@MOLECULE n-{(2s,13s)-2-[4-hydroxy-3-(2-methyl-2-propanyl)benzyl]-3,7,14-trioxo-1,4,8-triazacyclotetradecan-13-yl}-l-phenylalaninamide 84 86 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.8791 -0.2348 1.1251 O.2 1 UNL1111111111 -0.5394 2 O 6.8753 -0.5779 0.0310 O.3 1 UNL1111111111 -0.4805 3 O 1.4322 2.8820 -2.0336 O.2 1 UNL1111111111 -0.5163 4 O -5.1131 -0.8910 -1.1751 O.2 1 UNL1111111111 -0.5485 5 O -1.0497 5.3271 -0.7752 O.2 1 UNL1111111111 -0.5174 6 N -0.6239 0.9052 -0.8133 N.am 1 UNL1111111111 -0.5965 7 N -3.3989 -1.0334 0.2912 N.am 1 UNL1111111111 -0.6000 8 N 1.3381 3.2585 0.2008 N.am 1 UNL1111111111 -0.5973 9 N -1.7801 5.4406 1.3589 N.am 1 UNL1111111111 -0.6132 10 N -6.3916 -3.1241 -0.0793 N.3 1 UNL1111111111 -0.6234 11 C 4.9974 -2.3915 1.0862 C.3 1 UNL1111111111 0.1385 12 C -2.9068 0.3012 -0.0551 C.3 1 UNL1111111111 0.0178 13 C -3.4891 1.3691 0.8951 C.3 1 UNL1111111111 -0.2989 14 C 0.8271 0.9952 -0.6450 C.3 1 UNL1111111111 0.0175 15 C 1.5587 0.0804 -1.6494 C.3 1 UNL1111111111 -0.2848 16 C 4.6220 -1.2845 0.1251 C.ar 1 UNL1111111111 -0.0966 17 C -3.0880 2.7723 0.4359 C.3 1 UNL1111111111 -0.2705 18 C 2.9826 -0.0796 -1.2185 C.ar 1 UNL1111111111 -0.0752 19 C -1.3843 0.2815 0.1480 C.2 1 UNL1111111111 0.5542 20 C -3.6900 3.8457 1.3484 C.3 1 UNL1111111111 -0.2945 21 C 3.3165 -1.0978 -0.3176 C.ar 1 UNL1111111111 -0.1299 22 C 5.9767 -3.3398 0.3713 C.3 1 UNL1111111111 -0.4643 23 C 5.6430 -1.7801 2.3421 C.3 1 UNL1111111111 -0.4642 24 C 3.7800 -3.2212 1.5410 C.3 1 UNL1111111111 -0.4629 25 C 5.5895 -0.3962 -0.3808 C.ar 1 UNL1111111111 0.2620 26 C 1.2228 2.4625 -0.9171 C.2 1 UNL1111111111 0.5465 27 C -3.1794 5.2474 0.9610 C.3 1 UNL1111111111 -0.0660 28 C 3.9634 0.7885 -1.6910 C.ar 1 UNL1111111111 -0.0972 29 C 5.2806 0.6339 -1.2698 C.ar 1 UNL1111111111 -0.3013 30 C -4.5038 -1.5414 -0.3487 C.2 1 UNL1111111111 0.5234 31 C -4.9352 -2.9700 0.0350 C.3 1 UNL1111111111 -0.0068 32 C 1.5934 4.6936 0.0508 C.3 1 UNL1111111111 -0.0418 33 C 0.6383 5.5277 0.9226 C.3 1 UNL1111111111 -0.4012 34 C -4.2413 -3.9482 -0.9434 C.3 1 UNL1111111111 -0.3029 35 C -0.7802 5.4020 0.4045 C.2 1 UNL1111111111 0.5853 36 C -2.8508 -4.2283 -0.4683 C.ar 1 UNL1111111111 -0.0043 37 C -1.7657 -3.5117 -0.9756 C.ar 1 UNL1111111111 -0.1758 38 C -2.6453 -5.1936 0.5206 C.ar 1 UNL1111111111 -0.1743 39 C -0.4839 -3.7446 -0.4807 C.ar 1 UNL1111111111 -0.1269 40 C -1.3635 -5.4287 1.0099 C.ar 1 UNL1111111111 -0.1399 41 C -0.2831 -4.6997 0.5139 C.ar 1 UNL1111111111 -0.1546 42 H -3.1980 0.5356 -1.1168 H 1 UNL1111111111 0.1825 43 H -4.5935 1.2719 0.9106 H 1 UNL1111111111 0.1623 44 H -3.1522 1.1811 1.9329 H 1 UNL1111111111 0.1572 45 H 1.1073 0.6900 0.4033 H 1 UNL1111111111 0.1868 46 H 1.4938 0.5035 -2.6751 H 1 UNL1111111111 0.1751 47 H 1.0435 -0.9019 -1.7017 H 1 UNL1111111111 0.1626 48 H -3.4181 2.9423 -0.6085 H 1 UNL1111111111 0.1522 