C.ar 1 UNL11111111 -0.2812 18 C -0.6605 -0.2669 -0.9937 C.ar 1 UNL11111111 0.0368 19 C 2.0669 -3.3200 -0.5027 C.ar 1 UNL11111111 -0.1762 20 C 6.3254 1.8858 0.7804 C.3 1 UNL11111111 -0.0615 21 C 4.1295 -2.1550 -0.9888 C.ar 1 UNL11111111 -0.2363 22 C 3.3652 -3.3119 -1.0227 C.ar 1 UNL11111111 -0.0888 23 C -5.1111 -0.4110 -0.0223 C.ar 1 UNL11111111 -0.1724 24 C -4.2025 1.8379 -0.3296 C.ar 1 UNL11111111 -0.1196 25 C -6.3953 0.1164 0.0598 C.ar 1 UNL11111111 -0.1909 26 C -5.4838 2.3699 -0.2581 C.ar 1 UNL11111111 -0.1935 27 C -6.5535 1.4970 -0.0551 C.ar 1 UNL11111111 0.1880 28 H 5.4394 2.2842 -1.1984 H 1 UNL11111111 0.1369 29 H 3.0633 1.6403 -0.4662 H 1 UNL11111111 0.1521 30 H 3.7039 1.1768 1.1602 H 1 UNL11111111 0.1439 31 H 1.8533 -0.0826 0.5394 H 1 UNL11111111 0.1727 32 H 0.2148 -0.0803 -1.5978 H 1 UNL11111111 0.1924 33 H 1.4762 -4.2348 -0.5150 H 1 UNL11111111 0.1689 34 H 6.7205 0.8782 0.5657 H 1 UNL11111111 0.1389 35 H 6.0675 1.9593 1.8548 H 1 UNL11111111 0.1578 36 H 5.1400 -2.1299 -1.3872 H 1 UNL11111111 0.1680 37 H 3.7784 -4.2236 -1.4537 H 1 UNL11111111 0.1520 38 H -4.9625 -1.4919 0.0182 H 1 UNL11111111 0.1808 39 H -3.3373 2.4851 -0.5014 H 1 UNL11111111 0.1900 40 H -3.5639 -1.4821 1.9501 H 1 UNL11111111 0.3051 41 H -2.1934 -2.5274 1.9474 H 1 UNL11111111 0.3478 42 H -7.2547 -0.5397 0.1992 H 1 UNL11111111 0.1806 43 H -5.6441 3.4437 -0.3605 H 1 UNL11111111 0.1819 44 H 5.3635 4.1000 0.5314 H 1 UNL11111111 0.3409 45 H 7.7753 2.7817 -0.2383 H 1 UNL11111111 0.3155 @BOND 1 32 18 1 2 37 22 1 3 36 21 1 4 28 12 1 5 7 18 ar 6 7 6 ar 7 22 21 ar 8 22 19 ar 9 18 9 ar 10 21 16 ar 11 33 19 1 12 19 11 ar 13 39 24 1 14 29 14 1 15 2 16 1 16 2 14 1 17 16 17 ar 18 43 26 1 19 24 26 ar 20 24 15 ar 21 26 27 ar 22 6 15 1 23 6 10 ar 24 45 5 1 25 15 23 ar 26 12 14 1 27 12 3 1 28 12 20 1 29 27 1 1 30 27 25 ar 31 23 38 1 32 23 25 ar 33 11 17 ar 34 11 13 1 35 9 10 ar 36 9 13 1 37 25 42 1 38 14 30 1 39 17 31 1 40 3 44 1 41 10 8 1 42 34 20 1 43 13 4 2 44 5 20 1 45 20 35 1 46 8 41 1 47 8 40 1