@MOLECULE n-[(3s)-7-amino-1-chloro-2-oxo-3-heptanyl]-n~2~-{[5-(dimethylamino)-1-naphthyl]sulfonyl}-l-alaninamide 60 61 0 0 0 SMALL GASTEIGER @ATOM 1 CL -4.6066 -0.0693 1.7811 Cl 1 UNL111111 -0.0814 2 S -0.4233 2.3790 0.7365 S.O2 1 UNL111111 2.3670 3 O -1.6347 1.8816 1.3711 O.2 1 UNL111111 -0.9427 4 O 0.0600 3.7174 0.9521 O.2 1 UNL111111 -0.8898 5 O -2.5970 0.2218 -2.8289 O.2 1 UNL111111 -0.5519 6 O -3.7616 -3.1349 0.7570 O.2 1 UNL111111 -0.4165 7 N -2.6174 -0.0910 -0.5835 N.am 1 UNL111111 -0.6064 8 N -0.7401 2.2163 -0.9684 N.3 1 UNL111111 -0.8879 9 N 5.3048 -0.7317 0.2171 N.pl3 1 UNL111111 -0.3849 10 N 2.5480 -4.2449 -0.4650 N.3 1 UNL111111 -0.6626 11 C -2.7372 -1.5428 -0.6951 C.3 1 UNL111111 -0.0118 12 C -1.3939 -2.2332 -0.3814 C.3 1 UNL111111 -0.2938 13 C -0.4766 -2.1976 -1.6093 C.3 1 UNL111111 -0.2720 14 C -2.1315 2.1694 -1.4377 C.3 1 UNL111111 0.0536 15 C 0.9776 -2.5248 -1.2611 C.3 1 UNL111111 -0.2814 16 C -2.4555 0.6774 -1.7150 C.2 1 UNL111111 0.5667 17 C 0.8435 1.1989 1.0152 C.ar 1 UNL111111 -0.4042 18 C 2.1475 1.3291 0.4533 C.ar 1 UNL111111 0.0767 19 C -3.8359 -2.0483 0.2482 C.2 1 UNL111111 0.4210 20 C 3.0565 0.2565 0.6352 C.ar 1 UNL111111 -0.0777 21 C 1.1093 -3.9011 -0.5874 C.3 1 UNL111111 -0.0994 22 C -2.3158 2.9633 -2.7293 C.3 1 UNL111111 -0.4709 23 C 4.3495 0.3393 0.0372 C.ar 1 UNL111111 0.1358 24 C 0.5111 0.1047 1.7815 C.ar 1 UNL111111 -0.0287 25 C 2.5892 2.4782 -0.2651 C.ar 1 UNL111111 -0.1984 26 C 2.6829 -0.8693 1.4206 C.ar 1 UNL111111 -0.0657 27 C -5.0410 -1.1714 0.4720 C.3 1 UNL111111 -0.3163 28 C 1.4403 -0.9381 1.9954 C.ar 1 UNL111111 -0.1977 29 C 4.7269 1.4340 -0.6999 C.ar 1 UNL111111 -0.2030 30 C 3.8377 2.5220 -0.8335 C.ar 1 UNL111111 -0.0989 31 C 5.0557 -1.8885 -0.6719 C.3 1 UNL111111 -0.2869 32 C 6.2651 -0.6869 1.0865 C.3 1 UNL111111 0.0578 33 H -3.0564 -1.8112 -1.7433 H 1 UNL111111 0.1914 34 H -1.5756 -3.2819 -0.0716 H 1 UNL111111 0.1610 35 H -0.9024 -1.7476 0.4830 H 1 UNL111111 0.1525 36 H -0.8512 -2.8946 -2.3824 H 1 UNL111111 0.1379 37 H -0.5164 -1.1915 -2.0811 H 1 UNL111111 0.1615 38 H -2.8517 2.5495 -0.6583 H 1 UNL111111 0.1683 39 H 1.5949 -2.4892 -2.1788 H 1 UNL111111 0.1388 40 H 1.3990 -1.7436 -0.5983 H 1 UNL111111 0.1507 41 H -2.4059 0.2985 0.3381 H 1 UNL111111 0.3536 42 H -0.1111 2.6816 -1.6147 H 1 UNL111111 0.3131 43 H 0.6746 -3.8656 0.4361 H 1 UNL111111 0.1381 44 H 0.5364 -4.6627 -1.1578 H 1 UNL111111 0.1151 45 H -2.0901 4.0260 -2.5919 H 1 UNL111111 0.1534 46 H -3.3486 2.8821 -3.0947 H 1 UNL111111 0.1652 47 H -1.6819 2.5720 -3.5391 H 1 UNL111111 0.1707 48 H -0.4798 0.0065 2.2507 H 1 UNL111111 0.1818 49 H 1.9485 3.3613 -0.3340 H 1 UNL111111 0.1845 50 H 3.3983 -1.6811 1.5678 H 1 UNL111111 0.1691 51 H -5.3113 -0.5662 -0.4097 H 1 UNL111111 0.1822 52 H -5.9233 -1.7513 0.7965 H 1 UNL111111 0.1819 53 H 1.1612 -1.7915 2.6100 H 1 UNL111111 0.1661 54 H 5.7104 1.4871 -1.1602 H 1 UNL111111 0.1706 55 H 4.1673 3.4072 -1.3864 H 1 UNL111111 0.1606 56 H 2.9569 -4.4368 -1.3659 H 1 UNL111111 0.2455 57 H 2.6830 -5.0500 0.1283 H 1 UNL111111 0.2492 58 H 4.2532 -2.5364 -0.2596 H 1 UNL111111 0.1795 59 H 4.7439 -1.5570 -1.6735 H 1 UNL111111 0.1479 60 H 5.9763 -2.4845 -0.7778 H 1 UNL111111 0.1621 @BOND 1 36 13 1 2 56 10 1 3 44 21 1 4 39 15 1 5 10 57 1 6 10 21 1 7 59 31 1 8 13 37 1 9 13 15 1 10 13 12 1 11 5 16 2 12 21 15 1 13 21 43 1 14 15 40 1 15 33 11 1 16 60 31 1 17 47 22 1 18 31 58 1 19 31 9 1 20 34 12 1 21 46 22 1 22 12 11 1 23 12 35 1 24 11 19 1 25 11 7 1 26 16 7 am 27 16 14 1 28 22 45 1 29 22 14 1 30 54 29 1 31 6 19 2 32 19 27 1 33 9 23 1 34 9 32 1 35 7 41 1 36 51 27 1 37 42 8 1 38 14 8 1 39 14 38 1 40 29 23 ar 41 29 30 ar 42 23 20 ar 43 27 52 1 44 27 1 1 45 55 30 1 46 8 2 1 47 30 25 ar 48 50 26 1 49 20 26 ar 50 20 18 ar 51 26 28 ar 52 25 18 ar 53 25 49 1 54 18 17 ar 55 28 53 1 56 28 24 ar 57 17 24 ar 58 17 2 1 59 24 48 1 60 2 3 2 61 2 4 2