@MOLECULE n-[(2s)-2-{4-[4-(hydroxymethyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]phenyl}propyl]-2-propanesulfonamide 49 50 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.6709 -0.7100 -1.1946 C.ar 1 UNL1111111111 -0.1822 2 C -1.0785 1.5008 -0.2627 C.ar 1 UNL1111111111 -0.1352 3 C 0.2563 1.8263 -0.4738 C.ar 1 UNL1111111111 -0.1550 4 C 1.1373 0.8944 -1.0272 C.ar 1 UNL1111111111 -0.0101 5 C 0.6613 -0.3669 -1.3943 C.ar 1 UNL1111111111 -0.1433 6 C 2.5901 1.2489 -1.1951 C.3 1 UNL1111111111 -0.1144 7 C 3.0161 1.1426 -2.6611 C.3 1 UNL1111111111 -0.4419 8 C 3.4249 0.3048 -0.2914 C.3 1 UNL1111111111 -0.0776 9 N 4.8221 0.7721 -0.2061 N.3 1 UNL1111111111 -0.8583 10 S 5.8354 -0.0078 0.9884 S.O2 1 UNL1111111111 2.2833 11 C -1.5379 0.2244 -0.6130 C.ar 1 UNL1111111111 0.1382 12 N -2.8910 -0.1404 -0.3696 N.ar 1 UNL1111111111 -0.0660 13 N -3.7819 0.7820 0.0574 N.ar 1 UNL1111111111 -0.1853 14 C -4.9590 0.1261 0.2374 C.ar 1 UNL1111111111 -0.1039 15 C -4.8089 -1.2575 -0.0856 C.ar 1 UNL1111111111 -0.0898 16 C -3.4759 -1.4020 -0.4683 C.ar 1 UNL1111111111 -0.0654 17 C -6.1868 0.8152 0.7091 C.3 1 UNL1111111111 0.5763 18 F -6.7426 0.2249 1.7704 F 1 UNL1111111111 -0.2035 19 F -6.0347 2.0853 1.0709 F 1 UNL1111111111 -0.1728 20 F -7.1635 0.8344 -0.2007 F 1 UNL1111111111 -0.2007 21 O -5.1855 -3.4842 -0.5635 O.3 1 UNL1111111111 -0.5458 22 C -5.8263 -2.3290 -0.0328 C.3 1 UNL1111111111 0.0211 23 O 4.9736 -0.8575 1.7778 O.2 1 UNL1111111111 -0.9117 24 C 6.9044 -1.0729 -0.0025 C.3 1 UNL1111111111 -0.3443 25 C 7.8803 -0.2474 -0.8346 C.3 1 UNL1111111111 -0.4396 26 C 7.6543 -2.0402 0.9100 C.3 1 UNL1111111111 -0.4422 27 O 6.5990 1.0634 1.5845 O.2 1 UNL1111111111 -0.9035 28 H -1.0231 -1.6971 -1.4899 H 1 UNL1111111111 0.1679 29 H -1.7643 2.2323 0.1768 H 1 UNL1111111111 0.1945 30 H 0.6128 2.8186 -0.1956 H 1 UNL1111111111 0.1626 31 H 1.3399 -1.0953 -1.8383 H 1 UNL1111111111 0.1593 32 H 2.7617 2.3042 -0.8598 H 1 UNL1111111111 0.1447 33 H 2.8521 0.1394 -3.0677 H 1 UNL1111111111 0.1455 34 H 2.4588 1.8458 -3.2899 H 1 UNL1111111111 0.1451 35 H 4.0857 1.3637 -2.7747 H 1 UNL1111111111 0.1587 36 H 2.9385 0.2317 0.7121 H 1 UNL1111111111 0.1506 37 H 3.4265 -0.7246 -0.7162 H 1 UNL1111111111 0.1437 38 H 4.8958 1.7885 -0.2141 H 1 UNL1111111111 0.2976 39 H -2.9537 -2.2866 -0.7824 H 1 UNL1111111111 0.1975 40 H -5.8092 -4.2363 -0.5756 H 1 UNL1111111111 0.3178 41 H -6.1459 -2.5454 1.0087 H 1 UNL1111111111 0.1401 42 H -6.7142 -2.0918 -0.6551 H 1 UNL1111111111 0.1389 43 H 6.2499 -1.6638 -0.6929 H 1 UNL1111111111 0.1657 44 H 8.5553 -0.8982 -1.4063 H 1 UNL1111111111 0.1490 45 H 7.3701 0.3977 -1.5629 H 1 UNL1111111111 0.1525 46 H 8.5183 0.4002 -0.2129 H 1 UNL1111111111 0.1675 47 H 6.9753 -2.6409 1.5356 H 1 UNL1111111111 0.1655 48 H 8.2505 -2.7506 0.3221 H 1 UNL1111111111 0.1493 49 H 8.3541 -1.5265 1.5846 H 1 UNL1111111111 0.1595 @BOND 1 1 28 1 2 2 11 ar 3 2 29 1 4 3 2 ar 5 3 4 ar 6 3 30 1 7 4 5 ar 8 5 1 ar 9 5 31 1 10 6 4 1 11 6 8 1 12 6 32 1 13 7 6 1 14 7 33 1 15 7 34 1 16 7 35 1 17 8 9 1 18 8 36 1 19 8 37 1 20 9 10 1 21 9 38 1 22 10 24 1 23 10 27 2 24 11 1 ar 25 11 12 1 26 12 16 ar 27 13 12 ar 28 13 14 ar 29 14 15 ar 30 15 16 ar 31 15 22 1 32 16 39 1 33 17 14 1 34 17 19 1 35 18 17 1 36 20 17 1 37 21 40 1 38 22 21 1 39 22 41 1 40 22 42 1 41 23 10 2 42 24 26 1 43 24 25 1 44 24 43 1 45 25 44 1 46 25 45 1 47 25 46 1 48 26 47 1 49 26 48 1 50 26 49 1