@MOLECULE methyl 2-[(1-{[2-formamido-4-(methylsulfanyl)butanoyl]amino}-4-methyl-1-oxo-2-pentanyl)amino]-2-indanecarboxylate 65 66 0 0 0 SMALL GASTEIGER @ATOM 1 S -5.8234 1.1703 -1.8133 S.3 1 UNL111111111 -0.0110 2 O 2.5884 0.0145 2.4540 O.3 1 UNL111111111 -0.3629 3 O 0.9980 1.0265 1.2207 O.2 1 UNL111111111 -0.5346 4 O -0.4820 -2.3606 1.9693 O.2 1 UNL111111111 -0.4027 5 O -2.1016 -0.2616 2.5463 O.2 1 UNL111111111 -0.4438 6 O -1.5831 3.8992 0.8525 O.2 1 UNL111111111 -0.5180 7 N 2.1007 -1.8814 0.3227 N.3 1 UNL111111111 -0.5865 8 N -0.9414 -0.5879 0.5814 N.am 1 UNL111111111 -0.6575 9 N -2.8531 2.2735 1.7857 N.am 1 UNL111111111 -0.6028 10 C 2.5542 -0.5018 0.1273 C.3 1 UNL111111111 0.1662 11 C 4.1154 -0.4335 0.1831 C.3 1 UNL111111111 -0.3055 12 C 2.1544 0.2163 -1.2070 C.3 1 UNL111111111 -0.3296 13 C 3.3654 1.0195 -1.5656 C.ar 1 UNL111111111 -0.0095 14 C 4.4778 0.6341 -0.7969 C.ar 1 UNL111111111 -0.0215 15 C 0.7482 -2.2434 -0.1268 C.3 1 UNL111111111 -0.0163 16 C 1.9493 0.2908 1.3031 C.2 1 UNL111111111 0.5793 17 C 0.6157 -3.7763 -0.2248 C.3 1 UNL111111111 -0.3096 18 C -0.8110 -4.1921 -0.6347 C.3 1 UNL111111111 -0.0574 19 C 5.7080 1.2383 -0.9795 C.ar 1 UNL111111111 -0.1583 20 C 3.4742 2.0379 -2.4982 C.ar 1 UNL111111111 -0.1560 21 C -0.2487 -1.7658 0.9560 C.2 1 UNL111111111 0.5678 22 C 4.7146 2.6633 -2.6712 C.ar 1 UNL111111111 -0.1446 23 C 5.8214 2.2580 -1.9315 C.ar 1 UNL111111111 -0.1450 24 C -1.1351 -3.7370 -2.0633 C.3 1 UNL111111111 -0.4577 25 C -0.9485 -5.7143 -0.5236 C.3 1 UNL111111111 -0.4563 26 C 1.9497 0.4772 3.6459 C.3 1 UNL111111111 -0.1788 27 C -1.8379 0.0909 1.4285 C.2 1 UNL111111111 0.5642 28 C -2.5258 1.3015 0.7514 C.3 1 UNL111111111 -0.0021 29 C -3.7950 0.7586 0.0548 C.3 1 UNL111111111 -0.2908 30 C -4.3267 1.7750 -0.9457 C.3 1 UNL111111111 -0.3171 31 C -2.2797 3.5352 1.7749 C.2 1 UNL111111111 0.4791 32 C -5.1278 0.0506 -3.0700 C.3 1 UNL111111111 -0.4992 33 H 4.4871 -0.2194 1.2038 H 1 UNL111111111 0.1847 34 H 4.5799 -1.4001 -0.0898 H 1 UNL111111111 0.1621 35 H 1.9202 -0.5160 -2.0000 H 1 UNL111111111 0.1599 36 H 1.2593 0.8579 -1.0890 H 1 UNL111111111 0.1791 37 H 2.7961 -2.5670 0.0415 H 1 UNL111111111 0.2899 38 H 