@MOLECULE 1-[(2s,3r)-3-amino-2-hydroxy-4-phenylbutanoyl]-l-prolyl-l-prolyl-l-alaninamide 66 68 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.8767 0.1503 0.1045 O.2 1 UNL1111111111 -0.5440 2 O 1.3915 -2.0166 -1.4473 O.2 1 UNL1111111111 -0.5399 3 O 4.0339 -1.6508 -1.8344 O.3 1 UNL1111111111 -0.5114 4 O -4.1421 -0.4046 1.4888 O.2 1 UNL1111111111 -0.5345 5 O -6.6102 1.9759 -1.6651 O.2 1 UNL1111111111 -0.5311 6 N -2.0787 -1.7456 0.0315 N.am 1 UNL1111111111 -0.5040 7 N 1.5194 -1.2922 0.6714 N.am 1 UNL1111111111 -0.4976 8 N -4.6166 0.8637 -0.3233 N.am 1 UNL1111111111 -0.6046 9 N 2.4490 0.6122 -2.6611 N.3 1 UNL1111111111 -0.6647 10 N -7.5439 3.0958 0.0401 N.am 1 UNL1111111111 -0.6881 11 C 0.1991 -1.8245 1.0262 C.3 1 UNL1111111111 0.0324 12 C 0.0966 -1.6333 2.5560 C.3 1 UNL1111111111 -0.2835 13 C -3.2102 -1.1132 -0.6521 C.3 1 UNL1111111111 0.0332 14 C 1.0116 -0.4319 2.8549 C.3 1 UNL1111111111 -0.2671 15 C 2.0795 -0.4477 1.7406 C.3 1 UNL1111111111 -0.0523 16 C -4.1322 -2.2833 -1.0691 C.3 1 UNL1111111111 -0.2768 17 C -2.3766 -3.1412 0.3983 C.3 1 UNL1111111111 -0.0486 18 C -0.9452 -1.0370 0.3554 C.2 1 UNL1111111111 0.5589 19 C -3.8401 -3.3844 -0.0342 C.3 1 UNL1111111111 -0.2740 20 C 2.0226 -1.4121 -0.6012 C.2 1 UNL1111111111 0.5255 21 C -4.0017 -0.2007 0.3034 C.2 1 UNL1111111111 0.5654 22 C 3.4098 -0.8212 -0.9001 C.3 1 UNL1111111111 0.0535 23 C 3.2703 0.6335 -1.4267 C.3 1 UNL1111111111 0.0212 24 C 4.6641 1.1847 -1.8014 C.3 1 UNL1111111111 -0.3014 25 C -5.4246 1.8193 0.4351 C.3 1 UNL1111111111 0.0411 26 C 5.5447 1.3705 -0.6042 C.ar 1 UNL1111111111 0.0108 27 C -4.5702 3.0158 0.8669 C.3 1 UNL1111111111 -0.4681 28 C -6.5599 2.2923 -0.4942 C.2 1 UNL1111111111 0.5575 29 C 5.5131 2.5608 0.1255 C.ar 1 UNL1111111111 -0.1787 30 C 6.4369 0.3585 -0.2365 C.ar 1 UNL1111111111 -0.1706 31 C 6.3846 2.7464 1.1975 C.ar 1 UNL1111111111 -0.1415 32 C 7.3068 0.5476 0.8333 C.ar 1 UNL1111111111 -0.1404 33 C 7.2863 1.7442 1.5496 C.ar 1 UNL1111111111 -0.1671 34 H 0.1643 -2.9017 0.7206 H 1 UNL1111111111 0.1666 35 H 0.4433 -2.5376 3.0852 H 1 UNL1111111111 0.1493 36 H -0.9416 -1.4496 2.8872 H 1 UNL1111111111 0.1604 37 H -2.8255 -0.5353 -1.5307 H 1 UNL1111111111 0.1702 38 H 0.4292 0.5092 2.8229 H 1 UNL1111111111 