@MOLECULE n-(butylsulfonyl)-d-seryl-n-(4-carbamimidoylbenzyl)-l-alaninamide 58 58 0 0 0 SMALL GASTEIGER @ATOM 1 N -9.4720 -0.6666 1.7203 N.pl3 1 UNL1111111111 -0.7095 2 N -9.8131 0.9510 -0.0040 N.2 1 UNL1111111111 -0.6169 3 C -9.0792 0.0821 0.5968 C.2 1 UNL1111111111 0.4154 4 C -7.7211 -0.2319 0.0816 C.ar 1 UNL1111111111 -0.0554 5 C -6.8355 0.8133 -0.1887 C.ar 1 UNL1111111111 -0.1010 6 C -5.5597 0.5295 -0.6661 C.ar 1 UNL1111111111 -0.1617 7 C -5.1717 -0.7949 -0.8771 C.ar 1 UNL1111111111 -0.0223 8 C -6.0659 -1.8358 -0.6257 C.ar 1 UNL1111111111 -0.1696 9 C -7.3443 -1.5552 -0.1500 C.ar 1 UNL1111111111 -0.1288 10 C -3.7876 -1.0993 -1.3855 C.3 1 UNL1111111111 -0.0811 11 N -2.7848 -0.6204 -0.4246 N.am 1 UNL1111111111 -0.5872 12 C -1.6838 0.0718 -0.8629 C.2 1 UNL1111111111 0.5543 13 O -1.4622 0.2514 -2.0439 O.2 1 UNL1111111111 -0.5399 14 C -0.7501 0.6135 0.2343 C.3 1 UNL1111111111 0.0284 15 N 0.6097 0.5729 -0.3108 N.am 1 UNL1111111111 -0.5829 16 C 1.6749 0.5360 0.5545 C.2 1 UNL1111111111 0.5665 17 O 1.5132 0.4279 1.7557 O.2 1 UNL1111111111 -0.5513 18 C 3.0788 0.5626 -0.0743 C.3 1 UNL1111111111 -0.0611 19 C 3.3325 1.9551 -0.7038 C.3 1 UNL1111111111 -0.0051 20 O 2.9379 2.9859 0.1690 O.3 1 UNL1111111111 -0.5422 21 N 4.0859 0.3436 0.9741 N.3 1 UNL1111111111 -0.8618 22 S 5.2641 -0.9313 0.7286 S.O2 1 UNL1111111111 2.3236 23 O 5.3240 -1.6633 1.9670 O.2 1 UNL1111111111 -0.8919 24 O 4.9204 -1.5658 -0.5235 O.2 1 UNL1111111111 -0.9189 25 C 6.7806 -0.0064 0.5310 C.3 1 UNL1111111111 -0.5742 26 C 7.7523 -0.6951 -0.4287 C.3 1 UNL1111111111 -0.2491 27 C 9.0116 0.1645 -0.6203 C.3 1 UNL1111111111 -0.2489 28 C 9.9971 -0.5255 -1.5625 C.3 1 UNL1111111111 -0.4459 29 C -1.1882 2.0436 0.5643 C.3 1 UNL1111111111 -0.4724 30 H -10.2929 -0.4084 2.2246 H 1 UNL1111111111 0.2961 31 H -8.7903 -1.1721 2.2445 H 1 UNL1111111111 0.2999 32 H -10.7369 1.1770 0.3123 H 1 UNL1111111111 0.2743 33 H -7.1564 1.8469 -0.0421 H 1 UNL1111111111 0.1732 34 H -4.8658 1.3414 -0.8836 H 1 UNL1111111111 0.1649 35 H -5.7725 -2.8690 -0.8039 H 1 UNL1111111111 0.1578 36 H -8.0513 -2.3657 0.0290 H 1 UNL1111111111 0.1634 37 H -3.6227 -0.6158 -2.3847 H 1 UNL1111111111 0.1848 38 H -3.6364 -2.1927 -1.5516 H 1 UNL1111111111 0.1502 39 H -2.9945 -0.7519 0.5504 H 1 UNL1111111111 0.3171 40 H -0.7830 -0.0227 1.1630 H 1 UNL1111111111 0.1790 41 H 0.6989 0.7569 -1.3025 H 1 UNL1111111111 0.3340 42 H 3.1300 -0.2215 -0.8863 H 1 UNL1111111111 0.1956 43 H 4.3989 2.0875 -0.9623 H 1 UNL1111111111 0.1301 44 H 2.7108 2.1241 -1.6018 H 1 UNL1111111111 0.1386 45 H 3.3536 2.8559 1.0500 H 1 UNL1111111111 0.3290 46 H 3.6570 0.3509 1.9129 H 1 UNL1111111111 0.3295 47 H 7.2635 0.1323 1.5210 H 1 UNL1111111111 0.1835 48 H 6.5611 1.0198 0.1721 H 1 UNL1111111111 0.1807 49 H 7.2756 -0.8799 -1.4156 H 1 UNL1111111111 0.1603 50 H 8.0461 -1.6960 -0.0511 H 1 UNL1111111111 0.1485 51 H 9.4958 0.3547 0.3563 H 1 UNL1111111111 0.1345 52 H 8.7387 1.1579 -1.0230 H 1 UNL1111111111 0.1319 53 H 10.8924 0.0862 -1.7201 H 1 UNL1111111111 0.1414 54 H 10.3283 -1.4913 -1.1631 H 1 UNL1111111111 0.1470 55 H 9.5518 -0.7125 -2.5464 H 1 UNL1111111111 0.1459 56 H -2.2002 2.0751 0.9808 H 1 UNL1111111111 0.1565 57 H -0.5098 2.4908 1.3073 H 1 UNL1111111111 0.1763 58 H -1.1638 2.6931 -0.3209 H 1 UNL1111111111 0.1671 @BOND 1 1 3 1 2 1 30 1 3 1 31 1 4 2 3 2 5 2 32 1 6 3 4 1 7 4 5 ar 8 4 9 ar 9 5 6 ar 10 5 33 1 11 6 7 ar 12 6 34 1 13 7 8 ar 14 7 10 1 15 8 9 ar 16 8 35 1 17 9 36 1 18 10 11 1 19 10 37 1 20 10 38 1 21 11 12 am 22 11 39 1 23 12 13 2 24 12 14 1 25 14 15 1 26 14 29 1 27 14 40 1 28 15 16 am 29 15 41 1 30 16 17 2 31 16 18 1 32 18 19 1 33 18 21 1 34 18 42 1 35 19 20 1 36 19 43 1 37 19 44 1 38 20 45 1 39 21 22 1 40 21 46 1 41 22 23 2 42 22 24 2 43 22 25 1 44 25 26 1 45 25 47 1 46 25 48 1 47 26 27 1 48 26 49 1 49 26 50 1 50 27 28 1 51 27 51 1 52 27 52 1 53 28 53 1 54 28 54 1 55 28 55 1 56 29 56 1 57 29 57 1 58 29 58 1