@MOLECULE 4-[(1r)-1-hydroxy-2-{[(2r)-4-(4-hydroxyphenyl)-2-butanyl]amino}ethyl]phenol 45 46 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.0619 0.0630 1.5105 O.3 1 UNL1111111111 -0.5746 2 O 4.4378 -1.0319 1.8135 O.3 1 UNL1111111111 -0.4824 3 O 0.0825 -3.9355 -1.0487 O.3 1 UNL1111111111 -0.4731 4 N -1.7176 2.1447 -0.2822 N.3 1 UNL1111111111 -0.5742 5 C -0.3926 2.7262 0.0210 C.3 1 UNL1111111111 0.0860 6 C 0.4267 2.7642 -1.2900 C.3 1 UNL1111111111 -0.2756 7 C 0.8058 1.3482 -1.7546 C.3 1 UNL1111111111 -0.2746 8 C -2.3851 1.5596 0.8952 C.3 1 UNL1111111111 -0.1279 9 C -3.2329 0.3589 0.3951 C.3 1 UNL1111111111 0.1540 10 C -0.4908 4.1413 0.6203 C.3 1 UNL1111111111 -0.5071 11 C 1.7970 0.7195 -0.8254 C.ar 1 UNL1111111111 -0.0464 12 C -2.3713 -0.8169 0.0370 C.ar 1 UNL1111111111 -0.1389 13 C 3.1587 0.9944 -0.9549 C.ar 1 UNL1111111111 -0.1039 14 C 1.3532 -0.1394 0.1873 C.ar 1 UNL1111111111 -0.1120 15 C -2.0132 -1.0219 -1.3000 C.ar 1 UNL1111111111 -0.0716 16 C -1.8982 -1.6706 1.0323 C.ar 1 UNL1111111111 -0.0749 17 C 4.0832 0.4222 -0.0828 C.ar 1 UNL1111111111 -0.3028 18 C 2.2517 -0.7199 1.0714 C.ar 1 UNL1111111111 -0.2404 19 C -1.1838 -2.0783 -1.6504 C.ar 1 UNL1111111111 -0.2513 20 C -1.0680 -2.7406 0.7061 C.ar 1 UNL1111111111 -0.3153 21 C 3.6106 -0.4271 0.9170 C.ar 1 UNL1111111111 0.2766 22 C -0.7227 -2.9237 -0.6342 C.ar 1 UNL1111111111 0.2974 23 H 0.1349 2.0565 0.7514 H 1 UNL1111111111 0.1481 24 H -0.1514 3.2712 -2.0832 H 1 UNL1111111111 0.1369 25 H 1.3403 3.3665 -1.1351 H 1 UNL1111111111 0.1391 26 H -2.3181 2.8114 -0.7582 H 1 UNL1111111111 0.2584 27 H 1.2053 1.3858 -2.7865 H 1 UNL1111111111 0.1406 28 H -0.1188 0.7302 -1.8186 H 1 UNL1111111111 0.1710 29 H -1.6439 1.1988 1.6396 H 1 UNL1111111111 0.1536 30 H -3.0458 2.2735 1.4310 H 1 UNL1111111111 0.1331 31 H -3.8998 0.6623 -0.4432 H 1 UNL1111111111 0.1251 32 H -0.9312 4.8523 -0.0844 H 1 UNL1111111111 0.1454 33 H -1.1040 4.1452 1.5274 H 1 UNL1111111111 0.1498 34 H 0.4992 4.5208 0.8949 H 1 UNL1111111111 0.1541 35 H 3.5044 1.6620 -1.7424 H 1 UNL1111111111 0.1489 36 H 0.2846 -0.3548 0.2784 H 1 UNL1111111111 0.1707 37 H -2.3747 -0.3360 -2.0677 H 1 UNL1111111111 0.1579 38 H -2.1741 -1.4919 2.0737 H 1 UNL1111111111 0.1632 39 H -4.5289 -0.7836 1.3779 H 1 UNL1111111111 0.3217 40 H 5.1407 0.6335 -0.1838 H 1 UNL1111111111 0.1550 41 H 1.9248 -1.3854 1.8645 H 1 UNL1111111111 0.1713 42 H -0.8837 -2.2548 -2.6794 H 1 UNL1111111111 0.1749 43 H -0.6977 -3.4079 1.4754 H 1 UNL1111111111 0.1615 44 H 5.3834 -0.8000 1.6618 H 1 UNL1111111111 0.3245 45 H 0.4514 -4.4540 -0.2939 H 1 UNL1111111111 0.3285 @BOND 1 1 9 1 2 1 39 1 3 2 21 1 4 2 44 1 5 3 22 1 6 3 45 1 7 4 5 1 8 4 8 1 9 4 26 1 10 5 6 1 11 5 10 1 12 5 23 1 13 6 7 1 14 6 24 1 15 6 25 1 16 7 11 1 17 7 27 1 18 7 28 1 19 8 9 1 20 8 29 1 21 8 30 1 22 9 12 1 23 9 31 1 24 10 32 1 25 10 33 1 26 10 34 1 27 11 13 ar 28 11 14 ar 29 12 15 ar 30 12 16 ar 31 13 17 ar 32 13 35 1 33 14 18 ar 34 14 36 1 35 15 19 ar 36 15 37 1 37 16 20 ar 38 16 38 1 39 17 21 ar 40 17 40 1 41 18 21 ar 42 18 41 1 43 19 22 ar 44 19 42 1 45 20 22 ar 46 20 43 1