@MOLECULE methyl n-(6-{[(2r)-2-amino-3-sulfanylpropyl]amino}-1-naphthoyl)-l-methioninate 55 56 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.4235 -3.7066 0.3942 S.3 1 UNL1111111111 -0.0091 2 S 8.3089 -0.1091 -0.2501 S.3 1 UNL1111111111 -0.1888 3 O -6.4323 -0.6051 -0.4207 O.3 1 UNL1111111111 -0.4003 4 O -2.3934 1.3561 -2.2576 O.2 1 UNL1111111111 -0.5061 5 O -5.3904 0.3060 1.3573 O.2 1 UNL1111111111 -0.5009 6 N -3.1778 0.8625 -0.1967 N.am 1 UNL1111111111 -0.6118 7 N 3.7231 -0.0540 0.8532 N.pl3 1 UNL1111111111 -0.5313 8 N 6.3346 -2.5740 -0.1615 N.3 1 UNL1111111111 -0.6646 9 C -4.1701 -0.0662 -0.7282 C.3 1 UNL1111111111 0.0228 10 C 0.0101 1.6867 -0.1110 C.ar 1 UNL1111111111 -0.0608 11 C 0.9996 2.4355 0.5646 C.ar 1 UNL1111111111 0.0755 12 C -3.6135 -1.5055 -0.8393 C.3 1 UNL1111111111 -0.2908 13 C -1.2475 2.2969 -0.3709 C.ar 1 UNL1111111111 -0.0947 14 C 4.2664 -1.1570 0.0464 C.3 1 UNL1111111111 -0.1497 15 C 5.8123 -1.2552 0.2364 C.3 1 UNL1111111111 0.0385 16 C 2.5191 0.5415 0.4634 C.ar 1 UNL1111111111 0.2529 17 C 2.2544 1.8485 0.8480 C.ar 1 UNL1111111111 -0.3239 18 C -2.2971 1.4951 -1.0579 C.2 1 UNL1111111111 0.5880 19 C 0.3113 0.3557 -0.5128 C.ar 1 UNL1111111111 -0.0883 20 C 1.5267 -0.2092 -0.2393 C.ar 1 UNL1111111111 -0.2386 21 C -3.3418 -2.1253 0.5252 C.3 1 UNL1111111111 -0.3262 22 C 0.7169 3.7813 0.9413 C.ar 1 UNL1111111111 -0.1601 23 C -1.5012 3.5940 -0.0084 C.ar 1 UNL1111111111 -0.1364 24 C 6.5107 -0.1802 -0.6059 C.3 1 UNL1111111111 -0.3394 25 C -0.4979 4.3461 0.6539 C.ar 1 UNL1111111111 -0.1289 26 C -5.3655 -0.0712 0.2153 C.2 1 UNL1111111111 0.5640 27 C -0.6985 -3.1295 0.2901 C.3 1 UNL1111111111 -0.4937 28 C -7.6286 -0.7159 0.3461 C.3 1 UNL1111111111 -0.1678 29 H -4.4901 0.2813 -1.7568 H 1 UNL1111111111 0.2000 30 H -4.3323 -2.1246 -1.4166 H 1 UNL1111111111 0.1643 31 H -2.6933 -1.4687 -1.4619 H 1 UNL1111111111 0.1716 32 H 3.7854 -2.1010 0.3952 H 1 UNL1111111111 0.1508 33 H 4.0190 -1.0448 -1.0317 H 1 UNL1111111111 0.1426 34 H 6.0478 -1.1154 1.3285 H 1 UNL1111111111 0.1636 35 H 2.9988 2.4370 1.3733 H 1 UNL1111111111 0.1610 36 H -3.1212 0.9617 0.8082 H 1 UNL1111111111 0.3341 37 H 4.4218 0.5701 1.2410 H 1 UNL1111111111 0.2951 38 H -0.4457 -0.2090 -1.0623 H 1 UNL1111111111 0.1604 39 H 1.7420 -1.2296 -0.5424 H 1 UNL1111111111 0.1582 40 H -2.7907 -1.4270 1.1818 H 1 UNL1111111111 0.1650 41 H -4.2876 -2.3578 1.0543 H 1 UNL1111111111 0.1650 42 H 1.4888 4.3485 1.4589 H 1 UNL1111111111 0.1554 43 H -2.4620 4.0623 -0.2198 H 1 UNL1111111111 0.1628 44 H 6.0998 0.8244 -0.3964 H 1 UNL1111111111 0.1656 45 H 6.3597 -0.3591 -1.6863 H 1 UNL1111111111 0.1639 46 H -0.7147 5.3762 0.9326 H 1 UNL1111111111 0.1542 47 H 6.0589 -3.3076 0.4709 H 1 UNL1111111111 0.2627 48 H 6.0871 -2.8285 -1.1029 H 1 UNL1111111111 0.2577 49 H 8.5753 -1.4260 -0.2129 H 1 UNL1111111111 0.1894 50 H -0.4192 -2.5106 1.1505 H 1 UNL1111111111 0.1673 51 H -0.0443 -4.0088 0.2814 H 1 UNL1111111111 0.1659 52 H -0.5152 -2.5570 -0.6243 H 1 UNL1111111111 0.1605 53 H -7.9437 0.2713 0.7007 H 1 UNL1111111111 0.1434 54 H -7.4733 -1.3951 1.1911 H 1 UNL1111111111 0.1404 55 H -8.3429 -1.1296 -0.3757 H 1 UNL1111111111 0.1497 @BOND 1 1 21 1 2 1 27 1 3 2 24 1 4 2 49 1 5 3 26 1 6 3 28 1 7 4 18 2 8 5 26 2 9 6 9 1 10 6 18 am 11 6 36 1 12 7 14 1 13 7 16 1 14 7 37 1 15 8 15 1 16 8 47 1 17 8 48 1 18 9 12 1 19 9 26 1 20 9 29 1 21 10 11 ar 22 10 13 ar 23 10 19 ar 24 11 17 ar 25 11 22 ar 26 12 21 1 27 12 30 1 28 12 31 1 29 13 18 1 30 13 23 ar 31 14 15 1 32 14 32 1 33 14 33 1 34 15 24 1 35 15 34 1 36 16 17 ar 37 16 20 ar 38 17 35 1 39 19 20 ar 40 19 38 1 41 20 39 1 42 21 40 1 43 21 41 1 44 22 25 ar 45 22 42 1 46 23 25 ar 47 23 43 1 48 24 44 1 49 24 45 1 50 25 46 1 51 27 50 1 52 27 51 1 53 27 52 1 54 28 53 1 55 28 54 1 56 28 55 1