@MOLECULE (2s,3r)-3-(3,4-dihydroxyphenyl)-2-{[3-(4-fluorophenyl)propyl]amino}-3-hydroxy-1-(1-pyrrolidinyl)-1-propanone 56 58 0 0 0 SMALL GASTEIGER @ATOM 1 F -9.1646 0.7925 0.4933 F 1 UNL1111111111 -0.1750 2 O 1.4185 2.7643 -0.6474 O.3 1 UNL1111111111 -0.5745 3 O 1.5856 -0.4678 2.0381 O.2 1 UNL1111111111 -0.5107 4 O 6.5748 1.2016 1.5970 O.3 1 UNL1111111111 -0.4235 5 O 7.2181 0.3307 -0.7492 O.3 1 UNL1111111111 -0.4196 6 N 1.3187 -1.8583 0.2775 N.am 1 UNL1111111111 -0.5174 7 N -0.4968 0.9071 0.3259 N.3 1 UNL1111111111 -0.5217 8 C 1.4940 -2.1079 -1.1667 C.3 1 UNL1111111111 -0.0610 9 C 1.7874 -3.0107 1.0728 C.3 1 UNL1111111111 -0.0547 10 C 2.0824 -3.5306 -1.2891 C.3 1 UNL1111111111 -0.2795 11 C 1.8317 -4.1872 0.0802 C.3 1 UNL1111111111 -0.2838 12 C 0.8948 0.5710 -0.0374 C.3 1 UNL1111111111 -0.0686 13 C 1.3195 -0.6026 0.8623 C.2 1 UNL1111111111 0.5695 14 C 1.8476 1.7578 0.2604 C.3 1 UNL1111111111 0.1446 15 C -1.4488 0.0252 -0.3896 C.3 1 UNL1111111111 -0.1179 16 C 3.2769 1.3764 -0.0280 C.ar 1 UNL1111111111 -0.0904 17 C -2.8876 0.4289 -0.0324 C.3 1 UNL1111111111 -0.2679 18 C -3.8730 -0.5158 -0.7375 C.3 1 UNL1111111111 -0.2847 19 C 4.2354 1.4482 0.9919 C.ar 1 UNL1111111111 -0.2299 20 C 3.6406 0.9613 -1.3051 C.ar 1 UNL1111111111 -0.1412 21 C -5.2865 -0.1523 -0.4013 C.ar 1 UNL1111111111 -0.0135 22 C 5.5523 1.1110 0.7116 C.ar 1 UNL1111111111 0.1947 23 C 4.9553 0.5760 -1.5823 C.ar 1 UNL1111111111 -0.2628 24 C 5.9116 0.6547 -0.5792 C.ar 1 UNL1111111111 0.2030 25 C -5.9158 -0.7363 0.7016 C.ar 1 UNL1111111111 -0.1321 26 C -5.9852 0.7665 -1.1886 C.ar 1 UNL1111111111 -0.1358 27 C -7.2351 -0.4235 1.0156 C.ar 1 UNL1111111111 -0.2125 28 C -7.3067 1.0999 -0.8936 C.ar 1 UNL1111111111 -0.2123 29 C -7.9062 0.4904 0.2054 C.ar 1 UNL1111111111 0.1850 30 H 0.5046 -2.0366 -1.6700 H 1 UNL1111111111 0.1347 31 H 2.1654 -1.3587 -1.6357 H 1 UNL1111111111 0.1306 32 H 2.7850 -2.8032 1.5139 H 1 UNL1111111111 0.1408 33 H 1.0889 -3.1808 1.9184 H 1 UNL1111111111 0.1513 34 H 1.6150 -4.0999 -2.1082 H 1 UNL1111111111 0.1416 35 H 3.1621 -3.4893 -1.5114 H 1 UNL1111111111 0.1438 36 H 2.6142 -4.9158 0.3416 H 1 UNL1111111111 0.1429 37 H 0.8749 -4.7373 0.0816 H 1 UNL1111111111 0.1454 38 H 0.9895 0.3206 -1.1245 H 1 UNL1111111111 0.1404 39 H 1.6912 2.1415 1.2961 H 1 UNL1111111111 0.1628 40 H -0.6817 1.9030 0.1344 H 1 UNL1111111111 0.2795 41 H -1.2556 -1.0196 -0.0505 H 1 UNL1111111111 0.1521 42 H -1.3103 0.0464 -1.4937 H 1 UNL1111111111 0.1080 43 H -3.0869 1.4715 -0.3198 H 1 UNL1111111111 0.1419 44 H -3.0266 0.3905 1.0688 H 1 UNL1111111111 0.1642 45 H -3.6600 -1.5674 -0.4542 H 1 UNL1111111111 0.1514 46 H -3.7095 -0.4763 -1.8338 H 1 UNL1111111111 0.1454 47 H 2.0959 3.4650 -0.7257 H 1 UNL1111111111 0.3296 48 H 3.9424 1.7513 1.9954 H 1 UNL1111111111 0.1763 49 H 2.9015 0.9436 -2.1033 H 1 UNL1111111111 0.1585 50 H 5.2201 0.2259 -2.5749 H 1 UNL1111111111 0.1604 51 H -5.3746 -1.4482 1.3224 H 1 UNL1111111111 0.1592 52 H -5.4957 1.2282 -2.0431 H 1 UNL1111111111 0.1555 53 H -7.7267 -0.8793 1.8736 H 1 UNL1111111111 0.1722 54 H -7.8490 1.8158 -1.5085 H 1 UNL1111111111 0.1716 55 H 6.2618 1.4664 2.4967 H 1 UNL1111111111 0.3198 56 H 7.3914 0.0067 -1.6668 H 1 UNL1111111111 0.3144 @BOND 1 1 29 1 2 2 14 1 3 2 47 1 4 3 13 2 5 4 22 1 6 4 55 1 7 5 24 1 8 5 56 1 9 6 8 1 10 6 9 1 11 6 13 am 12 7 12 1 13 7 15 1 14 7 40 1 15 8 10 1 16 8 30 1 17 8 31 1 18 9 11 1 19 9 32 1 20 9 33 1 21 10 11 1 22 10 34 1 23 10 35 1 24 11 36 1 25 11 37 1 26 12 13 1 27 12 14 1 28 12 38 1 29 14 16 1 30 14 39 1 31 15 17 1 32 15 41 1 33 15 42 1 34 16 19 ar 35 16 20 ar 36 17 18 1 37 17 43 1 38 17 44 1 39 18 21 1 40 18 45 1 41 18 46 1 42 19 22 ar 43 19 48 1 44 20 23 ar 45 20 49 1 46 21 25 ar 47 21 26 ar 48 22 24 ar 49 23 24 ar 50 23 50 1 51 25 27 ar 52 25 51 1 53 26 28 ar 54 26 52 1 55 27 29 ar 56 27 53 1 57 28 29 ar 58 28 54 1