@MOLECULE n-[(dihydroxyboryl)methyl]-nalpha-[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]-d-tyrosinamide 52 53 0 0 0 SMALL GASTEIGER @ATOM 1 C 3.3454 -0.2717 0.6986 C.2 1 UNL1111111111 0.5500 2 N 1.0028 0.3530 0.3699 N.am 1 UNL1111111111 -0.5718 3 O 3.9221 -0.9610 1.5155 O.2 1 UNL1111111111 -0.5419 4 C 1.9924 -0.6967 0.0869 C.3 1 UNL1111111111 -0.0003 5 C 1.5516 -2.0497 0.6916 C.3 1 UNL1111111111 -0.3058 6 C 0.1231 -2.3303 0.3470 C.ar 1 UNL1111111111 -0.0732 7 O -3.8274 -2.7648 -0.7429 O.3 1 UNL1111111111 -0.4846 8 C -2.5377 -2.6530 -0.3227 C.ar 1 UNL1111111111 0.2714 9 C -5.7137 2.7477 -0.7318 C.3 1 UNL1111111111 -0.4748 10 O 0.4805 0.6078 -1.8417 O.2 1 UNL1111111111 -0.5429 11 O -3.7276 1.9500 1.9600 O.2 1 UNL1111111111 -0.4364 12 O -1.1312 0.8087 1.8959 O.2 1 UNL1111111111 -0.4491 13 O 5.9042 0.3501 -1.6454 O.3 1 UNL1111111111 -0.5665 14 O 7.6100 1.2735 -0.1314 O.3 1 UNL1111111111 -0.5798 15 C -5.4252 1.3602 -0.1525 C.3 1 UNL1111111111 -0.0380 16 C 5.1820 1.3491 0.6238 C.3 1 UNL1111111111 -0.1167 17 C -3.3137 0.7519 -1.3824 C.3 1 UNL1111111111 -0.1101 18 C -2.0040 1.5586 -1.4911 C.3 1 UNL1111111111 -0.1017 19 N 3.8375 0.9267 0.2541 N.am 1 UNL1111111111 -0.5320 20 C 0.1586 0.6974 -0.6725 C.2 1 UNL1111111111 0.7215 21 C -3.2431 1.4589 0.9696 C.2 1 UNL1111111111 0.4872 22 C -1.7401 1.1309 0.9056 C.2 1 UNL1111111111 0.5161 23 B 6.3023 0.9499 -0.4618 B 1 UNL1111111111 0.4894 24 N -3.9895 1.0521 -0.1139 N.am 1 UNL1111111111 -0.4832 25 N -1.1312 1.2259 -0.3481 N.am 1 UNL1111111111 -0.5522 26 C -0.2369 -2.6121 -0.9759 C.ar 1 UNL1111111111 -0.0935 27 C -0.8610 -2.2504 1.3349 C.ar 1 UNL1111111111 -0.0801 28 C -1.5714 -2.7696 -1.3267 C.ar 1 UNL1111111111 -0.2525 29 C -2.2051 -2.4131 1.0099 C.ar 1 UNL1111111111 -0.3040 30 H 0.6565 0.3927 1.3335 H 1 UNL1111111111 0.3489 31 H 2.1286 -0.8106 -1.0261 H 1 UNL1111111111 0.1840 32 H 2.2246 -2.8532 0.3255 H 1 UNL1111111111 0.1728 33 H 1.7170 -2.0442 1.7921 H 1 UNL1111111111 0.1806 34 H -4.4662 -2.7197 0.0089 H 1 UNL1111111111 0.3307 35 H -6.7912 2.9486 -0.7461 H 1 UNL1111111111 0.1527 36 H -5.2468 3.5350 -0.1243 H 1 UNL1111111111 0.1654 37 H -5.3434 2.8554 -1.7558 H 1 UNL1111111111 0.1463 38 H 6.5467 0.0747 -2.2899 H 1 UNL1111111111 0.3331 39 H 8.3315 1.0511 -0.7082 H 1 UNL1111111111 0.3370 40 H -5.8246 1.2939 0.8908 H 1 UNL1111111111 0.1654 41 H -5.9361 0.5691 -0.7462 H 1 UNL1111111111 0.1393 42 H 5.2019 2.4503 0.7784 H 1 UNL1111111111 0.1478 43 H 5.4836 0.8797 1.5944 H 1 UNL1111111111 0.1798 44 H -3.9750 0.9770 -2.2455 H 1 UNL1111111111 0.1594 45 H -3.1028 -0.3482 -1.4207 H 1 UNL1111111111 0.1750 46 H -1.4893 1.3315 -2.4580 H 1 UNL1111111111 0.1944 47 H -2.1997 2.6552 -1.4859 H 1 UNL1111111111 0.1590 48 H 3.3680 1.4356 -0.4797 H 1 UNL1111111111 0.3184 49 H 0.5341 -2.6917 -1.7430 H 1 UNL1111111111 0.1586 50 H -0.5829 -2.0407 2.3701 H 1 UNL1111111111 0.1663 51 H -1.8716 -2.9770 -2.3497 H 1 UNL1111111111 0.1729 52 H -2.9703 -2.3432 1.7767 H 1 UNL1111111111 0.1679 @BOND 1 1 4 1 2 1 19 am 3 2 20 am 4 2 30 1 5 3 1 2 6 4 2 1 7 4 31 1 8 5 4 1 9 5 6 1 10 5 32 1 11 5 33 1 12 6 26 ar 13 7 34 1 14 8 7 1 15 8 28 ar 16 9 15 1 17 9 35 1 18 9 36 1 19 9 37 1 20 11 21 2 21 12 22 2 22 13 38 1 23 14 39 1 24 15 40 1 25 15 41 1 26 16 19 1 27 16 23 1 28 16 42 1 29 16 43 1 30 17 18 1 31 17 44 1 32 17 45 1 33 18 46 1 34 18 47 1 35 19 48 1 36 20 10 2 37 21 22 1 38 21 24 am 39 22 25 am 40 23 13 1 41 23 14 1 42 24 15 1 43 24 17 1 44 25 18 1 45 25 20 am 46 26 28 ar 47 26 49 1 48 27 6 ar 49 27 29 ar 50 27 50 1 51 28 51 1 52 29 8 ar 53 29 52 1