@MOLECULE 1-{3-phenyl-2-[(l-tyrosyl-l-prolyl)amino]propyl}-l-prolylglycine 80 83 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.3779 0.2083 1.1090 O.2 1 UNL1111111111 -0.5053 2 O 5.6736 -0.9258 -0.8052 O.2 1 UNL1111111111 -0.4653 3 O -3.0475 1.6137 -1.6169 O.2 1 UNL1111111111 -0.5046 4 O 6.2666 2.5558 -0.1700 O.3 1 UNL1111111111 -0.5553 5 O 8.1968 2.6791 -1.2827 O.2 1 UNL1111111111 -0.5018 6 O -3.9969 -3.3758 2.5559 O.3 1 UNL1111111111 -0.4796 7 N 3.2672 -1.1933 0.6836 N.3 1 UNL1111111111 -0.4133 8 N -2.9717 2.5398 0.4223 N.am 1 UNL1111111111 -0.5181 9 N 0.3574 1.0301 -0.1042 N.am 1 UNL1111111111 -0.6325 10 N 6.6504 0.2033 0.8863 N.am 1 UNL1111111111 -0.6121 11 N -5.6852 3.0062 -1.5549 N.3 1 UNL1111111111 -0.6425 12 C 4.5607 -0.9786 1.3780 C.3 1 UNL1111111111 -0.0347 13 C 4.9839 -2.3417 1.9841 C.3 1 UNL1111111111 -0.2787 14 C 2.6374 -2.3864 1.3105 C.3 1 UNL1111111111 -0.1022 15 C 2.4182 0.0140 0.7005 C.3 1 UNL1111111111 -0.1576 16 C 3.8105 -3.2981 1.7098 C.3 1 UNL1111111111 -0.2726 17 C 1.1104 -0.2345 -0.1127 C.3 1 UNL1111111111 0.1135 18 C -1.5067 2.5400 0.4168 C.3 1 UNL1111111111 0.0226 19 C -1.1134 3.2541 1.7301 C.3 1 UNL1111111111 -0.2783 20 C -2.2676 2.9318 2.6958 C.3 1 UNL1111111111 -0.2762 21 C -3.4963 2.6885 1.7920 C.3 1 UNL1111111111 -0.0577 22 C -0.8930 1.1229 0.4852 C.2 1 UNL1111111111 0.5576 23 C 1.4208 -0.6543 -1.5667 C.3 1 UNL1111111111 -0.3355 24 C 5.6095 -0.5656 0.3423 C.2 1 UNL1111111111 0.5664 25 C -3.6681 1.9991 -0.6509 C.2 1 UNL1111111111 0.5760 26 C -5.2024 2.0161 -0.5696 C.3 1 UNL1111111111 -0.0092 27 C 0.2109 -1.2801 -2.1868 C.ar 1 UNL1111111111 0.0221 28 C -5.7223 0.6227 -0.9772 C.3 1 UNL1111111111 -0.2803 29 C 0.0197 -2.6607 -2.0897 C.ar 1 UNL1111111111 -0.1780 30 C -0.7373 -0.4983 -2.8485 C.ar 1 UNL1111111111 -0.1585 31 C 7.7015 0.6716 -0.0020 C.3 1 UNL1111111111 -0.1310 32 C -5.2758 -0.4130 0.0030 C.ar 1 UNL1111111111 -0.0845 33 C -1.1012 -3.2530 -2.6656 C.ar 1 UNL1111111111 -0.1385 34 C -1.8575 -1.0933 -3.4253 C.ar 1 UNL1111111111 -0.1278 35 C -2.0381 -2.4732 -3.3416 C.ar 1 UNL1111111111 -0.1714 36 C 7.4587 2.0502 -0.5731 C.2 1 UNL1111111111 0.6086 37 C -4.1261 -1.1649 -0.2789 C.ar 1 UNL1111111111 -0.0780 38 C -5.9859 -0.6313 1.1813 C.ar 1 UNL1111111111 -0.1057 39 C -3.7006 -2.1546 0.5936 C.ar 1 UNL1111111111 -0.2139 40 C -5.5739 -1.6146 2.0805 C.ar 1 UNL1111111111 -0.3132 41 C -4.4461 -2.3689 1.7601 C.ar 1 UNL1111111111 0.2905 42 H 4.4843 -0.2081 2.1820 H 1 UNL1111111111 0.1276 43 H 5.9151 -2.7203 1.5288 H 1 UNL1111111111 0.1541 44 H 5.1891 -2.2464 