@MOLECULE N-[(1R,2S,4S)-2-allyl-4-hydroxy-cyclobutyl]-4-methyl-benzenesulfonamide 38 39 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.0242 -1.0869 0.6389 C.3 1 UNL111111111 0.1083 2 O 3.2192 -2.2283 -0.1474 O.3 1 UNL111111111 -0.5495 3 C 2.4820 0.8327 -0.3082 C.3 1 UNL111111111 -0.1196 4 C 3.8082 0.0887 0.0119 C.3 1 UNL111111111 -0.3323 5 C 1.6580 -0.3520 0.3227 C.3 1 UNL111111111 0.0187 6 H 3.2147 -1.3062 1.6952 H 1 UNL111111111 0.1224 7 H 2.6968 -2.9789 0.2113 H 1 UNL111111111 0.3274 8 C 2.2706 2.1575 0.4094 C.3 1 UNL111111111 -0.3059 9 H 2.3016 0.9439 -1.3921 H 1 UNL111111111 0.1568 10 H 4.4829 0.6080 0.6934 H 1 UNL111111111 0.1455 11 N 0.7970 -0.9934 -0.6483 N.3 1 UNL111111111 -0.8448 12 H 1.1122 -0.0604 1.2404 H 1 UNL111111111 0.1470 13 S -0.5918 -1.8735 -0.0696 S.O2 1 UNL111111111 2.3395 14 C -1.8328 -0.6397 -0.0031 C.ar 1 UNL111111111 -0.3998 15 O -0.8912 -2.8276 -1.1109 O.2 1 UNL111111111 -0.8961 16 O -0.2902 -2.2984 1.2802 O.2 1 UNL111111111 -0.9301 17 C -2.5098 -0.2673 -1.1637 C.ar 1 UNL111111111 -0.0358 18 C -3.4635 0.7463 -1.1180 C.ar 1 UNL111111111 -0.2239 19 C -3.7462 1.3914 0.0895 C.ar 1 UNL111111111 0.1024 20 C -3.0783 1.0012 1.2544 C.ar 1 UNL111111111 -0.2257 21 C -2.1265 -0.0133 1.2077 C.ar 1 UNL111111111 -0.0503 22 C -4.7633 2.4781 0.1357 C.3 1 UNL111111111 -0.4765 23 H 1.3268 -1.4407 -1.4018 H 1 UNL111111111 0.3190 24 H -2.3051 -0.7640 -2.1192 H 1 UNL111111111 0.1703 25 H -3.9883 1.0368 -2.0250 H 1 UNL111111111 0.1559 26 H -3.3036 1.4899 2.1990 H 1 UNL111111111 0.1547 27 H -1.6207 -0.3132 2.1334 H 1 UNL111111111 0.1713 28 H -5.7635 2.0699 0.3538 H 1 UNL111111111 0.1701 29 H -4.5467 3.2255 0.9119 H 1 UNL111111111 0.1620 30 H -4.8414 3.0219 -0.8166 H 1 UNL111111111 0.1628 31 C 3.0958 3.2408 -0.2084 C.2 1 UNL111111111 -0.1042 32 C 2.6277 4.4648 -0.4503 C.2 1 UNL111111111 -0.3441 33 H 4.3845 -0.2024 -0.8745 H 1 UNL111111111 0.1649 34 H 1.1899 2.4155 0.3893 H 1 UNL111111111 0.1544 35 H 2.5303 2.0692 1.4860 H 1 UNL111111111 0.1519 36 H 4.1219 2.9572 -0.4434 H 1 UNL111111111 0.1442 37 H 1.6193 4.7781 -0.2343 H 1 UNL111111111 0.1433 38 H 3.2212 5.2520 -0.8876 H 1 UNL111111111 0.1457 @BOND 1 1 2 1 2 1 4 1 3 1 5 1 4 1 6 1 5 2 7 1 6 3 4 1 7 3 5 1 8 3 8 1 9 3 9 1 10 4 10 1 11 4 33 1 12 5 11 1 13 5 12 1 14 8 31 1 15 8 34 1 16 8 35 1 17 11 13 1 18 11 23 1 19 13 14 1 20 13 15 2 21 13 16 2 22 17 14 ar 23 17 18 ar 24 17 24 1 25 18 19 ar 26 18 25 1 27 19 20 ar 28 19 22 1 29 20 21 ar 30 20 26 1 31 21 14 ar 32 21 27 1 33 22 28 1 34 22 29 1 35 22 30 1 36 31 32 2 37 31 36 1 38 32 37 1 39 32 38 1