@MOLECULE n-(benzylsulfonyl)-d-leucyl-n-[2-(aminomethyl)-5-chlorobenzyl]-l-prolinamide 71 73 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.7884 0.7193 0.9861 C.3 1 UNL1111111111 -0.5823 2 S -3.0194 0.9455 0.7780 S.O2 1 UNL1111111111 2.3399 3 C -5.5671 1.7388 0.2284 C.ar 1 UNL1111111111 0.0049 4 C -5.6231 1.6884 -1.1677 C.ar 1 UNL1111111111 -0.1521 5 C -6.3744 2.6280 -1.8686 C.ar 1 UNL1111111111 -0.1451 6 C -7.0746 3.6194 -1.1826 C.ar 1 UNL1111111111 -0.1521 7 C -7.0155 3.6741 0.2086 C.ar 1 UNL1111111111 -0.1471 8 C -6.2635 2.7371 0.9141 C.ar 1 UNL1111111111 -0.1575 9 O -2.5568 2.0055 1.6326 O.2 1 UNL1111111111 -0.8763 10 O -2.7090 0.8806 -0.6316 O.2 1 UNL1111111111 -0.9212 11 N -2.4418 -0.5477 1.4801 N.3 1 UNL1111111111 -0.8521 12 C -1.9616 -1.5911 0.5699 C.3 1 UNL1111111111 0.0216 13 C -2.4269 -2.9747 1.0749 C.3 1 UNL1111111111 -0.3069 14 C -3.9221 -3.2118 0.7967 C.3 1 UNL1111111111 -0.0431 15 C -4.2139 -3.2982 -0.7057 C.3 1 UNL1111111111 -0.4612 16 C -4.3621 -4.5109 1.4835 C.3 1 UNL1111111111 -0.4638 17 C -0.4235 -1.5969 0.5618 C.2 1 UNL1111111111 0.5323 18 O 0.2080 -1.1206 1.4959 O.2 1 UNL1111111111 -0.5923 19 N 0.2380 -2.1417 -0.4992 N.am 1 UNL1111111111 -0.4923 20 C 1.6963 -2.3270 -0.4958 C.3 1 UNL1111111111 0.0089 21 C 2.4017 -1.0384 -0.9828 C.2 1 UNL1111111111 0.5584 22 O 3.0858 -1.0250 -1.9867 O.2 1 UNL1111111111 -0.5565 23 C 1.9470 -3.4828 -1.4807 C.3 1 UNL1111111111 -0.2730 24 C 0.7447 -3.4664 -2.4427 C.3 1 UNL1111111111 -0.2787 25 C -0.3826 -2.7109 -1.7072 C.3 1 UNL1111111111 -0.0705 26 N 2.2436 0.0533 -0.1748 N.am 1 UNL1111111111 -0.5799 27 C 2.8923 1.3238 -0.5145 C.3 1 UNL1111111111 -0.0710 28 C 4.3694 1.2463 -0.2098 C.ar 1 UNL1111111111 0.0175 29 C 5.3383 1.3040 -1.2189 C.ar 1 UNL1111111111 -0.0067 30 C 4.9607 1.4341 -2.6707 C.3 1 UNL1111111111 -0.1296 31 N 4.3666 2.7722 -2.9144 N.3 1 UNL1111111111 -0.6405 32 C 6.6943 1.2150 -0.8897 C.ar 1 UNL1111111111 -0.1581 33 C 7.0971 1.0620 0.4345 C.ar 1 UNL1111111111 -0.1776 34 C 6.1140 1.0026 1.4120 C.ar 1 UNL1111111111 0.0247 35 CL 6.5929 0.8067 3.0462 Cl 1 UNL1111111111 -0.1007 36 C 4.7615 1.0939 1.1234 C.ar 1 UNL1111111111 -0.1793 37 H -5.0383 0.7399 2.0687 H 1 UNL1111111111 0.1894 38 H -5.0753 -0.3047 0.6570 H 1 UNL1111111111 0.1900 39 H -5.0596 0.9298 -1.7143 H 1 UNL1111111111 0.1701 40 H -6.4101 2.5912 -2.9556 H 1 UNL1111111111 0.1487 41 H -7.6615 4.3517 -1.7328 H 1 