@MOLECULE valyl-n-(7-amino-1-chloro-2-oxo-3-heptanyl)phenylalaninamide 62 62 0 0 0 SMALL GASTEIGER @ATOM 1 CL -5.3945 -2.4177 -0.4108 Cl 1 UNL111111111 -0.0860 2 O 0.4950 -0.0017 -1.6677 O.2 1 UNL111111111 -0.5513 3 O 2.4272 0.9661 1.6423 O.2 1 UNL111111111 -0.5186 4 O -3.2856 -1.1279 1.0022 O.2 1 UNL111111111 -0.3817 5 N -0.8993 -0.2661 0.0976 N.am 1 UNL111111111 -0.5837 6 N 1.8751 2.0068 -0.2904 N.am 1 UNL111111111 -0.5996 7 N 5.1154 1.1862 1.3299 N.3 1 UNL111111111 -0.6446 8 N 3.7769 -4.9692 0.9860 N.3 1 UNL111111111 -0.6530 9 C -1.3673 -1.5778 -0.3459 C.3 1 UNL111111111 -0.0113 10 C 0.4510 1.7912 -0.0443 C.3 1 UNL111111111 0.0204 11 C -0.6282 -2.7178 0.3861 C.3 1 UNL111111111 -0.2906 12 C 0.8560 -2.7238 0.0001 C.3 1 UNL111111111 -0.2668 13 C 4.2656 1.7769 0.2773 C.3 1 UNL111111111 -0.0416 14 C 4.6485 1.1715 -1.1069 C.3 1 UNL111111111 -0.0517 15 C -0.3641 2.8885 -0.7616 C.3 1 UNL111111111 -0.3110 16 C 0.0389 0.4259 -0.6263 C.2 1 UNL111111111 0.5526 17 C 1.5910 -3.8816 0.6788 C.3 1 UNL111111111 -0.2834 18 C 2.7977 1.4860 0.6126 C.2 1 UNL111111111 0.5634 19 C -2.8593 -1.6628 0.0151 C.2 1 UNL111111111 0.4074 20 C -1.7511 2.9667 -0.2047 C.ar 1 UNL111111111 -0.0087 21 C 6.0732 1.5926 -1.4794 C.3 1 UNL111111111 -0.4549 22 C 4.5095 -0.3507 -1.0881 C.3 1 UNL111111111 -0.4475 23 C 3.0944 -3.8152 0.3548 C.3 1 UNL111111111 -0.1012 24 C -3.7119 -2.4509 -0.9375 C.3 1 UNL111111111 -0.3202 25 C -2.7911 2.2455 -0.7935 C.ar 1 UNL111111111 -0.1682 26 C -2.0077 3.7781 0.9023 C.ar 1 UNL111111111 -0.1684 27 C -4.0834 2.3430 -0.2819 C.ar 1 UNL111111111 -0.1286 28 C -3.3029 3.8844 1.4027 C.ar 1 UNL111111111 -0.1343 29 C -4.3421 3.1684 0.8110 C.ar 1 UNL111111111 -0.1479 30 H -1.2064 -1.6730 -1.4554 H 1 UNL111111111 0.1812 31 H 0.2697 1.8306 1.0674 H 1 UNL111111111 0.1880 32 H -0.7307 -2.5927 1.4824 H 1 UNL111111111 0.1600 33 H -1.0908 -3.6909 0.1414 H 1 UNL111111111 0.1418 34 H 1.3225 -1.7575 0.2860 H 1 UNL111111111 0.1569 35 H 0.9686 -2.7845 -1.0989 H 1 UNL111111111 0.1477 36 H 4.3828 2.8938 0.2225 H 1 UNL111111111 0.1314 37 H 3.9553 1.5865 -1.8778 H 1 UNL111111111 0.1180 38 H -0.3822 2.7012 -1.8563 H 1 UNL111111111 0.1665 39 H 0.1527 3.8668 -0.6454 H 1 UNL111111111 0.1714 40 H -1.2498 0.0584 0.9922 H 1 UNL111111111 0.3360 41 H 2.1368 2.1800 -1.2534 H 1 UNL111111111 0.3183 42 H 1.1862 -4.8565 0.3442 H 1 UNL111111111 0.1511 43 H 1.4361 -3.8490 1.7729 H 1 UNL111111111 0.1402 44 H 6.3144 1.2876 -2.5049 H 1 UNL111111111 0.1471 45 H 6.8126 1.1206 -0.8216 H 1 UNL111111111 0.1583 46 H 6.2104 2.6769 -1.4190 H 1 UNL111111111 0.1356 47 H 5.1074 -0.7869 -0.2729 H 1 UNL111111111 0.1724 48 H 4.8441 -0.7970 -2.0286 H 1 UNL111111111 0.1428 49 H 3.4699 -0.6590 -0.9225 H 1 UNL111111111 0.1476 50 H 3.5145 -2.8371 0.6774 H 1 UNL111111111 0.1188 51 H 3.2486 -3.8919 -0.7440 H 1 UNL111111111 0.1387 52 H 4.6416 1.1315 2.2187 H 1 UNL111111111 0.2779 53 H 5.9885 1.6698 1.4213 H 1 UNL111111111 0.2529 54 H -3.4013 -3.5108 -0.9855 H 1 UNL111111111 0.1809 55 H -3.6829 -2.0301 -1.9599 H 1 UNL111111111 0.1826 56 H -2.5925 1.6034 -1.6492 H 1 UNL111111111 0.1527 57 H -1.1966 4.3316 1.3720 H 1 UNL111111111 0.1534 58 H 3.6347 -4.9909 1.9817 H 1 UNL111111111 0.2455 59 H 4.7653 -4.9643 0.8002 H 1 UNL111111111 0.2456 60 H -4.8927 1.7732 -0.7357 H 1 UNL111111111 0.1514 61 H -3.5050 4.5303 2.2550 H 1 UNL111111111 0.1481 62 H -5.3536 3.2535 1.2024 H 1 UNL111111111 0.1505 @BOND 1 1 24 1 2 2 16 2 3 3 18 2 4 4 19 2 5 5 9 1 6 5 16 am 7 5 40 1 8 6 10 1 9 6 18 am 10 6 41 1 11 7 13 1 12 7 52 1 13 7 53 1 14 8 23 1 15 8 58 1 16 8 59 1 17 9 11 1 18 9 19 1 19 9 30 1 20 10 15 1 21 10 16 1 22 10 31 1 23 11 12 1 24 11 32 1 25 11 33 1 26 12 17 1 27 12 34 1 28 12 35 1 29 13 14 1 30 13 18 1 31 13 36 1 32 14 21 1 33 14 22 1 34 14 37 1 35 15 20 1 36 15 38 1 37 15 39 1 38 17 23 1 39 17 42 1 40 17 43 1 41 19 24 1 42 20 25 ar 43 20 26 ar 44 21 44 1 45 21 45 1 46 21 46 1 47 22 47 1 48 22 48 1 49 22 49 1 50 23 50 1 51 23 51 1 52 24 54 1 53 24 55 1 54 25 27 ar 55 25 56 1 56 26 28 ar 57 26 57 1 58 27 29 ar 59 27 60 1 60 28 29 ar 61 28 61 1 62 29 62 1