@MOLECULE n~2~-[(2r)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetyl]-n-{[2-(iminomethyl)-4-pyrimidinyl]methyl}-l-isoleucinamide 60 61 0 0 0 SMALL GASTEIGER @ATOM 1 C -3.0647 1.6903 -1.3031 C.ar 1 UNL111111111 0.0390 2 C -2.7974 2.6883 -0.3725 C.ar 1 UNL111111111 -0.2013 3 C -2.7689 2.3063 0.9628 C.ar 1 UNL111111111 0.0513 4 C -2.9831 0.9978 1.3784 C.ar 1 UNL111111111 -0.2179 5 C -4.6740 -3.4577 0.3169 C.3 1 UNL111111111 -0.2831 6 C -5.7740 -1.3223 0.6292 C.3 1 UNL111111111 -0.2872 7 C -2.0586 -2.1538 0.3799 C.2 1 UNL111111111 0.5796 8 C -3.3586 -1.4321 0.8109 C.3 1 UNL111111111 -0.0597 9 C -3.2340 0.0233 0.4101 C.ar 1 UNL111111111 0.0152 10 C -3.2954 0.3707 -0.9426 C.ar 1 UNL111111111 -0.1708 11 CL -3.0760 2.0950 -2.9596 Cl 1 UNL111111111 -0.0605 12 CL -2.4336 3.4919 2.1431 Cl 1 UNL111111111 -0.0627 13 O -1.9938 -3.3050 0.0085 O.2 1 UNL111111111 -0.5273 14 N -4.5521 -1.9967 0.1254 N.3 1 UNL111111111 -0.3669 15 N -0.9158 -1.3947 0.5071 N.am 1 UNL111111111 -0.5926 16 C 0.3771 -1.9066 0.0661 C.3 1 UNL111111111 0.0024 17 C 1.4211 -1.3614 1.0521 C.2 1 UNL111111111 0.5576 18 O 1.1851 -0.4678 1.8409 O.2 1 UNL111111111 -0.5451 19 C 0.7381 -1.4852 -1.3925 C.3 1 UNL111111111 -0.1050 20 C 0.2566 -0.0764 -1.7789 C.3 1 UNL111111111 -0.2556 21 C 0.1242 -2.5090 -2.3537 C.3 1 UNL111111111 -0.4537 22 C 0.9891 1.0363 -1.0358 C.3 1 UNL111111111 -0.4581 23 C 3.7275 -1.4371 1.8723 C.3 1 UNL111111111 -0.0718 24 C 4.3719 -0.2554 1.1755 C.ar 1 UNL111111111 0.1980 25 C 6.0886 0.5218 -0.1578 C.ar 1 UNL111111111 0.3190 26 C 4.4722 2.0331 0.5000 C.ar 1 UNL111111111 0.1084 27 C 3.7999 1.0226 1.1961 C.ar 1 UNL111111111 -0.3141 28 N 2.6569 -1.9795 1.0354 N.am 1 UNL111111111 -0.5853 29 N 5.5167 -0.5080 0.5080 N.ar 1 UNL111111111 -0.4380 30 N 5.6148 1.7901 -0.1720 N.ar 1 UNL111111111 -0.4208 31 C 7.3591 0.2505 -0.9036 C.2 1 UNL111111111 0.0991 32 N 7.2677 -0.2443 -2.0753 N.2 1 UNL111111111 -0.4461 33 H -2.6144 3.7196 -0.6771 H 1 UNL111111111 0.1901 34 H -2.9451 0.7351 2.4368 H 1 UNL111111111 0.1842 35 H -4.4278 -3.8103 1.3274 H 1 UNL111111111 0.1259 36 H -5.6919 -3.7905 0.0647 H 1 UNL111111111 0.1388 37 H -3.9897 -3.9593 -0.3973 H 1 UNL111111111 0.1827 38 H -5.9866 -1.4983 1.6930 H 1 UNL111111111 0.1227 39 H -5.7015 -0.2353 0.4599 H 1 UNL111111111 0.1499 40 H -6.6347 -1.6760 0.0362 H 1 UNL111111111 0.1514 41 H -3.4273 -1.5377 1.9288 H 1 UNL111111111 0.1541 42 H -3.5231 -0.4020 -1.6870 H 1 UNL111111111 0.2060 43 H -0.9139 -0.4334 0.8340 H 1 UNL111111111 0.3366 44 H 0.3605 -3.0348 0.1244 H 1 UNL111111111 0.1882 45 H 1.8496 -1.5142 -1.5016 H 1 UNL111111111 0.1372 46 H 0.3998 0.0628 -2.8709 H 1 UNL111111111 0.1463 47 H -0.8358 0.0114 -1.6212 H 1 UNL111111111 0.1447 48 H -0.9642 -2.5872 -2.2145 H 1 UNL111111111 0.1686 49 H 0.3037 -2.2379 -3.3995 H 1 UNL111111111 0.1482 50 H 0.5344 -3.5128 -2.2003 H 1 UNL111111111 0.1442 51 H 0.6837 2.0222 -1.4073 H 1 UNL111111111 0.1482 52 H 0.7815 1.0225 0.0407 H 1 UNL111111111 0.1543 53 H 2.0750 0.9632 -1.1642 H 1 UNL111111111 0.1442 54 H 4.4795 -2.2399 2.0719 H 1 UNL111111111 0.1741 55 H 3.3122 -1.1192 2.8626 H 1 UNL111111111 0.1824 56 H 4.1050 3.0674 0.4669 H 1 UNL111111111 0.1846 57 H 2.8658 1.2121 1.7268 H 1 UNL111111111 0.2097 58 H 2.9330 -2.6199 0.3072 H 1 UNL111111111 0.3213 59 H 8.2631 0.5212 -0.3385 H 1 UNL111111111 0.1491 60 H 8.0926 -0.4416 -2.6199 H 1 UNL111111111 0.2662 @BOND 1 1 11 1 2 2 1 ar 3 2 33 1 4 3 2 ar 5 4 3 ar 6 4 9 ar 7 4 34 1 8 5 14 1 9 5 35 1 10 5 36 1 11 5 37 1 12 6 38 1 13 6 39 1 14 6 40 1 15 7 13 2 16 7 8 1 17 8 9 1 18 8 41 1 19 9 10 ar 20 10 1 ar 21 10 42 1 22 12 3 1 23 14 8 1 24 14 6 1 25 15 7 am 26 15 43 1 27 16 15 1 28 16 44 1 29 17 16 1 30 17 18 2 31 19 21 1 32 19 16 1 33 19 45 1 34 20 19 1 35 20 46 1 36 20 47 1 37 21 48 1 38 21 49 1 39 21 50 1 40 22 20 1 41 22 51 1 42 22 52 1 43 22 53 1 44 23 28 1 45 23 54 1 46 23 55 1 47 24 23 1 48 25 29 ar 49 26 27 ar 50 26 56 1 51 27 24 ar 52 27 57 1 53 28 17 am 54 28 58 1 55 29 24 ar 56 30 26 ar 57 30 25 ar 58 31 25 1 59 31 59 1 60 32 31 2 61 32 60 1