@MOLECULE (1r,2r,3r,4s,5r)-4-(benzylamino)-5-(methylthio)cyclopentane-1,2,3-triol 37 38 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.8195 -0.3029 -0.8678 C.3 1 UNL11111 0.0329 2 N 0.5898 -0.5799 -0.5983 N.3 1 UNL11111 -0.5421 3 C -1.6296 -1.6314 -0.7453 C.3 1 UNL11111 0.0885 4 O -1.1425 -2.3035 0.4057 O.3 1 UNL11111 -0.5719 5 C -3.0722 -1.1588 -0.4366 C.3 1 UNL11111 0.0303 6 O -3.8112 -2.2144 0.1101 O.3 1 UNL11111 -0.5388 7 C -2.8365 -0.0007 0.5711 C.3 1 UNL11111 0.1034 8 O -2.6325 -0.5664 1.8466 O.3 1 UNL11111 -0.5649 9 C -1.5401 0.6882 0.1018 C.3 1 UNL11111 -0.2956 10 S -1.8901 2.2598 -0.7696 S.3 1 UNL11111 -0.0159 11 C -2.1475 3.4141 0.6129 C.3 1 UNL11111 -0.4929 12 C 1.4597 0.6151 -0.6907 C.3 1 UNL11111 -0.1192 13 C 2.8538 0.2501 -0.2553 C.ar 1 UNL11111 -0.0203 14 C 3.4558 -0.9133 -0.7383 C.ar 1 UNL11111 -0.1429 15 C 4.7488 -1.2440 -0.3414 C.ar 1 UNL11111 -0.1479 16 C 3.5496 1.0831 0.6216 C.ar 1 UNL11111 -0.1717 17 C 4.8453 0.7518 1.0129 C.ar 1 UNL11111 -0.1434 18 C 5.4452 -0.4112 0.5335 C.ar 1 UNL11111 -0.1529 19 H -0.8894 0.0523 -1.9315 H 1 UNL11111 0.1612 20 H 0.7190 -1.0771 0.2832 H 1 UNL11111 0.2838 21 H -1.5271 -2.2878 -1.6246 H 1 UNL11111 0.1420 22 H -1.5698 -3.1866 0.4736 H 1 UNL11111 0.3401 23 H -3.6341 -0.8523 -1.3399 H 1 UNL11111 0.1564 24 H -3.8055 -2.1572 1.0986 H 1 UNL11111 0.3396 25 H -3.7138 0.6560 0.7192 H 1 UNL11111 0.1589 26 H -1.8683 -1.1980 1.8003 H 1 UNL11111 0.3455 27 H -0.8979 0.8930 0.9879 H 1 UNL11111 0.1797 28 H -2.5344 4.3570 0.2059 H 1 UNL11111 0.1725 29 H -2.8772 3.0375 1.3386 H 1 UNL11111 0.1688 30 H -1.2147 3.6310 1.1439 H 1 UNL11111 0.1644 31 H 1.4752 0.9445 -1.7590 H 1 UNL11111 0.1595 32 H 1.0761 1.4790 -0.1042 H 1 UNL11111 0.1287 33 H 2.9030 -1.5614 -1.4206 H 1 UNL11111 0.1696 34 H 5.2148 -2.1535 -0.7145 H 1 UNL11111 0.1491 35 H 3.0860 1.9904 1.0019 H 1 UNL11111 0.1497 36 H 5.3881 1.4017 1.6959 H 1 UNL11111 0.1479 37 H 6.4555 -0.6695 0.8423 H 1 UNL11111 0.1477 @BOND 1 1 2 1 2 1 3 1 3 1 9 1 4 1 19 1 5 2 12 1 6 2 20 1 7 3 4 1 8 3 5 1 9 3 21 1 10 4 22 1 11 5 6 1 12 5 7 1 13 5 23 1 14 6 24 1 15 7 8 1 16 7 9 1 17 7 25 1 18 8 26 1 19 9 10 1 20 9 27 1 21 10 11 1 22 11 28 1 23 11 29 1 24 11 30 1 25 12 13 1 26 12 31 1 27 12 32 1 28 13 14 ar 29 13 16 ar 30 14 15 ar 31 14 33 1 32 15 18 ar 33 15 34 1 34 16 17 ar 35 16 35 1 36 17 18 ar 37 17 36 1 38 18 37 1