@MOLECULE n-[2-(benzoylamino)ethyl]-n-(4-biphenylylsulfonyl)-d-valine 62 64 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.2401 -0.7744 -2.5648 O.2 1 UNL111111111 -0.9329 2 S -0.5205 -1.5046 -1.5700 S.O2 1 UNL111111111 2.3791 3 O -0.8975 -2.8767 -1.7998 O.2 1 UNL111111111 -0.8946 4 N 0.4614 -1.4108 -0.1205 N.3 1 UNL111111111 -0.8119 5 C 0.6990 -2.5090 0.8080 C.3 1 UNL111111111 0.0418 6 C 0.8295 -3.9477 0.2365 C.3 1 UNL111111111 -0.0981 7 C 2.0713 -4.0612 -0.6482 C.3 1 UNL111111111 -0.4474 8 C 0.9371 -4.9339 1.4058 C.3 1 UNL111111111 -0.4632 9 C -0.4892 -2.4848 1.7768 C.2 1 UNL111111111 0.6280 10 O -1.6696 -2.5120 1.5566 O.2 1 UNL111111111 -0.5288 11 O -0.0275 -2.4102 3.0521 O.3 1 UNL111111111 -0.5714 12 C 1.4617 -0.3393 -0.0716 C.3 1 UNL111111111 -0.0693 13 C 2.7562 -0.6761 -0.8651 C.3 1 UNL111111111 -0.0961 14 N 3.6737 0.4628 -0.8225 N.am 1 UNL111111111 -0.5995 15 C 4.4126 0.7083 0.3167 C.2 1 UNL111111111 0.5694 16 O 4.3406 -0.0279 1.2801 O.2 1 UNL111111111 -0.5197 17 C 5.2719 1.9230 0.2688 C.ar 1 UNL111111111 -0.1314 18 C 6.2837 2.0391 -0.6824 C.ar 1 UNL111111111 -0.1227 19 C 7.0805 3.1820 -0.6984 C.ar 1 UNL111111111 -0.1554 20 C 6.8605 4.1983 0.2307 C.ar 1 UNL111111111 -0.1230 21 C 5.0581 2.9270 1.2118 C.ar 1 UNL111111111 -0.1025 22 C 5.8525 4.0714 1.1856 C.ar 1 UNL111111111 -0.1569 23 C -1.9218 -0.5571 -1.1330 C.ar 1 UNL111111111 -0.3935 24 C -3.0136 -1.1625 -0.5135 C.ar 1 UNL111111111 -0.0190 25 C -4.1055 -0.3878 -0.1245 C.ar 1 UNL111111111 -0.1936 26 C -4.1048 0.9872 -0.3635 C.ar 1 UNL111111111 0.0450 27 C -3.0187 1.5871 -1.0097 C.ar 1 UNL111111111 -0.2001 28 C -1.9286 0.8140 -1.3932 C.ar 1 UNL111111111 -0.0590 29 C -5.2397 1.8127 0.0677 C.ar 1 UNL111111111 -0.0420 30 C -5.5589 1.8998 1.4246 C.ar 1 UNL111111111 -0.1513 31 C -6.6253 2.6953 1.8361 C.ar 1 UNL111111111 -0.1364 32 C -7.3763 3.3984 0.8955 C.ar 1 UNL111111111 -0.1468 33 C -7.0603 3.3076 -0.4592 C.ar 1 UNL111111111 -0.1372 34 C -5.9919 2.5170 -0.8751 C.ar 1 UNL111111111 -0.1532 35 H 1.6418 -2.2982 1.4015 H 1 UNL111111111 0.1851 36 H -0.0788 -4.2121 -0.3683 H 1 UNL111111111 0.1920 37 H 2.9902 -3.8312 -0.0983 H 1 UNL111111111 0.1423 38 H 2.1732 -5.0792 -1.0452 H 1 UNL111111111 0.1489 39 H 2.0142 -3.3969 -1.5183 H 1 UNL111111111 0.1526 40 H 0.0078 -4.9863 1.9845 H 1 UNL111111111 0.1464 41 H 1.1408 -5.9481 1.0432 H 1 UNL111111111 0.1501 42 H 1.7436 -4.6667 2.0982 H 1 UNL111111111 0.1525 43 H -0.7353 -2.3707 3.7372 H 1 UNL111111111 0.3509 44 H 1.0162 0.6029 -0.4658 H 1 UNL111111111 0.1459 45 H 1.7304 -0.1274 0.9923 H 1 UNL111111111 0.1595 46 H 3.2486 -1.5723 -0.4227 H 1 UNL111111111 0.1561 47 H 2.5167 -0.9091 -1.9291 H 1 UNL111111111 0.1711 48 H 3.6649 1.0986 -1.6001 H 1 UNL111111111 0.3142 49 H 6.4575 1.2391 -1.4012 H 1 UNL111111111 0.1586 50 H 7.8755 3.2802 -1.4354 H 1 UNL111111111 0.1547 51 H 7.4817 5.0926 0.2132 H 1 UNL111111111 0.1502 52 H 4.2802 2.8103 1.9674 H 1 UNL111111111 0.1643 53 H 5.6887 4.8639 1.9138 H 1 UNL111111111 0.1550 54 H -3.0283 -2.2437 -0.3157 H 1 UNL111111111 0.1874 55 H -4.9563 -0.8548 0.3687 H 1 UNL111111111 0.1628 56 H -3.0279 2.6576 -1.2026 H 1 UNL111111111 0.1582 57 H -1.0881 1.2952 -1.9054 H 1 UNL111111111 0.1677 58 H -4.9692 1.3491 2.1565 H 1 UNL111111111 0.1580 59 H -6.8715 2.7671 2.8939 H 1 UNL111111111 0.1519 60 H -8.2100 4.0183 1.2189 H 1 UNL111111111 0.1499 61 H -7.6478 3.8553 -1.1940 H 1 UNL111111111 0.1516 62 H -5.7434 2.4429 -1.9323 H 1 UNL111111111 0.1559 @BOND 1 2 3 2 2 2 1 2 3 2 23 1 4 4 5 1 5 4 2 1 6 5 9 1 7 5 35 1 8 6 7 1 9 6 5 1 10 6 36 1 11 7 37 1 12 7 38 1 13 7 39 1 14 8 6 1 15 8 40 1 16 8 41 1 17 8 42 1 18 9 11 1 19 10 9 2 20 11 43 1 21 12 4 1 22 12 44 1 23 12 45 1 24 13 12 1 25 13 46 1 26 13 47 1 27 14 13 1 28 14 48 1 29 15 14 am 30 16 15 2 31 17 15 1 32 18 17 ar 33 18 49 1 34 19 18 ar 35 19 50 1 36 20 22 ar 37 20 19 ar 38 20 51 1 39 21 17 ar 40 21 52 1 41 22 21 ar 42 22 53 1 43 23 28 ar 44 23 24 ar 45 24 25 ar 46 24 54 1 47 25 26 ar 48 25 55 1 49 26 29 1 50 27 26 ar 51 27 56 1 52 28 27 ar 53 28 57 1 54 29 34 ar 55 30 29 ar 56 30 31 ar 57 30 58 1 58 31 32 ar 59 31 59 1 60 32 33 ar 61 32 60 1 62 33 61 1 63 34 33 ar 64 34 62 1