@MOLECULE n-[(2s)-5-{[4-(hydroxymethyl)-3-(trifluoromethyl)-1h-pyrazol-1-yl]methyl}-2,3-dihydro-1h-inden-2-yl]-2-propanesulfonamide 50 52 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.7871 -1.5188 -2.5177 O.3 1 UNL1111111111 -0.5307 2 C -5.3395 -0.2464 -2.0929 C.3 1 UNL1111111111 0.0166 3 C -4.6349 -0.3516 -0.7964 C.ar 1 UNL1111111111 -0.1304 4 C -3.9455 -1.4743 -0.3259 C.ar 1 UNL1111111111 -0.0830 5 N -3.4549 -1.1390 0.9261 N.ar 1 UNL1111111111 -0.0659 6 C -2.5491 -1.9190 1.7716 C.3 1 UNL1111111111 -0.0818 7 C -1.1704 -1.9370 1.1647 C.ar 1 UNL1111111111 -0.0618 8 C -0.4818 -0.7249 1.0158 C.ar 1 UNL1111111111 -0.1633 9 C 0.7701 -0.7453 0.4329 C.ar 1 UNL1111111111 -0.0162 10 C 1.6668 0.4145 0.1608 C.3 1 UNL1111111111 -0.3092 11 C 2.9619 -0.2031 -0.4657 C.3 1 UNL1111111111 0.1232 12 N 4.0990 0.1207 0.4015 N.3 1 UNL1111111111 -0.8787 13 S 5.7016 0.1620 -0.2955 S.O2 1 UNL1111111111 2.2932 14 C 6.1322 1.9127 -0.1875 C.3 1 UNL1111111111 -0.3445 15 C 6.4483 2.3104 1.2508 C.3 1 UNL1111111111 -0.4394 16 C 7.3143 2.2156 -1.1038 C.3 1 UNL1111111111 -0.4435 17 O 6.5242 -0.6183 0.5989 O.2 1 UNL1111111111 -0.9056 18 O 5.5621 -0.1833 -1.6919 O.2 1 UNL1111111111 -0.9119 19 C 2.6956 -1.7419 -0.5888 C.3 1 UNL1111111111 -0.3401 20 C 1.3470 -1.9581 0.0091 C.ar 1 UNL1111111111 0.0063 21 C 0.6705 -3.1543 0.1679 C.ar 1 UNL1111111111 -0.1723 22 C -0.6027 -3.1375 0.7491 C.ar 1 UNL1111111111 -0.1478 23 N -3.7554 0.1274 1.2616 N.ar 1 UNL1111111111 -0.1963 24 C -4.4910 0.6299 0.2285 C.ar 1 UNL1111111111 -0.1080 25 C -5.0269 2.0135 0.2447 C.3 1 UNL1111111111 0.5760 26 F -4.7315 2.7041 -0.8594 F 1 UNL1111111111 -0.2024 27 F -6.3587 2.0666 0.3169 F 1 UNL1111111111 -0.2012 28 F -4.6039 2.7828 1.2436 F 1 UNL1111111111 -0.1777 29 H -6.4556 -1.8709 -1.8957 H 1 UNL1111111111 0.3125 30 H -4.6509 0.0575 -2.9137 H 1 UNL1111111111 0.1651 31 H -6.1982 0.4526 -2.0676 H 1 UNL1111111111 0.1389 32 H -3.7895 -2.4291 -0.7902 H 1 UNL1111111111 0.1933 33 H -2.5155 -1.4642 2.7976 H 1 UNL1111111111 0.1895 34 H -2.9710 -2.9455 1.8918 H 1 UNL1111111111 0.1634 35 H -0.9353 0.2110 1.3439 H 1 UNL1111111111 0.1754 36 H 1.2030 1.1360 -0.5353 H 1 UNL1111111111 0.1606 37 H 1.8940 0.9899 1.0780 H 1 UNL1111111111 0.1706 38 H 3.1292 0.2278 -1.4848 H 1 UNL1111111111 0.1569 39 H 4.0382 -0.3376 1.3109 H 1 UNL1111111111 0.3038 40 H 5.2471 2.5033 -0.5390 H 1 UNL1111111111 0.1692 41 H 7.2647 1.7106 1.6833 H 1 UNL1111111111 0.1676 42 H 6.7677 3.3598 1.3056 H 1 UNL1111111111 0.1494 43 H 5.5802 2.2111 1.9160 H 1 UNL1111111111 0.1517 44 H 7.1299 1.9090 -2.1456 H 1 UNL1111111111 0.1663 45 H 7.5249 3.2933 -1.1265 H 1 UNL1111111111 0.1496 46 H 8.2401 1.7223 -0.7758 H 1 UNL1111111111 0.1577 47 H 2.7323 -2.0572 -1.6490 H 1 UNL1111111111 0.1718 48 H 3.4738 -2.3399 -0.0817 H 1 UNL1111111111 0.1678 49 H 1.1131 -4.0934 -0.1552 H 1 UNL1111111111 0.1606 50 H -1.1430 -4.0751 0.8692 H 1 UNL1111111111 0.1547 @BOND 1 1 29 1 2 2 1 1 3 2 30 1 4 2 31 1 5 3 2 1 6 3 24 ar 7 4 3 ar 8 4 32 1 9 5 4 ar 10 5 23 ar 11 6 5 1 12 6 7 1 13 6 33 1 14 6 34 1 15 7 8 ar 16 8 9 ar 17 8 35 1 18 9 10 1 19 10 11 1 20 10 36 1 21 10 37 1 22 11 12 1 23 11 38 1 24 12 13 1 25 12 39 1 26 13 14 1 27 13 18 2 28 14 15 1 29 14 40 1 30 15 41 1 31 15 42 1 32 15 43 1 33 16 14 1 34 16 44 1 35 16 45 1 36 16 46 1 37 17 13 2 38 19 11 1 39 19 47 1 40 19 48 1 41 20 9 ar 42 20 19 1 43 21 20 ar 44 21 49 1 45 22 7 ar 46 22 21 ar 47 22 50 1 48 23 24 ar 49 24 25 1 50 25 27 1 51 25 28 1 52 26 25 1