@MOLECULE (1s,2r)-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-[(4-phenylbutyl)amino]-1-propanol 51 53 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.6138 2.0804 0.9799 S.3 1 UNL1111111111 0.0148 2 O 3.5485 2.1722 -0.9899 O.3 1 UNL1111111111 -0.5501 3 N 3.4940 -1.1412 0.5839 N.3 1 UNL1111111111 -0.5717 4 C 3.5649 -0.2104 -0.5539 C.3 1 UNL1111111111 0.0344 5 C 3.2623 1.2124 0.0154 C.3 1 UNL1111111111 0.1309 6 C 1.7943 1.3730 0.3016 C.ar 1 UNL1111111111 -0.0142 7 C 3.1422 -2.5276 0.2058 C.3 1 UNL1111111111 -0.0955 8 C 1.8104 -2.9014 0.8882 C.3 1 UNL1111111111 -0.2664 9 C -0.4416 1.7721 -0.4762 C.ar 1 UNL1111111111 -0.0094 10 C 0.9064 1.5991 -0.7559 C.ar 1 UNL1111111111 -0.1557 11 C 4.9295 -0.2298 -1.2613 C.3 1 UNL1111111111 -0.5033 12 C -1.4867 2.0116 -1.5222 C.3 1 UNL1111111111 -0.2756 13 C 0.6215 -2.2002 0.2211 C.3 1 UNL1111111111 -0.2557 14 C -0.8901 1.7373 0.8492 C.ar 1 UNL1111111111 -0.0905 15 C 1.3320 1.2947 1.6146 C.ar 1 UNL1111111111 -0.1476 16 C -2.8547 2.1895 -0.8525 C.3 1 UNL1111111111 -0.3137 17 C -0.6954 -2.7305 0.8046 C.3 1 UNL1111111111 -0.2929 18 C -0.0230 1.4803 1.8989 C.ar 1 UNL1111111111 -0.1463 19 C -1.8966 -2.1319 0.1398 C.ar 1 UNL1111111111 0.0308 20 C -2.8830 -1.5144 0.9117 C.ar 1 UNL1111111111 -0.1763 21 C -2.0653 -2.2260 -1.2442 C.ar 1 UNL1111111111 -0.1880 22 C -4.0323 -1.0101 0.3077 C.ar 1 UNL1111111111 -0.1193 23 C -3.2104 -1.7128 -1.8472 C.ar 1 UNL1111111111 -0.1388 24 C -4.1999 -1.1093 -1.0722 C.ar 1 UNL1111111111 -0.1871 25 H 2.7609 -0.4663 -1.2925 H 1 UNL1111111111 0.1558 26 H 3.8877 1.4279 0.9085 H 1 UNL1111111111 0.1230 27 H 4.3332 -1.1102 1.1524 H 1 UNL1111111111 0.2572 28 H 3.0481 -2.6501 -0.8935 H 1 UNL1111111111 0.1288 29 H 3.9346 -3.2350 0.5289 H 1 UNL1111111111 0.1119 30 H 1.6795 -3.9978 0.8537 H 1 UNL1111111111 0.1268 31 H 1.8546 -2.6208 1.9587 H 1 UNL1111111111 0.1496 32 H 1.2796 1.6539 -1.7777 H 1 UNL1111111111 0.1719 33 H 5.1841 -1.2429 -1.5917 H 1 UNL1111111111 0.1497 34 H 5.7370 0.1172 -0.6110 H 1 UNL1111111111 0.1426 35 H 4.9168 0.4028 -2.1576 H 1 UNL1111111111 0.1612 36 H -1.2259 2.9030 -2.1297 H 1 UNL1111111111 0.1600 37 H -1.5106 1.1603 -2.2348 H 1 UNL1111111111 0.1619 38 H 0.6956 -1.1031 0.3813 H 1 UNL1111111111 0.1656 39 H 0.6486 -2.3451 -0.8728 H 1 UNL1111111111 0.1323 40 H 2.0275 1.0803 2.4242 H 1 UNL1111111111 0.1579 41 H -3.3115 3.1609 -1.0963 H 1 UNL1111111111 0.1568 42 H -3.5628 1.4012 -1.1631 H 1 UNL1111111111 0.1632 43 H -0.7102 -2.5368 1.8970 H 1 UNL1111111111 0.1487 44 H -0.7375 -3.8356 0.7001 H 1 UNL1111111111 0.1482 45 H -0.3746 1.4268 2.9272 H 1 UNL1111111111 0.1598 46 H 4.5104 2.3179 -1.0641 H 1 UNL1111111111 0.3112 47 H -2.7550 -1.4209 1.9878 H 1 UNL1111111111 0.1538 48 H -1.3033 -2.7072 -1.8522 H 1 UNL1111111111 0.1514 49 H -4.8001 -0.5369 0.9175 H 1 UNL1111111111 0.1500 50 H -3.3374 -1.7910 -2.9244 H 1 UNL1111111111 0.1433 51 H -5.1006 -0.7234 -1.5410 H 1 UNL1111111111 0.1447 @BOND 1 1 14 1 2 1 16 1 3 2 5 1 4 2 46 1 5 3 4 1 6 3 7 1 7 3 27 1 8 4 5 1 9 4 11 1 10 4 25 1 11 5 6 1 12 5 26 1 13 6 10 ar 14 6 15 ar 15 7 8 1 16 7 28 1 17 7 29 1 18 8 13 1 19 8 30 1 20 8 31 1 21 9 10 ar 22 9 12 1 23 9 14 ar 24 10 32 1 25 11 33 1 26 11 34 1 27 11 35 1 28 12 16 1 29 12 36 1 30 12 37 1 31 13 17 1 32 13 38 1 33 13 39 1 34 14 18 ar 35 15 18 ar 36 15 40 1 37 16 41 1 38 16 42 1 39 17 19 1 40 17 43 1 41 17 44 1 42 18 45 1 43 19 20 ar 44 19 21 ar 45 20 22 ar 46 20 47 1 47 21 23 ar 48 21 48 1 49 22 24 ar 50 22 49 1 51 23 24 ar 52 23 50 1 53 24 51 1