@MOLECULE 2-hydroxy-5-[(1r)-1-hydroxy-2-{[(2r)-4-phenyl-2-butanyl]amino}ethyl]benzamide 48 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.9095 -2.2438 1.9638 O.3 1 UNL1111111111 -0.5556 2 O 2.1165 -2.5872 -1.7423 O.3 1 UNL1111111111 -0.4755 3 O 3.2862 -1.9142 0.4998 O.2 1 UNL1111111111 -0.5921 4 N -3.2175 0.6390 -0.2690 N.3 1 UNL1111111111 -0.5717 5 N 2.2450 -0.5035 1.8944 N.am 1 UNL1111111111 -0.6527 6 C -3.0774 2.1139 -0.1680 C.3 1 UNL1111111111 0.0844 7 C -1.6194 2.4903 0.1962 C.3 1 UNL1111111111 -0.2773 8 C -3.1095 -0.0538 1.0281 C.3 1 UNL1111111111 -0.1603 9 C -0.5959 1.8026 -0.7113 C.3 1 UNL1111111111 -0.2953 10 C -2.8097 -1.5497 0.7373 C.3 1 UNL1111111111 0.1573 11 C -3.4780 2.7233 -1.5208 C.3 1 UNL1111111111 -0.4699 12 C -1.4703 -1.7522 0.0883 C.ar 1 UNL1111111111 -0.1376 13 C 0.8324 2.0179 -0.3262 C.ar 1 UNL1111111111 0.0388 14 C -0.2962 -1.4696 0.7701 C.ar 1 UNL1111111111 -0.0493 15 C -1.4172 -2.2318 -1.2328 C.ar 1 UNL1111111111 -0.0302 16 C 1.8206 1.6532 -1.2514 C.ar 1 UNL1111111111 -0.1951 17 C 1.2190 2.5331 0.9114 C.ar 1 UNL1111111111 -0.2155 18 C 0.9502 -1.6966 0.1735 C.ar 1 UNL1111111111 -0.3216 19 C -0.2043 -2.4831 -1.8422 C.ar 1 UNL1111111111 -0.2721 20 C 0.9820 -2.2512 -1.1185 C.ar 1 UNL1111111111 0.3791 21 C 3.1671 1.8045 -0.9412 C.ar 1 UNL1111111111 -0.1138 22 C 2.5711 2.6884 1.2187 C.ar 1 UNL1111111111 -0.1400 23 C 3.5475 2.3239 0.2970 C.ar 1 UNL1111111111 -0.1776 24 C 2.2265 -1.3923 0.8417 C.2 1 UNL1111111111 0.6270 25 H -3.7490 2.5309 0.6290 H 1 UNL1111111111 0.1053 26 H -1.4328 2.2193 1.2527 H 1 UNL1111111111 0.1322 27 H -1.5019 3.5880 0.1352 H 1 UNL1111111111 0.1413 28 H -4.0778 0.3857 -0.7491 H 1 UNL1111111111 0.2589 29 H -2.2856 0.3832 1.6283 H 1 UNL1111111111 0.1452 30 H -4.0273 0.0190 1.6489 H 1 UNL1111111111 0.1272 31 H -0.7609 2.1272 -1.7606 H 1 UNL1111111111 0.1568 32 H -0.8085 0.7028 -0.7293 H 1 UNL1111111111 0.1919 33 H -3.6384 -2.0062 0.1453 H 1 UNL1111111111 0.1440 34 H -2.9255 2.2523 -2.3436 H 1 UNL1111111111 0.1636 35 H -4.5452 2.5952 -1.7252 H 1 UNL1111111111 0.1407 36 H -3.2610 3.7962 -1.5498 H 1 UNL1111111111 0.1525 37 H -0.3411 -1.0739 1.7855 H 1 UNL1111111111 0.1447 38 H -2.3465 -2.4107 -1.7765 H 1 UNL1111111111 0.1533 39 H 1.5306 1.2456 -2.2184 H 1 UNL1111111111 0.1572 40 H 0.4735 2.8352 1.6418 H 1 UNL1111111111 0.1490 41 H -2.0697 -2.2253 2.4617 H 1 UNL1111111111 0.3172 42 H -0.1379 -2.8690 -2.8567 H 1 UNL1111111111 0.1802 43 H 3.9281 1.5140 -1.6645 H 1 UNL1111111111 0.1530 44 H 2.8608 3.1052 2.1809 H 1 UNL1111111111 0.1430 45 H 4.6011 2.4445 0.5359 H 1 UNL1111111111 0.1510 46 H 2.9207 -2.4756 -1.1196 H 1 UNL1111111111 0.3862 47 H 3.1284 -0.2489 2.2975 H 1 UNL1111111111 0.3152 48 H 1.4794 0.1114 2.0770 H 1 UNL1111111111 0.3070 @BOND 1 1 10 1 2 1 41 1 3 2 20 1 4 2 46 1 5 3 24 2 6 4 6 1 7 4 8 1 8 4 28 1 9 5 24 am 10 5 47 1 11 5 48 1 12 6 7 1 13 6 11 1 14 6 25 1 15 7 9 1 16 7 26 1 17 7 27 1 18 8 10 1 19 8 29 1 20 8 30 1 21 9 13 1 22 9 31 1 23 9 32 1 24 10 12 1 25 10 33 1 26 11 34 1 27 11 35 1 28 11 36 1 29 12 14 ar 30 12 15 ar 31 13 16 ar 32 13 17 ar 33 14 18 ar 34 14 37 1 35 15 19 ar 36 15 38 1 37 16 21 ar 38 16 39 1 39 17 22 ar 40 17 40 1 41 18 20 ar 42 18 24 1 43 19 20 ar 44 19 42 1 45 21 23 ar 46 21 43 1 47 22 23 ar 48 22 44 1 49 23 45 1