49 H -1.9850 2.8787 0.4175 H 1 UNL1111111111 0.1475 50 H -3.4509 3.6304 2.4054 H 1 UNL1111111111 0.1393 51 H -4.7946 3.8265 1.2771 H 1 UNL1111111111 0.1481 52 H -1.0188 1.3296 -1.6404 H 1 UNL1111111111 0.3304 53 H 2.5198 -1.7527 0.0385 H 1 UNL1111111111 0.1645 54 H 6.9221 -2.8374 0.1331 H 1 UNL1111111111 0.1608 55 H 5.5511 -3.7025 -0.5702 H 1 UNL1111111111 0.1455 56 H 6.2183 -4.2068 0.9927 H 1 UNL1111111111 0.1431 57 H 4.9783 -1.0438 2.8058 H 1 UNL1111111111 0.1452 58 H 6.5847 -1.2707 2.1060 H 1 UNL1111111111 0.1616 59 H 5.8706 -2.5485 3.0864 H 1 UNL1111111111 0.1427 60 H 3.2972 -3.7216 0.6951 H 1 UNL1111111111 0.1447 61 H 3.0372 -2.5983 2.0511 H 1 UNL1111111111 0.1501 62 H 4.0844 -4.0027 2.2466 H 1 UNL1111111111 0.1463 63 H -2.8600 -1.5552 0.9728 H 1 UNL1111111111 0.3373 64 H -3.2796 5.4090 -0.1408 H 1 UNL1111111111 0.1760 65 H -3.7973 6.0339 1.4490 H 1 UNL1111111111 0.1316 66 H 3.6988 1.5913 -2.3834 H 1 UNL1111111111 0.1714 67 H 6.0533 1.3051 -1.6295 H 1 UNL1111111111 0.1579 68 H -4.6372 -3.2160 1.0856 H 1 UNL1111111111 0.1598 69 H 1.1126 2.9178 1.1193 H 1 UNL1111111111 0.3113 70 H 2.6505 4.9067 0.3332 H 1 UNL1111111111 0.1415 71 H 1.4740 4.9837 -1.0277 H 1 UNL1111111111 0.1940 72 H -1.5828 5.4086 2.3418 H 1 UNL1111111111 0.3033 73 H 0.9335 6.5989 0.8634 H 1 UNL1111111111 0.1814 74 H 0.7306 5.2497 1.9872 H 1 UNL1111111111 0.1573 75 H -4.8423 -4.8845 -1.0004 H 1 UNL1111111111 0.1819 76 H -4.2567 -3.5429 -1.9742 H 1 UNL1111111111 0.1648 77 H 7.4885 0.0794 -0.3795 H 1 UNL1111111111 0.3227 78 H -6.8800 -2.6467 0.6635 H 1 UNL1111111111 0.2533 79 H -6.7355 -2.7791 -0.9665 H 1 UNL1111111111 0.2694 80 H -1.9199 -2.7660 -1.7528 H 1 UNL1111111111 0.1560 81 H -3.4902 -5.7595 0.9087 H 1 UNL1111111111 0.1553 82 H 0.3588 -3.1745 -0.8690 H 1 UNL1111111111 0.1516 83 H -1.2056 -6.1799 1.7810 H 1 UNL1111111111 0.1459 84 H 0.7168 -4.8743 0.9043 H 1 UNL1111111111 0.1498 @BOND 1 1 19 2 2 2 25 1 3 2 77 1 4 3 26 2 5 4 30 2 6 5 35 2 7 6 14 1 8 6 19 am 9 6 52 1 10 7 12 1 11 7 30 am 12 7 63 1 13 8 26 am 14 8 32 1 15 8 69 1 16 9 27 1 17 9 35 am 18 9 72 1 19 10 31 1 20 10 78 1 21 10 79 1 22 11 16 1 23 11 22 1 24 11 23 1 25 11 24 1 26 12 13 1 27 12 19 1 28 12 42 1 29 13 17 1 30 13 43 1 31 13 44 1 32 14 15 1 33 14 26 1 34 14 45 1 35 15 18 1 36 15 46 1 37 15 47 1 38 16 21 ar 39 16 25 ar 40 17 20 1 41 17 48 1 42 17 49 1 43 18 21 ar 44 18 28 ar 45 20 27 1 46 20 50 1 47 20 51 1 48 21 53 1 49 22 54 1 50 22 55 1 51 22 56 1 52 23 57 1 53 23 58 1 54 23 59 1 55 24 60 1 56 24 61 1 57 24 62 1 58 25 29 ar 59 27 64 1 60 27 65 1 61 28 29 ar 62 28 66 1 63 29 67 1 64 30 31 1 65 31 34 1 66 31 68 1 67 32 33 1 68 32 70 1 69 32 71 1 70 33 35 1 71 33 73 1 72 33 74 1 73 34 36 1 74 34 75 1 75 34 76 1 76 36 37 ar 77 36 38 ar 78 37 39 ar 79 37 80 1 80 38 40 ar 81 38 81 1 82 39 41 ar 83 39 82 1 84 40 41 ar 85 40 83 1 86 41 84 1