3.0608 H 1 UNL1111111111 0.1376 45 H 2.0047 -2.1364 2.1859 H 1 UNL1111111111 0.1244 46 H 1.9844 -2.8678 0.5527 H 1 UNL1111111111 0.1528 47 H 2.9964 0.8386 0.2283 H 1 UNL1111111111 0.1480 48 H 2.1485 0.3465 1.7270 H 1 UNL1111111111 0.1255 49 H 3.5739 -3.9245 2.5817 H 1 UNL1111111111 0.1380 50 H 4.0569 -3.9903 0.8837 H 1 UNL1111111111 0.1534 51 H 0.5062 -1.0347 0.3932 H 1 UNL1111111111 0.1733 52 H -1.1622 3.0797 -0.5006 H 1 UNL1111111111 0.1614 53 H -1.0189 4.3425 1.5681 H 1 UNL1111111111 0.1470 54 H -0.1420 2.9107 2.1220 H 1 UNL1111111111 0.1522 55 H -2.4421 3.7434 3.4158 H 1 UNL1111111111 0.1402 56 H -2.0386 2.0236 3.2864 H 1 UNL1111111111 0.1609 57 H -4.1890 3.5560 1.8220 H 1 UNL1111111111 0.1287 58 H -4.0526 1.7797 2.1097 H 1 UNL1111111111 0.1464 59 H 0.6770 1.7323 -0.7545 H 1 UNL1111111111 0.3078 60 H 1.7893 0.2014 -2.1603 H 1 UNL1111111111 0.1538 61 H 2.2845 -1.3629 -1.5618 H 1 UNL1111111111 0.1934 62 H -5.5522 2.2524 0.4668 H 1 UNL1111111111 0.1213 63 H 6.5390 0.7099 1.7467 H 1 UNL1111111111 0.3085 64 H -6.8251 0.6375 -1.0707 H 1 UNL1111111111 0.1480 65 H -5.3498 0.3922 -2.0046 H 1 UNL1111111111 0.1885 66 H 0.7471 -3.2750 -1.5636 H 1 UNL1111111111 0.1467 67 H -0.6180 0.5818 -2.9035 H 1 UNL1111111111 0.1534 68 H 8.6788 0.6694 0.5407 H 1 UNL1111111111 0.1747 69 H 7.8108 -0.0428 -0.8681 H 1 UNL1111111111 0.2107 70 H -6.6887 3.0474 -1.5837 H 1 UNL1111111111 0.2543 71 H -5.3107 3.9250 -1.3960 H 1 UNL1111111111 0.2547 72 H -1.2469 -4.3277 -2.5871 H 1 UNL1111111111 0.1418 73 H -2.5960 -0.4721 -3.9316 H 1 UNL1111111111 0.1552 74 H -2.9066 -2.9402 -3.7986 H 1 UNL1111111111 0.1448 75 H -3.5565 -0.9597 -1.1921 H 1 UNL1111111111 0.1773 76 H -6.8718 -0.0412 1.4026 H 1 UNL1111111111 0.1414 77 H -2.8056 -2.7401 0.3995 H 1 UNL1111111111 0.1808 78 H -6.1217 -1.7883 2.9974 H 1 UNL1111111111 0.1517 79 H 6.0499 3.4267 -0.5848 H 1 UNL1111111111 0.3556 80 H -4.5418 -3.4823 3.3697 H 1 UNL1111111111 0.3212 @BOND 1 1 22 2 2 2 24 2 3 3 25 2 4 4 36 1 5 4 79 1 6 5 36 2 7 6 41 1 8 6 80 1 9 7 12 1 10 7 14 1 11 7 15 1 12 8 18 1 13 8 21 1 14 8 25 am 15 9 17 1 16 9 22 am 17 9 59 1 18 10 24 am 19 10 31 1 20 10 63 1 21 11 26 1 22 11 70 1 23 11 71 1 24 12 13 1 25 12 24 1 26 12 42 1 27 13 16 1 28 13 43 1 29 13 44 1 30 14 16 1 31 14 45 1 32 14 46 1 33 15 17 1 34 15 47 1 35 15 48 1 36 16 49 1 37 16 50 1 38 17 23 1 39 17 51 1 40 18 19 1 41 18 22 1 42 18 52 1 43 19 20 1 44 19 53 1 45 19 54 1 46 20 21 1 47 20 55 1 48 20 56 1 49 21 57 1 50 21 58 1 51 23 27 1 52 23 60 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