UNL1111111111 0.1497 42 H -7.5547 4.4522 0.7453 H 1 UNL1111111111 0.1489 43 H -6.2142 2.7942 2.0001 H 1 UNL1111111111 0.1544 44 H -1.8276 -0.4463 2.2980 H 1 UNL1111111111 0.3270 45 H -2.3461 -1.4179 -0.4742 H 1 UNL1111111111 0.1804 46 H -1.8240 -3.7778 0.6140 H 1 UNL1111111111 0.1415 47 H -2.2368 -3.0504 2.1653 H 1 UNL1111111111 0.1617 48 H -4.5019 -2.3617 1.2338 H 1 UNL1111111111 0.1400 49 H -3.6336 -4.0930 -1.1840 H 1 UNL1111111111 0.1394 50 H -5.2709 -3.5185 -0.8877 H 1 UNL1111111111 0.1437 51 H -3.9904 -2.3590 -1.2248 H 1 UNL1111111111 0.1485 52 H -4.2008 -4.4675 2.5659 H 1 UNL1111111111 0.1461 53 H -5.4277 -4.7057 1.3215 H 1 UNL1111111111 0.1421 54 H -3.8108 -5.3773 1.1025 H 1 UNL1111111111 0.1452 55 H 2.0567 -2.5674 0.5385 H 1 UNL1111111111 0.1744 56 H 2.9019 -3.3486 -2.0271 H 1 UNL1111111111 0.1822 57 H 2.0207 -4.4441 -0.9460 H 1 UNL1111111111 0.1441 58 H 0.4370 -4.4845 -2.7239 H 1 UNL1111111111 0.1435 59 H 1.0144 -2.9442 -3.3797 H 1 UNL1111111111 0.1605 60 H -1.2184 -3.3885 -1.4373 H 1 UNL1111111111 0.1339 61 H -0.7973 -1.8894 -2.3345 H 1 UNL1111111111 0.1521 62 H 1.6082 0.0332 0.6168 H 1 UNL1111111111 0.3434 63 H 2.7081 1.5697 -1.5936 H 1 UNL1111111111 0.1937 64 H 2.4172 2.1490 0.0662 H 1 UNL1111111111 0.1574 65 H 5.8292 1.2228 -3.3303 H 1 UNL1111111111 0.1151 66 H 4.1865 0.6603 -2.9289 H 1 UNL1111111111 0.1941 67 H 4.9587 3.5081 -2.5662 H 1 UNL1111111111 0.2482 68 H 4.1978 2.9247 -3.8952 H 1 UNL1111111111 0.2472 69 H 7.4479 1.2571 -1.6750 H 1 UNL1111111111 0.1547 70 H 8.1536 0.9881 0.6864 H 1 UNL1111111111 0.1696 71 H 4.0104 1.0361 1.9121 H 1 UNL1111111111 0.1784 @BOND 1 1 2 1 2 1 37 1 3 1 38 1 4 2 11 1 5 2 10 2 6 3 4 ar 7 3 1 1 8 3 8 ar 9 4 5 ar 10 4 39 1 11 5 40 1 12 6 7 ar 13 6 5 ar 14 6 41 1 15 7 8 ar 16 7 42 1 17 8 43 1 18 9 2 2 19 11 12 1 20 11 44 1 21 12 17 1 22 12 13 1 23 12 45 1 24 13 14 1 25 13 46 1 26 13 47 1 27 14 15 1 28 14 16 1 29 14 48 1 30 15 49 1 31 15 50 1 32 15 51 1 33 16 52 1 34 16 53 1 35 16 54 1 36 17 19 am 37 17 18 2 38 19 20 1 39 19 25 1 40 20 21 1 41 20 23 1 42 20 55 1 43 21 26 am 44 21 22 2 45 23 56 1 46 23 57 1 47 24 23 1 48 24 58 1 49 24 59 1 50 25 24 1 51 25 60 1 52 25 61 1 53 26 27 1 54 26 62 1 55 27 28 1 56 27 63 1 57 27 64 1 58 28 29 ar 59 28 36 ar 60 29 32 ar 61 29 30 1 62 30 31 1 63 30 65 1 64 30 66 1 65 31 67 1 66 31 68 1 67 32 69 1 68 33 32 ar 69 33 70 1 70 34 33 ar 71 35 34 1 72 36 34 ar 73 36 71 1