@MOLECULE n-acetyl-d-phenylalanyl-n-[(1r)-4-amino-1-(dihydroxyboryl)butyl]-l-prolinamide 61 62 0 0 0 SMALL GASTEIGER @ATOM 1 B 4.3960 1.1447 1.3014 B 1 UNL1111111111 0.4538 2 C 3.9821 0.0712 0.1521 C.3 1 UNL1111111111 0.0179 3 C 5.1917 -0.4230 -0.6512 C.3 1 UNL1111111111 -0.2921 4 C 6.0430 -1.3798 0.1906 C.3 1 UNL1111111111 -0.2734 5 C 7.2189 -1.9209 -0.6424 C.3 1 UNL1111111111 -0.1024 6 C 1.7051 0.9058 -0.3721 C.2 1 UNL1111111111 0.5604 7 C 0.7364 1.4145 -1.4607 C.3 1 UNL1111111111 0.0144 8 C 0.8915 2.9404 -1.6163 C.3 1 UNL1111111111 -0.2841 9 C -0.1238 3.5448 -0.6279 C.3 1 UNL1111111111 -0.2757 10 C -1.1427 2.4233 -0.3204 C.3 1 UNL1111111111 -0.0590 11 C -1.0556 -0.0772 -0.7281 C.2 1 UNL1111111111 0.5308 12 C -3.5549 -0.0210 -0.9315 C.3 1 UNL1111111111 -0.3154 13 C -2.3834 -0.2725 0.0338 C.3 1 UNL1111111111 0.0415 14 C -2.7397 -2.7712 0.0349 C.2 1 UNL1111111111 0.6413 15 C -2.3625 -4.0222 0.7871 C.3 1 UNL1111111111 -0.5322 16 C -6.9560 -0.7983 0.5452 C.ar 1 UNL1111111111 -0.1450 17 C -7.2451 0.3897 1.2148 C.ar 1 UNL1111111111 -0.1662 18 C -6.3318 1.4422 1.1870 C.ar 1 UNL1111111111 -0.1452 19 C -5.1326 1.3095 0.4909 C.ar 1 UNL1111111111 -0.1834 20 C -4.8426 0.1191 -0.1806 C.ar 1 UNL1111111111 0.0283 21 C -5.7580 -0.9345 -0.1517 C.ar 1 UNL1111111111 -0.1522 22 N 2.9866 0.6491 -0.7722 N.am 1 UNL1111111111 -0.5795 23 N 7.9990 -2.8684 0.1884 N.3 1 UNL1111111111 -0.6485 24 N -0.6523 1.2216 -1.0235 N.am 1 UNL1111111111 -0.4905 25 N -2.3490 -1.5913 0.6632 N.am 1 UNL1111111111 -0.5975 26 O 5.7350 1.4831 1.4647 O.3 1 UNL1111111111 -0.5326 27 O 3.4440 1.6867 2.1616 O.3 1 UNL1111111111 -0.5774 28 O 1.3378 0.7598 0.7850 O.2 1 UNL1111111111 -0.5950 29 O -0.3867 -1.0057 -1.1264 O.2 1 UNL1111111111 -0.5082 30 O -3.3835 -2.7978 -0.9897 O.2 1 UNL1111111111 -0.5392 31 H 3.5002 -0.7892 0.6963 H 1 UNL1111111111 0.1573 32 H 4.8527 -0.9477 -1.5683 H 1 UNL1111111111 0.1396 33 H 5.8105 0.4311 -0.9918 H 1 UNL1111111111 0.1490 34 H 6.4263 -0.8656 1.0939 H 1 UNL1111111111 0.1554 35 H 5.4344 -2.2296 0.5592 H 1 UNL1111111111 0.1567 36 H 6.8380 -2.4827 -1.5238 H 1 UNL1111111111 0.1375 37 H 7.8334 -1.0807 -1.0286 H 1 UNL1111111111 0.1056 38 H 0.8933 0.8562 -2.4177 H 1 UNL1111111111 0.1726 39 H 0.6585 3.2454 -2.6523 H 1 UNL1111111111 0.1541 40 H 1.9172 3.2842 -1.4108 H 1 UNL1111111111 0.1506 41 H -0.6168 4.4340 -1.0494 H 1 UNL1111111111 0.1450 42 H 0.3813 3.8739 0.2975 H 1 UNL1111111111 0.1515 43 H -2.1534 2.6729 -0.7080 H 1 UNL1111111111 0.1424 44 H -1.2178 2.2536 0.7754 H 1 UNL1111111111 0.1400 45 H -3.3558 0.8903 -1.5341 H 1 UNL1111111111 0.1584 46 H -3.6168 -0.8411 -1.6883 H 1 UNL1111111111 0.2100 47 H -2.4446 0.4768 0.8768 H 1 UNL1111111111 0.1586 48 H -2.8791 -4.8920 0.3508 H 1 UNL1111111111 0.1850 49 H -1.2832 -4.2168 0.7114 H 1 UNL1111111111 0.1783 50 H -2.6348 -3.9753 1.8482 H 1 UNL1111111111 0.1711 51 H -7.6670 -1.6216 0.5669 H 1 UNL1111111111 0.1481 52 H -8.1810 0.4951 1.7574 H 1 UNL1111111111 0.1460 53 H -6.5571 2.3691 1.7088 H 1 UNL1111111111 0.1414 54 H -4.4275 2.1354 0.4693 H 1 UNL1111111111 0.1417 55 H -5.5276 -1.8673 -0.6726 H 1 UNL1111111111 0.1785 56 H 3.2780 0.7881 -1.7266 H 1 UNL1111111111 0.3104 57 H 8.7962 -3.2294 -0.3066 H 1 UNL1111111111 0.2436 58 H 8.3132 -2.4403 1.0436 H 1 UNL1111111111 0.2465 59 H -1.6787 -1.6526 1.4237 H 1 UNL1111111111 0.3112 60 H 5.9191 2.0963 2.1887 H 1 UNL1111111111 0.3383 61 H 2.5254 1.4086 1.9437 H 1 UNL1111111111 0.3821 @BOND 1 1 2 1 2 1 26 1 3 1 27 1 4 2 3 1 5 2 22 1 6 2 31 1 7 3 4 1 8 3 32 1 9 3 33 1 10 4 5 1 11 4 34 1 12 4 35 1 13 5 23 1 14 5 36 1 15 5 37 1 16 6 7 1 17 6 22 am 18 6 28 2 19 7 8 1 20 7 24 1 21 7 38 1 22 8 9 1 23 8 39 1 24 8 40 1 25 9 10 1 26 9 41 1 27 9 42 1 28 10 24 1 29 10 43 1 30 10 44 1 31 11 13 1 32 11 24 am 33 11 29 2 34 12 13 1 35 12 20 1 36 12 45 1 37 12 46 1 38 13 25 1 39 13 47 1 40 14 15 1 41 14 25 am 42 14 30 2 43 15 48 1 44 15 49 1 45 15 50 1 46 16 17 ar 47 16 21 ar 48 16 51 1 49 17 18 ar 50 17 52 1 51 18 19 ar 52 18 53 1 53 19 20 ar 54 19 54 1 55 20 21 ar 56 21 55 1 57 22 56 1 58 23 57 1 59 23 58 1 60 25 59 1 61 26 60 1 62 27 61 1