@MOLECULE 5-({[(1s,2s,3s)-2-hydroxy-3-phenoxycyclopentyl]amino}methyl)-2-methyl-6,7-dihydro-1-benzothiophen-4(5h)-one 51 54 0 0 0 SMALL GASTEIGER @ATOM 1 S -5.8559 -0.9947 1.1841 S.2 1 UNL1111111111 0.1696 2 O 4.8021 0.6603 -0.2882 O.3 1 UNL1111111111 -0.3723 3 O 1.7566 0.0973 1.1563 O.3 1 UNL1111111111 -0.5735 4 O -2.8070 0.5953 -2.3040 O.2 1 UNL1111111111 -0.4513 5 N 0.2743 2.0464 0.0778 N.3 1 UNL1111111111 -0.5778 6 C 1.6725 2.0409 -0.3987 C.3 1 UNL1111111111 -0.0047 7 C 2.3915 0.7406 0.0825 C.3 1 UNL1111111111 0.1010 8 C 2.4653 3.2090 0.2309 C.3 1 UNL1111111111 -0.2986 9 C 3.7936 1.1801 0.5735 C.3 1 UNL1111111111 0.0704 10 C 3.9037 2.7007 0.3762 C.3 1 UNL1111111111 -0.2946 11 C -1.9970 1.1231 -0.1207 C.3 1 UNL1111111111 -0.2229 12 C -0.6044 1.2085 -0.7730 C.3 1 UNL1111111111 -0.1107 13 C -1.9437 0.2898 1.1680 C.3 1 UNL1111111111 -0.2520 14 C -3.3287 0.1866 1.8331 C.3 1 UNL1111111111 -0.2772 15 C -2.9896 0.5287 -1.1128 C.2 1 UNL1111111111 0.4783 16 C -4.1815 -0.0825 -0.5208 C.ar 1 UNL1111111111 -0.2143 17 C -4.3276 -0.2384 0.8328 C.ar 1 UNL1111111111 -0.0543 18 C 5.1609 -0.6449 -0.1573 C.ar 1 UNL1111111111 0.2586 19 C -5.2891 -0.5717 -1.2905 C.ar 1 UNL1111111111 -0.1478 20 C -6.2850 -1.0959 -0.5238 C.ar 1 UNL1111111111 -0.1033 21 C 4.5373 -1.5792 0.6675 C.ar 1 UNL1111111111 -0.2931 22 C 6.2511 -0.9889 -0.9729 C.ar 1 UNL1111111111 -0.2523 23 C -7.5590 -1.6823 -0.9643 C.3 1 UNL1111111111 -0.4310 24 C 5.0234 -2.8853 0.6775 C.ar 1 UNL1111111111 -0.0760 25 C 6.7140 -2.2970 -0.9455 C.ar 1 UNL1111111111 -0.0868 26 C 6.1052 -3.2467 -0.1217 C.ar 1 UNL1111111111 -0.2260 27 H 1.7432 2.0969 -1.5132 H 1 UNL1111111111 0.1331 28 H 2.4520 -0.0284 -0.7159 H 1 UNL1111111111 0.1492 29 H 2.0487 3.4745 1.2205 H 1 UNL1111111111 0.1517 30 H 2.4117 4.1189 -0.3852 H 1 UNL1111111111 0.1416 31 H 3.9789 0.8628 1.6188 H 1 UNL1111111111 0.1493 32 H 4.5031 2.9227 -0.5301 H 1 UNL1111111111 0.1668 33 H 4.4328 3.1833 1.2124 H 1 UNL1111111111 0.1493 34 H -0.0875 2.9942 0.1581 H 1 UNL1111111111 0.2637 35 H -2.3603 2.1539 0.1237 H 1 UNL1111111111 0.1644 36 H -0.6945 1.5994 -1.8128 H 1 UNL1111111111 0.1447 37 H -0.1570 0.1907 -0.8535 H 1 UNL1111111111 0.1623 38 H -1.2168 0.7420 1.8718 H 1 UNL1111111111 0.1567 39 H -1.5549 -0.7248 0.9476 H 1 UNL1111111111 0.1568 40 H -3.6141 1.1718 2.2682 H 1 UNL1111111111 0.1645 41 H -3.2720 -0.5080 2.6982 H 1 UNL1111111111 0.1620 42 H 0.9977 0.6398 1.4836 H 1 UNL1111111111 0.3518 43 H -5.2874 -0.5104 -2.3718 H 1 UNL1111111111 0.1832 44 H 3.6802 -1.3126 1.2844 H 1 UNL1111111111 0.1862 45 H 6.7103 -0.2351 -1.6054 H 1 UNL1111111111 0.1676 46 H -7.6553 -1.6686 -2.0637 H 1 UNL1111111111 0.1676 47 H -7.6677 -2.7357 -0.6566 H 1 UNL1111111111 0.1643 48 H -8.4333 -1.1379 -0.5699 H 1 UNL1111111111 0.1635 49 H 4.5471 -3.6284 1.3159 H 1 UNL1111111111 0.1462 50 H 7.5579 -2.5851 -1.5709 H 1 UNL1111111111 0.1458 51 H 6.4760 -4.2672 -0.1071 H 1 UNL1111111111 0.1504 @BOND 1 1 17 ar 2 1 20 ar 3 2 9 1 4 2 18 1 5 3 7 1 6 3 42 1 7 4 15 2 8 5 6 1 9 5 12 1 10 5 34 1 11 6 7 1 12 6 8 1 13 6 27 1 14 7 9 1 15 7 28 1 16 8 10 1 17 8 29 1 18 8 30 1 19 9 10 1 20 9 31 1 21 10 32 1 22 10 33 1 23 11 12 1 24 11 13 1 25 11 15 1 26 11 35 1 27 12 36 1 28 12 37 1 29 13 14 1 30 13 38 1 31 13 39 1 32 14 17 1 33 14 40 1 34 14 41 1 35 15 16 1 36 16 17 ar 37 16 19 ar 38 18 21 ar 39 18 22 ar 40 19 20 ar 41 19 43 1 42 20 23 1 43 21 24 ar 44 21 44 1 45 22 25 ar 46 22 45 1 47 23 46 1 48 23 47 1 49 23 48 1 50 24 26 ar 51 24 49 1 52 25 26 ar 53 25 50 1 54 26 51 1