@MOLECULE n-undecanoyl-l-histidyl-l-histidyl-n-methyl-n-[2-(2-pyridinyl)ethyl]-l-tyrosinamide 109 112 0 0 0 SMALL GASTEIGER @ATOM 1 C 16.4065 1.9835 -0.5237 C.3 1 UNL1111111111 -0.4395 2 C 15.1572 1.9990 0.3577 C.3 1 UNL1111111111 -0.2511 3 C 13.9195 1.5735 -0.4434 C.3 1 UNL1111111111 -0.2719 4 C 12.6620 1.6077 0.4342 C.3 1 UNL1111111111 -0.2755 5 C 11.4269 1.1867 -0.3718 C.3 1 UNL1111111111 -0.2718 6 C 10.1601 1.2804 0.4889 C.3 1 UNL1111111111 -0.2752 7 C 8.9327 0.8326 -0.3143 C.3 1 UNL1111111111 -0.2700 8 C 7.6472 1.0333 0.4974 C.3 1 UNL1111111111 -0.2687 9 C 6.4328 0.5320 -0.2917 C.3 1 UNL1111111111 -0.2544 10 C 5.1336 0.8826 0.4446 C.3 1 UNL1111111111 -0.3517 11 C 3.9658 0.3577 -0.3490 C.2 1 UNL1111111111 0.6085 12 O 3.8737 0.4456 -1.5627 O.2 1 UNL1111111111 -0.5932 13 N 2.9527 -0.2325 0.3757 N.am 1 UNL1111111111 -0.5944 14 C 1.8114 -0.8357 -0.3077 C.3 1 UNL1111111111 0.0141 15 C 1.8711 -2.3766 -0.2520 C.3 1 UNL1111111111 -0.2917 16 C 3.1039 -2.9213 -0.8586 C.ar 1 UNL1111111111 -0.0034 17 C 3.8545 -4.0486 -0.5065 C.ar 1 UNL1111111111 -0.0966 18 N 4.9218 -4.1849 -1.3791 N.ar 1 UNL1111111111 -0.3714 19 C 4.8462 -3.1705 -2.2559 C.ar 1 UNL1111111111 0.0696 20 N 3.7300 -2.3776 -1.9838 N.ar 1 UNL1111111111 -0.3544 21 C 0.5676 -0.3488 0.4646 C.2 1 UNL1111111111 0.5565 22 O 0.5050 -0.4285 1.6741 O.2 1 UNL1111111111 -0.5336 23 N -0.4029 0.2463 -0.2981 N.am 1 UNL1111111111 -0.5683 24 C -1.5543 0.8862 0.3324 C.3 1 UNL1111111111 0.0175 25 C -1.6886 2.3515 -0.1337 C.3 1 UNL1111111111 -0.2806 26 C -0.5331 3.1432 0.3397 C.ar 1 UNL1111111111 0.0663 27 C 0.7658 3.1998 -0.1735 C.ar 1 UNL1111111111 -0.1409 28 N 1.4693 4.0806 0.6465 N.ar 1 UNL1111111111 -0.3522 29 C 0.5797 4.5371 1.6229 C.ar 1 UNL1111111111 0.0778 30 N -0.6262 3.9778 1.4482 N.ar 1 UNL1111111111 -0.3826 31 C -2.7973 0.0981 -0.1183 C.2 1 UNL1111111111 0.5521 32 O -2.8384 -0.4765 -1.1874 O.2 1 UNL1111111111 -0.5393 33 N -3.8263 0.0376 0.7877 N.am 1 UNL1111111111 -0.5812 34 C -4.9481 -0.8653 0.5484 C.3 1 UNL1111111111 0.0102 35 C -4.9498 -2.0018 1.6023 C.3 1 UNL1111111111 -0.3001 36 C -3.7903 -2.9146 1.3523 C.ar 1 UNL1111111111 -0.0668 37 C -2.5280 -2.5953 1.8591 C.ar 1 UNL1111111111 -0.0770 38 C -1.4256 -3.3938 1.5699 C.ar 1 UNL1111111111 -0.2994 39 C -1.6209 -4.5282 0.7819 C.ar 1 UNL1111111111 0.2815 40 O -0.6075 -5.3769 0.4620 O.3 1 UNL1111111111 -0.4691 41 C -2.8771 -4.8834 0.2802 C.ar 1 UNL1111111111 -0.2425 42 C -3.9595 -4.0634 0.5726 C.ar 1 UNL1111111111 -0.1030 43 C -6.2439 -0.0505 0.6865 C.2 1 UNL1111111111 0.5356 44 O -6.2755 0.9589 1.3646 O.2 1 UNL1111111111 -0.5389 45 N -7.3881 -0.5372 0.0938 N.am 1 UNL1111111111 -0.4758 46 C -7.3525 -1.5915 -0.9205 C.3 1 UNL1111111111 -0.2358 47 C -8.6091 0.2721 0.1519 C.3 1 UNL1111111111 -0.0515 48 C -8.7152 1.2319 -1.0548 C.3 1 UNL1111111111 -0.3236 49 C -10.0350 1.9426 -1.0146 C.ar 1 UNL1111111111 0.2003 50 C -10.1133 3.3383 -0.8921 C.ar 1 UNL1111111111 -0.2552 51 C -11.3713 3.9343 -0.8406 C.ar 1 UNL1111111111 -0.0615 52 C -12.5110 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