@MOLECULE (2r)-6-({(1r,2s)-2-[(6-aminohexanoyl)amino]-2,3-dihydro-1h-inden-1-yl}methyl)-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid 71 74 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.8094 5.8400 -0.7606 C.ar 1 UNL111111111 -0.1469 2 C 0.5828 5.2446 -1.0426 C.ar 1 UNL111111111 -0.1579 3 C 2.8089 5.1295 -0.0869 C.ar 1 UNL111111111 -0.1731 4 C 0.3297 3.9215 -0.6659 C.ar 1 UNL111111111 -0.1549 5 C -1.5119 1.0292 -1.5309 C.ar 1 UNL111111111 -0.1982 6 C -2.8752 0.7347 -1.5116 C.ar 1 UNL111111111 -0.1494 7 C -1.1681 -0.2470 0.4979 C.ar 1 UNL111111111 -0.1862 8 C 2.5554 3.8204 0.2845 C.ar 1 UNL111111111 -0.0133 9 C 1.3244 3.2130 -0.0140 C.ar 1 UNL111111111 -0.0305 10 C -0.6553 0.5381 -0.5449 C.ar 1 UNL111111111 0.0659 11 C -3.3748 -0.0619 -0.4888 C.ar 1 UNL111111111 0.0883 12 C -2.5276 -0.5442 0.5229 C.ar 1 UNL111111111 0.1591 13 C -0.2940 -0.7278 1.5885 C.2 1 UNL111111111 0.6671 14 C 3.5734 -0.7632 0.6866 C.2 1 UNL111111111 0.6094 15 C -8.7156 -1.4425 -0.8635 C.2 1 UNL111111111 0.6462 16 C 3.4613 2.8949 1.0262 C.3 1 UNL111111111 -0.3223 17 C -4.3955 -1.3010 1.6869 C.3 1 UNL111111111 -0.1119 18 C 1.2695 1.7968 0.4762 C.3 1 UNL111111111 -0.1472 19 C 2.7199 1.5232 1.0480 C.3 1 UNL111111111 0.0942 20 C -5.0780 -1.4424 0.3241 C.3 1 UNL111111111 0.0594 21 C 0.8149 0.8197 -0.6170 C.3 1 UNL111111111 -0.2942 22 C 4.2641 -1.7247 -0.2525 C.3 1 UNL111111111 -0.3680 23 C -7.2270 -1.5090 -0.9626 C.3 1 UNL111111111 -0.3397 24 C -6.5984 -1.3533 0.4226 C.3 1 UNL111111111 -0.2837 25 C 5.7804 -1.6416 -0.0504 C.3 1 UNL111111111 -0.2526 26 C 6.4905 -2.6985 -0.9048 C.3 1 UNL111111111 -0.2726 27 C 8.0067 -2.6155 -0.7080 C.3 1 UNL111111111 -0.2822 28 C 8.7153 -3.7076 -1.5294 C.3 1 UNL111111111 -0.1039 29 N 3.4772 0.5485 0.2643 N.am 1 UNL111111111 -0.6098 30 N 10.1713 -3.6270 -1.2744 N.3 1 UNL111111111 -0.6476 31 O 0.5714 -1.6620 1.1325 O.3 1 UNL111111111 -0.5658 32 O -9.2673 -1.4980 -2.1056 O.3 1 UNL111111111 -0.5693 33 O -0.2848 -0.3548 2.7317 O.2 1 UNL111111111 -0.4847 34 O 3.1396 -1.0993 1.7730 O.2 1 UNL111111111 -0.5685 35 O -9.4109 -1.3571 0.1134 O.2 1 UNL111111111 -0.5073 36 O -2.9780 -1.3499 1.5232 O.3 1 UNL111111111 -0.2794 37 O -4.7142 -0.3246 -0.5010 O.3 1 UNL111111111 -0.3277 38 H 1.9938 6.8695 -1.0602 H 1 UNL111111111 0.1480 39 H -0.1890 5.8128 -1.5576 H 1 UNL111111111 0.1492 40 H 3.7603 5.6012 0.1412 H 1 UNL111111111 0.1523 41 H -0.6343 