0.4996 -1.7998 -1.1239 H 1 UNL111111111 0.1389 39 H 0.8616 -4.2321 0.7595 H 1 UNL111111111 0.1752 40 H 1.3511 -4.1813 -0.9422 H 1 UNL111111111 0.1421 41 H -1.5421 -3.7202 0.0739 H 1 UNL111111111 0.1506 42 H 2.6123 2.3653 -3.0714 H 1 UNL111111111 0.1562 43 H 6.5691 0.9368 -0.3916 H 1 UNL111111111 0.1550 44 H 4.8107 3.4798 -3.3855 H 1 UNL111111111 0.1502 45 H 6.7830 2.7443 -2.0821 H 1 UNL111111111 0.1491 46 H -0.3062 -3.9284 -2.7505 H 1 UNL111111111 0.1411 47 H -1.3723 -2.6698 -2.1043 H 1 UNL111111111 0.1394 48 H -2.0055 -4.2761 -2.4563 H 1 UNL111111111 0.1473 49 H -0.2307 -6.2338 -1.1651 H 1 UNL111111111 0.1421 50 H -0.7931 -6.0566 0.5065 H 1 UNL111111111 0.1514 51 H -1.9520 -6.0450 -0.8187 H 1 UNL111111111 0.1457 52 H -0.5665 -0.0545 -0.2056 H 1 UNL111111111 0.3214 53 H 1.8559 1.5658 3.6349 H 1 UNL111111111 0.1430 54 H 0.9620 0.0079 3.7415 H 1 UNL111111111 0.1540 55 H 2.6259 0.1270 4.4336 H 1 UNL111111111 0.1477 56 H -1.8403 1.7885 0.0012 H 1 UNL111111111 0.1920 57 H -4.5633 0.5179 0.8201 H 1 UNL111111111 0.1665 58 H -3.5585 -0.2026 -0.4474 H 1 UNL111111111 0.1560 59 H -3.3551 1.9165 2.5877 H 1 UNL111111111 0.3234 60 H -3.5511 2.0562 -1.6800 H 1 UNL111111111 0.1577 61 H -4.6202 2.7136 -0.4315 H 1 UNL111111111 0.1742 62 H -2.5254 4.1700 2.6367 H 1 UNL111111111 0.1325 63 H -5.9636 -0.4036 -3.6173 H 1 UNL111111111 0.1695 64 H -4.5391 -0.7567 -2.6249 H 1 UNL111111111 0.1613 65 H -4.5022 0.5831 -3.7919 H 1 UNL111111111 0.1592 @BOND 1 1 30 1 2 1 32 1 3 2 16 1 4 2 26 1 5 3 16 2 6 4 21 2 7 5 27 2 8 6 31 2 9 7 10 1 10 7 15 1 11 7 37 1 12 8 21 am 13 8 27 am 14 8 52 1 15 9 28 1 16 9 31 am 17 9 59 1 18 10 11 1 19 10 12 1 20 10 16 1 21 11 14 1 22 11 33 1 23 11 34 1 24 12 13 1 25 12 35 1 26 12 36 1 27 13 14 ar 28 13 20 ar 29 14 19 ar 30 15 17 1 31 15 21 1 32 15 38 1 33 17 18 1 34 17 39 1 35 17 40 1 36 18 24 1 37 18 25 1 38 18 41 1 39 19 23 ar 40 19 43 1 41 20 22 ar 42 20 42 1 43 22 23 ar 44 22 44 1 45 23 45 1 46 24 46 1 47 24 47 1 48 24 48 1 49 25 49 1 50 25 50 1 51 25 51 1 52 26 53 1 53 26 54 1 54 26 55 1 55 27 28 1 56 28 29 1 57 28 56 1 58 29 30 1 59 29 57 1 60 29 58 1 61 30 60 1 62 30 61 1 63 31 62 1 64 32 63 1 65 32 64 1 66 32 65 1