@MOLECULE n-(1-carboxy-3-phenylpropyl)alanyl-n-(2,3-dihydro-1h-inden-2-yl)glycine 59 61 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.9703 1.2291 -0.8434 O.2 1 UNL1111111111 -0.5153 2 O -1.8237 -2.6175 -1.5124 O.3 1 UNL1111111111 -0.5567 3 O -1.8138 -4.2413 0.0121 O.2 1 UNL1111111111 -0.5039 4 O 2.5264 -3.0536 0.0886 O.3 1 UNL1111111111 -0.5777 5 OXT 2.5294 -1.8325 1.9549 O.2 1 UNL1111111111 -0.4874 6 N -2.0609 -0.6722 0.3571 N.am 1 UNL1111111111 -0.4910 7 N 0.9058 -0.2171 0.0937 N.3 1 UNL1111111111 -0.5715 8 C -3.4715 -0.4605 0.7177 C.3 1 UNL1111111111 0.1236 9 C -3.6742 0.8686 1.5124 C.3 1 UNL1111111111 -0.3101 10 C -4.4204 -0.3782 -0.5213 C.3 1 UNL1111111111 -0.3194 11 C -4.9226 1.4551 0.9398 C.ar 1 UNL1111111111 -0.0015 12 C -5.3435 0.7533 -0.2055 C.ar 1 UNL1111111111 -0.0000 13 C -1.4225 0.1985 -0.5126 C.2 1 UNL1111111111 0.5673 14 C -0.0144 -0.1366 -1.0542 C.3 1 UNL1111111111 -0.0038 15 C -1.4888 -1.9470 0.7503 C.3 1 UNL1111111111 -0.1425 16 C -5.6312 2.5514 1.3974 C.ar 1 UNL1111111111 -0.1690 17 C -6.4752 1.1441 -0.8985 C.ar 1 UNL1111111111 -0.1690 18 CA 2.2395 -0.7417 -0.2441 C.3 1 UNL1111111111 0.0007 19 C -6.7776 2.9458 0.6982 C.ar 1 UNL1111111111 -0.1500 20 C -7.1941 2.2519 -0.4338 C.ar 1 UNL1111111111 -0.1498 21 C 0.3694 0.9323 -2.0807 C.3 1 UNL1111111111 -0.4781 22 C 3.3660 0.2883 -0.0643 C.3 1 UNL1111111111 -0.3055 23 C -1.7329 -3.0682 -0.2371 C.2 1 UNL1111111111 0.6076 24 C 4.6942 -0.2461 -0.6161 C.3 1 UNL1111111111 -0.2899 25 C 2.4456 -1.8749 0.7601 C.2 1 UNL1111111111 0.6253 26 C 5.7951 0.7110 -0.2714 C.ar 1 UNL1111111111 0.0107 27 C 6.1564 1.7209 -1.1646 C.ar 1 UNL1111111111 -0.1759 28 C 6.4501 0.6036 0.9575 C.ar 1 UNL1111111111 -0.1718 29 C 7.1678 2.6184 -0.8285 C.ar 1 UNL1111111111 -0.1374 30 C 7.4610 1.5018 1.2903 C.ar 1 UNL1111111111 -0.1338 31 C 7.8210 2.5105 0.3980 C.ar 1 UNL1111111111 -0.1609 32 H -3.8030 -1.3145 1.3612 H 1 UNL1111111111 0.1353 33 H -3.7418 0.6844 2.5965 H 1 UNL1111111111 0.1509 34 H -2.8193 1.5603 1.3651 H 1 UNL1111111111 0.1837 35 H -3.8543 -0.1651 -1.4514 H 1 UNL1111111111 0.1826 36 H -4.9486 -1.3287 -0.6903 H 1 UNL1111111111 0.1510 37 H -0.0580 -1.1429 -1.5559 H 1 UNL1111111111 0.1734 38 H -1.8889 -2.2583 1.7505 H 1 UNL1111111111 0.1840 39 H -0.3768 -1.8525 0.9161 H 1 UNL1111111111 0.2181 40 H -5.3050 3.1001 2.2762 H 1 UNL1111111111 0.1524 41 H -6.7997 0.6090 -1.7861 H 1 UNL1111111111 0.1524 42 H 0.9527 0.6582 0.6147 H 1 UNL1111111111 0.2882 43 HA 2.2639 -1.1597 -1.2873 H 1 UNL1111111111 0.1754 44 H -7.3454 3.8062 1.0452 H 1 UNL1111111111 0.1467 45 H -8.0859 2.5720 -0.9678 H 1 UNL1111111111 0.1467 46 H 0.3784 1.9369 -1.6360 H 1 UNL1111111111 0.1680 47 H -0.3684 0.9773 -2.8949 H 1 UNL1111111111 0.1714 48 H 1.3492 0.7396 -2.5259 H 1 UNL1111111111 0.1472 49 H 3.1011 1.2343 -0.5772 H 1 UNL1111111111 0.1593 50 H 3.4801 0.5529 1.0089 H 1 UNL1111111111 0.1700 51 H 4.6261 -0.3957 -1.7126 H 1 UNL1111111111 0.1521 52 H 4.9103 -1.2534 -0.2016 H 1 UNL1111111111 0.1576 53 H -1.9855 -3.3371 -2.1734 H 1 UNL1111111111 0.3570 54 H 5.6506 1.8095 -2.1229 H 1 UNL1111111111 0.1499 55 H 6.1689 -0.1810 1.6575 H 1 UNL1111111111 0.1565 56 H 2.6320 -3.8459 0.6665 H 1 UNL1111111111 0.3567 57 H 7.4481 3.4055 -1.5258 H 1 UNL1111111111 0.1487 58 H 7.9698 1.4159 2.2489 H 1 UNL1111111111 0.1505 59 H 8.6104 3.2122 0.6583 H 1 UNL1111111111 0.1510 @BOND 1 1 13 2 2 2 23 1 3 2 53 1 4 3 23 2 5 4 25 1 6 4 56 1 7 5 25 2 8 6 8 1 9 6 13 am 10 6 15 1 11 7 14 1 12 7 18 1 13 7 42 1 14 8 9 1 15 8 10 1 16 8 32 1 17 9 11 1 18 9 33 1 19 9 34 1 20 10 12 1 21 10 35 1 22 10 36 1 23 11 12 ar 24 11 16 ar 25 12 17 ar 26 13 14 1 27 14 21 1 28 14 37 1 29 15 23 1 30 15 38 1 31 15 39 1 32 16 19 ar 33 16 40 1 34 17 20 ar 35 17 41 1 36 18 22 1 37 18 25 1 38 18 43 1 39 19 20 ar 40 19 44 1 41 20 45 1 42 21 46 1 43 21 47 1 44 21 48 1 45 22 24 1 46 22 49 1 47 22 50 1 48 24 26 1 49 24 51 1 50 24 52 1 51 26 27 ar 52 26 28 ar 53 27 29 ar 54 27 54 1 55 28 30 ar 56 28 55 1 57 29 31 ar 58 29 57 1 59 30 31 ar 60 30 58 1 61 31 59 1