@MOLECULE 4-[(1r)-1-hydroxy-2-(isopropylamino)ethyl]phenol 31 31 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.7309 1.1450 1.4232 O.3 1 UNL1111111111 -0.5633 2 O 4.9108 0.0778 -0.8383 O.3 1 UNL1111111111 -0.4774 3 N -2.7191 -0.4952 0.3103 N.3 1 UNL1111111111 -0.5873 4 C -1.3357 -0.5507 -0.2041 C.3 1 UNL1111111111 -0.1741 5 C -0.4008 -0.1549 0.9723 C.3 1 UNL1111111111 0.1560 6 C -3.7254 -0.2121 -0.7471 C.3 1 UNL1111111111 0.1055 7 C 1.0246 -0.1136 0.5006 C.ar 1 UNL1111111111 -0.1196 8 C -3.8654 1.3144 -0.8737 C.3 1 UNL1111111111 -0.4592 9 C -5.0724 -0.8361 -0.3500 C.3 1 UNL1111111111 -0.4816 10 C 1.7667 -1.2918 0.4336 C.ar 1 UNL1111111111 -0.0916 11 C 1.5997 1.1067 0.1288 C.ar 1 UNL1111111111 -0.0526 12 C 3.0846 -1.2704 -0.0164 C.ar 1 UNL1111111111 -0.3101 13 C 2.9127 1.1551 -0.3189 C.ar 1 UNL1111111111 -0.2536 14 C 3.6343 -0.0419 -0.3854 C.ar 1 UNL1111111111 0.2914 15 H -1.0517 -1.5413 -0.6090 H 1 UNL1111111111 0.1233 16 H -1.2036 0.1855 -1.0271 H 1 UNL1111111111 0.1579 17 H -0.5338 -0.8371 1.8431 H 1 UNL1111111111 0.1274 18 H -3.4067 -0.6349 -1.7350 H 1 UNL1111111111 0.1126 19 H -2.9498 -1.3329 0.8376 H 1 UNL1111111111 0.2623 20 H -4.6005 1.5839 -1.6367 H 1 UNL1111111111 0.1421 21 H -4.1824 1.7589 0.0774 H 1 UNL1111111111 0.1568 22 H -2.9101 1.7808 -1.1406 H 1 UNL1111111111 0.1518 23 H -5.0236 -1.9292 -0.3198 H 1 UNL1111111111 0.1428 24 H -5.8565 -0.5617 -1.0636 H 1 UNL1111111111 0.1543 25 H -5.3961 -0.4866 0.6388 H 1 UNL1111111111 0.1601 26 H 1.3195 -2.2378 0.7356 H 1 UNL1111111111 0.1476 27 H 1.0078 2.0241 0.2024 H 1 UNL1111111111 0.1758 28 H -1.7132 1.2496 1.3941 H 1 UNL1111111111 0.3441 29 H 3.6649 -2.1836 -0.0731 H 1 UNL1111111111 0.1579 30 H 3.3834 2.0897 -0.6105 H 1 UNL1111111111 0.1750 31 H 5.3830 -0.7877 -0.8584 H 1 UNL1111111111 0.3254 @BOND 1 1 5 1 2 1 28 1 3 2 14 1 4 2 31 1 5 3 4 1 6 3 6 1 7 3 19 1 8 4 5 1 9 4 15 1 10 4 16 1 11 5 7 1 12 5 17 1 13 6 8 1 14 6 9 1 15 6 18 1 16 7 10 ar 17 7 11 ar 18 8 20 1 19 8 21 1 20 8 22 1 21 9 23 1 22 9 24 1 23 9 25 1 24 10 12 ar 25 10 26 1 26 11 13 ar 27 11 27 1 28 12 14 ar 29 12 29 1 30 13 14 ar 31 13 30 1