0.1599 39 H 1.4623 -0.4969 3.8541 H 1 UNL1111111111 0.1426 40 H 2.3011 0.5747 1.3751 H 1 UNL1111111111 0.1374 41 H 3.0273 -0.9051 2.1046 H 1 UNL1111111111 0.1375 42 H -5.1969 -1.9989 -1.0800 H 1 UNL1111111111 0.1562 43 H -3.8865 -2.6206 -2.0918 H 1 UNL1111111111 0.1565 44 H -1.6825 -3.8211 -0.1442 H 1 UNL1111111111 0.1427 45 H -2.2478 -3.2974 1.4889 H 1 UNL1111111111 0.1342 46 H -3.9926 -4.3903 -0.4490 H 1 UNL1111111111 0.1444 47 H -4.5181 -3.2928 0.8337 H 1 UNL1111111111 0.1554 48 H 4.0990 -0.8717 -0.0241 H 1 UNL1111111111 0.1639 49 H 2.8137 1.2741 -0.6292 H 1 UNL1111111111 0.1223 50 H -4.5137 1.0560 -1.3107 H 1 UNL1111111111 0.3339 51 H 5.1321 0.4866 -2.5344 H 1 UNL1111111111 0.1822 52 H 4.5536 2.1339 -2.3622 H 1 UNL1111111111 0.1548 53 H -5.8529 1.3025 1.3415 H 1 UNL1111111111 0.1796 54 H 3.5356 -1.6293 -2.6935 H 1 UNL1111111111 0.3489 55 H 2.2189 1.5402 -2.9726 H 1 UNL1111111111 0.2562 56 H 1.5971 0.0807 -2.5320 H 1 UNL1111111111 0.2744 57 H -3.7173 2.6768 1.4774 H 1 UNL1111111111 0.1789 58 H -5.1367 3.7333 1.4657 H 1 UNL1111111111 0.1454 59 H -4.1440 3.5464 0.0054 H 1 UNL1111111111 0.1636 60 H 4.8182 3.3508 -0.1494 H 1 UNL1111111111 0.1508 61 H 6.4550 -0.5764 -0.8002 H 1 UNL1111111111 0.1691 62 H 6.3695 3.6807 1.7544 H 1 UNL1111111111 0.1440 63 H 8.0070 -0.2382 1.1084 H 1 UNL1111111111 0.1463 64 H -7.5643 3.3882 0.9895 H 1 UNL1111111111 0.3044 65 H -8.2786 3.4319 -0.5536 H 1 UNL1111111111 0.3137 66 H 7.9729 1.8952 2.3793 H 1 UNL1111111111 0.1448 @BOND 1 1 18 2 2 2 20 2 3 3 22 1 4 3 54 1 5 4 21 2 6 5 28 2 7 6 13 1 8 6 17 1 9 6 18 am 10 7 11 1 11 7 15 1 12 7 20 am 13 8 21 am 14 8 25 1 15 8 50 1 16 9 23 1 17 9 55 1 18 9 56 1 19 10 28 am 20 10 64 1 21 10 65 1 22 11 12 1 23 11 18 1 24 11 34 1 25 12 14 1 26 12 35 1 27 12 36 1 28 13 16 1 29 13 21 1 30 13 37 1 31 14 15 1 32 14 38 1 33 14 39 1 34 15 40 1 35 15 41 1 36 16 19 1 37 16 42 1 38 16 43 1 39 17 19 1 40 17 44 1 41 17 45 1 42 19 46 1 43 19 47 1 44 20 22 1 45 22 23 1 46 22 48 1 47 23 24 1 48 23 49 1 49 24 26 1 50 24 51 1 51 24 52 1 52 25 27 1 53 25 28 1 54 25 53 1 55 26 29 ar 56 26 30 ar 57 27 57 1 58 27 58 1 59 27 59 1 60 29 31 ar 61 29 60 1 62 30 32 ar 63 30 61 1 64 31 33 ar 65 31 62 1 66 32 33 ar 67 32 63 1 68 33 66 1