@MOLECULE n-(benzylsulfonyl)-d-leucyl-n-(4-carbamimidoylbenzyl)-l-prolinamide 71 73 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.8145 -0.9125 -0.8464 C.3 1 UNL1111111111 -0.5816 2 S -3.0288 -1.0701 -0.7376 S.O2 1 UNL1111111111 2.3400 3 C -5.5280 -1.8886 0.0269 C.ar 1 UNL1111111111 0.0067 4 C -6.3216 -2.8862 -0.5450 C.ar 1 UNL1111111111 -0.1599 5 C -7.0258 -3.7717 0.2674 C.ar 1 UNL1111111111 -0.1477 6 C -6.9418 -3.6663 1.6543 C.ar 1 UNL1111111111 -0.1524 7 C -6.1457 -2.6754 2.2270 C.ar 1 UNL1111111111 -0.1452 8 C -5.4396 -1.7887 1.4187 C.ar 1 UNL1111111111 -0.1537 9 O -2.6344 -0.9322 0.6454 O.2 1 UNL1111111111 -0.9213 10 O -2.5841 -2.1524 -1.5737 O.2 1 UNL1111111111 -0.8786 11 N -2.5358 0.4047 -1.5391 N.3 1 UNL1111111111 -0.8498 12 C -2.0585 1.5123 -0.7061 C.3 1 UNL1111111111 0.0249 13 C -2.5118 2.8537 -1.3247 C.3 1 UNL1111111111 -0.3063 14 C -3.9932 3.1491 -1.0292 C.3 1 UNL1111111111 -0.0436 15 C -4.2087 3.4971 0.4484 C.3 1 UNL1111111111 -0.4612 16 C -4.4607 4.3130 -1.9120 C.3 1 UNL1111111111 -0.4633 17 C -0.5184 1.5210 -0.6861 C.2 1 UNL1111111111 0.5356 18 O 0.1193 1.0345 -1.6105 O.2 1 UNL1111111111 -0.5977 19 N 0.1295 2.1051 0.3617 N.am 1 UNL1111111111 -0.4904 20 C 1.5906 2.2651 0.3929 C.3 1 UNL1111111111 0.0090 21 C 2.2565 0.9548 0.8738 C.2 1 UNL1111111111 0.5523 22 O 2.8128 0.8658 1.9500 O.2 1 UNL1111111111 -0.5479 23 C 1.8419 3.3930 1.4103 C.3 1 UNL1111111111 -0.2691 24 C 0.6262 3.3595 2.3542 C.3 1 UNL1111111111 -0.2786 25 C -0.5085 2.6808 1.5590 C.3 1 UNL1111111111 -0.0697 26 N 2.2153 -0.0772 -0.0248 N.am 1 UNL1111111111 -0.5812 27 C 2.8350 -1.3636 0.3068 C.3 1 UNL1111111111 -0.0702 28 C 4.3306 -1.2864 0.1102 C.ar 1 UNL1111111111 -0.0030 29 C 4.8942 -1.6061 -1.1252 C.ar 1 UNL1111111111 -0.1625 30 C 6.2752 -1.5474 -1.2940 C.ar 1 UNL1111111111 -0.1400 31 C 7.0879 -1.1714 -0.2235 C.ar 1 UNL1111111111 -0.0596 32 C 8.5640 -1.1296 -0.3865 C.2 1 UNL1111111111 0.4203 33 N 9.2244 -0.0570 -0.1253 N.2 1 UNL1111111111 -0.6220 34 N 9.1307 -2.3216 -0.8763 N.pl3 1 UNL1111111111 -0.7141 35 C 6.5246 -0.8219 1.0048 C.ar 1 UNL1111111111 -0.1138 36 C 5.1438 -0.8811 1.1697 C.ar 1 UNL1111111111 -0.1449 37 H -5.1257 -1.0188 -1.9083 H 1 UNL1111111111 0.1891 38 H -5.1142 0.1241 -0.5730 H 1 UNL1111111111 0.1899 39 H -6.3902 -2.9792 -1.6277 H 1 UNL1111111111 0.1530 40 H -7.6413 -4.5491 -0.1819 H 1 UNL1111111111 0.1486 41 H -7.4923 -4.3574 2.2888 H 1 UNL1111111111 0.1498 42 H -6.0705 -2.5982 3.3100 H 1 UNL1111111111 0.1492 43 H -4.7996 -1.0315 1.8788 H 1 UNL1111111111 0.1750 44 H -1.9435 0.2769 -2.3697 H 1 UNL1111111111 0.3254 45 H -2.4572 1.4204 0.3416 H 1 UNL1111111111 0.1762 46 H -1.8799 3.6817 -0.9556 H 1 UNL1111111111 0.1431 47 H -2.3494 2.8243 -2.4219 H 1 UNL1111111111 0.1627 48 H -4.5973 2.2447 -1.2866 H 1 UNL1111111111 0.1397 49 H -5.2601 3.7326 0.6487 H 1 UNL1111111111 0.1438 50 H -3.9349 2.6684 1.1104 H 1 UNL1111111111 0.1451 51 H -3.6220 4.3729 0.7447 H 1 UNL1111111111 0.1408 52 H -4.3945 4.0593 -2.9761 H 1 UNL1111111111 0.1461 53 H -5.5028 4.5767 -1.7047 H 1 UNL1111111111 0.1419 54 H -3.8584 5.2130 -1.7488 H 1 UNL1111111111 0.1459 55 H 1.9744 2.5230 -0.6281 H 1 UNL1111111111 0.1734 56 H 2.7871 3.2342 1.9665 H 1 UNL1111111111 0.1811 57 H 1.9309 4.3671 0.9011 H 1 UNL1111111111 0.1453 58 H 0.8677 2.7743 3.2624 H 1 UNL1111111111 0.1630 59 H 0.3430 4.3671 2.6912 H 1 UNL1111111111 0.1442 60 H -1.2917 3.4102 1.2661 H 1 UNL1111111111 0.1335 61 H -0.9934 1.8737 2.1529 H 1 UNL1111111111 0.1523 62 H 1.6521 -0.0154 -0.8683 H 1 UNL1111111111 0.3457 63 H 2.5972 -1.6348 1.3664 H 1 UNL1111111111 0.1621 64 H 2.3836 -2.1577 -0.3314 H 1 UNL1111111111 0.1490 65 H 4.2577 -1.8924 -1.9602 H 1 UNL1111111111 0.1562 66 H 6.7197 -1.7825 -2.2603 H 1 UNL1111111111 0.1583 67 H 10.2190 -0.0062 -0.2345 H 1 UNL1111111111 0.2702 68 H 8.5921 -3.1614 -0.8767 H 1 UNL1111111111 0.2997 69 H 10.1186 -2.4491 -0.8462 H 1 UNL1111111111 0.2922 70 H 7.1651 -0.4891 1.8226 H 1 UNL1111111111 0.1670 71 H 4.6915 -0.5884 2.1215 H 1 UNL1111111111 0.1818 @BOND 1 1 2 1 2 1 37 1 3 1 38 1 4 2 11 1 5 2 9 2 6 2 10 2 7 3 4 ar 8 3 1 1 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 3 ar 18 8 43 1 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 23 1 41 20 21 1 42 20 55 1 43 21 26 am 44 21 22 2 45 23 24 1 46 23 56 1 47 23 57 1 48 24 25 1 49 24 58 1 50 24 59 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 36 ar 59 28 29 ar 60 29 65 1 61 30 29 ar 62 30 66 1 63 31 30 ar 64 31 32 1 65 32 33 2 66 32 34 1 67 33 67 1 68 34 68 1 69 34 69 1 70 35 31 ar 71 35 70 1 72 36 35 ar 73 36 71 1