@MOLECULE l-tyrosyl-l-prolyl-l-leucylglycinamide 65 66 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.1648 -0.4393 -0.5064 O.2 1 UNL1111111111 -0.5269 2 O 1.8195 2.1047 1.0782 O.2 1 UNL1111111111 -0.5024 3 O -3.8237 0.3811 -1.5712 O.2 1 UNL1111111111 -0.5212 4 O 4.1116 -4.4846 -0.5417 O.3 1 UNL1111111111 -0.4787 5 O -6.7883 0.0036 0.5177 O.2 1 UNL1111111111 -0.5111 6 N 1.9410 1.7636 -1.1284 N.am 1 UNL1111111111 -0.5155 7 N -1.5609 1.0015 -0.2326 N.am 1 UNL1111111111 -0.5929 8 N 4.5423 3.1496 0.5800 N.3 1 UNL1111111111 -0.6405 9 N -4.4692 -1.2899 -0.1807 N.am 1 UNL1111111111 -0.5733 10 N -8.0773 -0.9976 -1.0322 N.am 1 UNL1111111111 -0.7004 11 C 0.4858 1.8588 -1.2764 C.3 1 UNL1111111111 0.0268 12 C 0.2430 1.8006 -2.8019 C.3 1 UNL1111111111 -0.2815 13 C 1.4167 0.9657 -3.3432 C.3 1 UNL1111111111 -0.2736 14 C 2.5607 1.1622 -2.3241 C.3 1 UNL1111111111 -0.0583 15 C -0.2756 0.6820 -0.6323 C.2 1 UNL1111111111 0.5672 16 C 2.5261 1.8732 0.1212 C.2 1 UNL1111111111 0.5634 17 C -2.4259 -0.0025 0.3752 C.3 1 UNL1111111111 0.0137 18 C 4.0601 1.8064 0.1931 C.3 1 UNL1111111111 -0.0105 19 C -2.8980 0.4620 1.7651 C.3 1 UNL1111111111 -0.3174 20 C -1.7215 0.6296 2.7483 C.3 1 UNL1111111111 -0.0436 21 C 4.4562 0.8078 1.3024 C.3 1 UNL1111111111 -0.2818 22 C -3.6439 -0.2291 -0.5409 C.2 1 UNL1111111111 0.5490 23 C -0.9524 -0.6806 2.9372 C.3 1 UNL1111111111 -0.4583 24 C -2.2709 1.1233 4.0921 C.3 1 UNL1111111111 -0.4592 25 C 4.3863 -0.5881 0.7725 C.ar 1 UNL1111111111 -0.0843 26 C 3.2177 -1.3376 0.9592 C.ar 1 UNL1111111111 -0.0804 27 C 5.4688 -1.1442 0.0898 C.ar 1 UNL1111111111 -0.1024 28 C -5.6686 -1.5412 -0.9690 C.3 1 UNL1111111111 -0.1566 29 C 3.1361 -2.6458 0.5063 C.ar 1 UNL1111111111 -0.2259 30 C 5.4091 -2.4545 -0.3827 C.ar 1 UNL1111111111 -0.3104 31 C 4.2463 -3.1884 -0.1485 C.ar 1 UNL1111111111 0.2822 32 C -6.8620 -0.7630 -0.4169 C.2 1 UNL1111111111 0.5612 33 H 0.1500 2.8223 -0.8159 H 1 UNL1111111111 0.1656 34 H -0.7332 1.3484 -3.0491 H 1 UNL1111111111 0.1628 35 H 0.2314 2.8105 -3.2383 H 1 UNL1111111111 0.1497 36 H 1.7147 1.2764 -4.3554 H 1 UNL1111111111 0.1425 37 H 1.1310 -0.1031 -3.4102 H 1 UNL1111111111 0.1602 38 H 3.0448 0.1941 -2.0794 H 1 UNL1111111111 0.1454 39 H 3.3395 1.8519 -2.7168 H 1 UNL1111111111 0.1287 40 H -1.8611 -0.9786 0.4546 H 1 UNL1111111111 0.1981 41 H 4.4965 1.4574 -0.7771 H 1 UNL1111111111 0.1250 42 H -1.9696 1.9101 -0.3810 H 1 UNL1111111111 0.3212 43 H -3.6278 -0.2561 2.1826 H 1 UNL1111111111 0.1440 44 H -3.4471 1.4209 1.6779 H 1 UNL1111111111 0.1559 45 H -1.0242 1.4041 2.3421 H 1 UNL1111111111 0.1533 46 H 3.7870 0.9556 2.1816 H 1 UNL1111111111 0.1883 47 H 5.4711 1.0397 1.6814 H 1 UNL1111111111 0.1577 48 H 5.5447 3.2116 0.5371 H 1 UNL1111111111 0.2534 49 H 4.1315 3.8829 0.0289 H 1 UNL1111111111 0.2567 50 H -1.6056 -1.5043 3.2370 H 1 UNL1111111111 0.1349 51 H -0.1797 -0.5700 3.7064 H 1 UNL1111111111 0.1469 52 H -0.4323 -0.9756 2.0137 H 1 UNL1111111111 0.1617 53 H -2.9431 0.3886 4.5483 H 1 UNL1111111111 0.1416 54 H -1.4564 1.3113 4.8028 H 1 UNL1111111111 0.1448 55 H -2.8251 2.0625 3.9828 H 1 UNL1111111111 0.1429 56 H -4.4807 -1.6424 0.7663 H 1 UNL1111111111 0.3141 57 H 2.3564 -0.8792 1.4530 H 1 UNL1111111111 0.1733 58 H 6.3745 -0.5632 -0.0701 H 1 UNL1111111111 0.1452 59 H -5.8784 -2.6372 -0.9638 H 1 UNL1111111111 0.1631 60 H -5.4843 -1.2385 -2.0332 H 1 UNL1111111111 0.1941 61 H 2.2348 -3.2421 0.6399 H 1 UNL1111111111 0.1797 62 H 6.2476 -2.8931 -0.9111 H 1 UNL1111111111 0.1537 63 H 4.9192 -4.8205 -0.9937 H 1 UNL1111111111 0.3231 64 H -8.8877 -0.4958 -0.7269 H 1 UNL1111111111 0.3138 65 H -8.1895 -1.5849 -1.8259 H 1 UNL1111111111 0.3024 @BOND 1 1 15 2 2 2 16 2 3 3 22 2 4 4 31 1 5 4 63 1 6 5 32 2 7 6 11 1 8 6 14 1 9 6 16 am 10 7 15 am 11 7 17 1 12 7 42 1 13 8 18 1 14 8 48 1 15 8 49 1 16 9 22 am 17 9 28 1 18 9 56 1 19 10 32 am 20 10 64 1 21 10 65 1 22 11 12 1 23 11 15 1 24 11 33 1 25 12 13 1 26 12 34 1 27 12 35 1 28 13 14 1 29 13 36 1 30 13 37 1 31 14 38 1 32 14 39 1 33 16 18 1 34 17 19 1 35 17 22 1 36 17 40 1 37 18 21 1 38 18 41 1 39 19 20 1 40 19 43 1 41 19 44 1 42 20 23 1 43 20 24 1 44 20 45 1 45 21 25 1 46 21 46 1 47 21 47 1 48 23 50 1 49 23 51 1 50 23 52 1 51 24 53 1 52 24 54 1 53 24 55 1 54 25 26 ar 55 25 27 ar 56 26 29 ar 57 26 57 1 58 27 30 ar 59 27 58 1 60 28 32 1 61 28 59 1 62 28 60 1 63 29 31 ar 64 29 61 1 65 30 31 ar 66 30 62 1