3.4624 -0.8757 H 1 UNL111111111 0.1628 42 H -1.1135 1.6429 -2.3381 H 1 UNL111111111 0.1640 43 H -3.5432 1.1113 -2.2840 H 1 UNL111111111 0.1691 44 H 4.4609 2.8220 0.5630 H 1 UNL111111111 0.1599 45 H 3.6412 3.2519 2.0586 H 1 UNL111111111 0.1679 46 H 0.5605 1.7396 1.3439 H 1 UNL111111111 0.1793 47 H 1.3527 -0.1532 -0.5279 H 1 UNL111111111 0.1807 48 H 1.0993 1.2122 -1.6140 H 1 UNL111111111 0.1551 49 H 1.2996 -1.8840 1.7849 H 1 UNL111111111 0.3836 50 H 3.9050 -2.7540 -0.0287 H 1 UNL111111111 0.1819 51 H 3.9932 -1.5390 -1.3078 H 1 UNL111111111 0.1578 52 H 3.7909 0.8377 -0.6465 H 1 UNL111111111 0.3101 53 H -6.9217 -2.4641 -1.4440 H 1 UNL111111111 0.1832 54 H -6.8545 -0.7154 -1.6541 H 1 UNL111111111 0.1986 55 H -10.2544 -1.4546 -2.1051 H 1 UNL111111111 0.3570 56 H 2.6258 1.1443 2.1008 H 1 UNL111111111 0.1796 57 H -4.6553 -0.3527 2.1918 H 1 UNL111111111 0.1560 58 H -4.5881 -2.1525 2.3640 H 1 UNL111111111 0.1643 59 H -4.7367 -2.3625 -0.2024 H 1 UNL111111111 0.1468 60 H -6.9871 -2.1261 1.1176 H 1 UNL111111111 0.1679 61 H -6.9000 -0.3792 0.8665 H 1 UNL111111111 0.1736 62 H 6.1512 -0.6309 -0.3039 H 1 UNL111111111 0.1394 63 H 6.0272 -1.7939 1.0209 H 1 UNL111111111 0.1568 64 H 6.1295 -3.7093 -0.6319 H 1 UNL111111111 0.1431 65 H 6.2361 -2.5613 -1.9722 H 1 UNL111111111 0.1348 66 H 8.3823 -1.6169 -0.9946 H 1 UNL111111111 0.1372 67 H 8.2707 -2.7368 0.3625 H 1 UNL111111111 0.1611 68 H 8.3672 -4.7124 -1.2017 H 1 UNL111111111 0.1410 69 H 8.4584 -3.6080 -2.6048 H 1 UNL111111111 0.1044 70 H 10.6709 -4.3806 -1.7153 H 1 UNL111111111 0.2475 71 H 10.5595 -2.7524 -1.5836 H 1 UNL111111111 0.2455 @BOND 1 1 2 ar 2 1 3 ar 3 1 38 1 4 2 4 ar 5 2 39 1 6 3 8 ar 7 3 40 1 8 4 9 ar 9 4 41 1 10 5 6 ar 11 5 10 ar 12 5 42 1 13 6 11 ar 14 6 43 1 15 7 10 ar 16 7 12 ar 17 7 13 1 18 8 9 ar 19 8 16 1 20 9 18 1 21 10 21 1 22 11 12 ar 23 11 37 1 24 12 36 1 25 13 31 1 26 13 33 2 27 14 22 1 28 14 29 am 29 14 34 2 30 15 23 1 31 15 32 1 32 15 35 2 33 16 19 1 34 16 44 1 35 16 45 1 36 17 20 1 37 17 36 1 38 17 57 1 39 17 58 1 40 18 19 1 41 18 21 1 42 18 46 1 43 19 29 1 44 19 56 1 45 20 24 1 46 20 37 1 47 20 59 1 48 21 47 1 49 21 48 1 50 22 25 1 51 22 50 1 52 22 51 1 53 23 24 1 54 23 53 1 55 23 54 1 56 24 60 1 57 24 61 1 58 25 26 1 59 25 62 1 60 25 63 1 61 26 27 1 62 26 64 1 63 26 65 1 64 27 28 1 65 27 66 1 66 27 67 1 67 28 30 1 68 28 68 1 69 28 69 1 70 29 52 1 71 30 70 1 72 30 71 1 73 31 49 1 74 32 55 1