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© September 2007; August 2010 Lorentz JÄNTSCHI && Sorana Daniela BOLBOACĂ

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forcefield mm+
sys 0 0 1
view 40 0.095391 64 24 -0.6529585 0.7194602 0.2366901 0.4929298 0.6409407 -0.5884006 -0.5750351 -0.2675296 -0.773151 -0.12856 -1.0168 -66.265
seed 0
mol 1
atom 1 - C ** - -3.999706 -0.1609 1.2631 -0.416 3 2 d 6 s 36 s
atom 2 - C ** - -3.999972 -0.1756 2.4946 -1.1954 3 1 d 3 s 16 s
atom 3 - C ** - -3.999998 1.1462 3.1993 -1.7032 4 2 s 4 s 25 s 26 s
atom 4 - C ** - -3.975114 2.6088 0.319 -3.1768 4 3 s 5 s 7 s 8 s
atom 5 - C ** - -0.9005303 1.7424 -1.4233 -2.7161 2 4 s 6 s
atom 6 - C ** - -2.899105 0.7544 -0.8931 -1.238999 3 1 s 5 s 17 s
atom 7 - O ** - -1.998465 4.4252 0.1183 -2.6432 1 4 s
atom 8 - C ** - -3.950421 2.5238 0.4996 -4.1688 3 4 s 9 s 32 s
atom 9 - C ** - -3.999875 2.8464 2.3551 -3.6611 3 8 s 10 s 14 s
atom 10 - C ** - -3.999628 4.741 3.1383 -3.9369 4 9 s 11 s 28 s 56 s
atom 11 - C ** - -3.999997 4.1294 4.8828 -4.7124 3 10 s 12 s 27 s
atom 12 - C ** - -3.999997 2.4832 6.4449 -3.4259 2 11 s 13 s
atom 13 - C ** - -3.995452 -0.5446 5.829 -3.7388 3 12 s 14 s 33 s
atom 14 - C ** - -3.999315 0.6261 3.2321 -4.5804 4 9 s 13 s 15 s 57 s
atom 15 - C ** - -2.816977 -1.5107 2.8709 -3.375099 3 14 s 16 s 34 d
atom 16 - C ** - -3.994234 -1.6234 3.2403 -1.5816 3 2 s 15 s 35 s
atom 17 - O ** - -1.75797 1.8921 -0.9776 0.5755 2 6 s 18 s
atom 18 - C ** - -0.9377165 0.7104 -1.2059 1.6205 3 17 s 19 s 37 d
atom 19 - C ** - 0.127068 0.4944 -0.7715 3.2095 3 18 s 20 s 38 s
atom 20 - C ** - 2.628662 -1.3677 -1.8704 3.6481 3 19 s 21 s 22 s
atom 21 - C ** - 2.877904 -1.1971 -2.6712 5.195 3 20 s 40 d 44 s
atom 22 - N ** - 4.81689 -1.210799 -3.4951 2.5143 2 20 s 23 s
atom 23 - C ** - 3.384856 0.323 -4.4519 2.041599 3 22 s 24 s 39 d
atom 24 - C ** - 2.56849 2.2536 -4.0541 0.8815 3 23 s 53 s 55 s
atom 25 - C ** - -3.999998 -0.1228 4.5253 0.6173 1 3 s
atom 26 - C ** - -4 1.755199 4.4656 -2.1215 1 3 s
atom 27 - O ** - -1.999998 5.6943 5.2239 -4.4443 2 11 s 56 s
atom 28 - O ** - -1.782244 5.4756 1.7456 -5.4683 2 10 s 29 s
atom 29 - C ** - -0.04490089 4.5604 0.384 -6.7044 3 28 s 30 s 31 d
atom 30 - C ** - 1.332978 4.4936 -1.597999 -6.2125 1 29 s
atom 31 - O ** - 0.1873026 3.8393 0.799 -7.7309 1 29 d
atom 32 - O ** - 3.96421 -0.1143 -0.0415 -4.445 2 8 s 45 s
atom 33 - O ** - -1.583662 -0.955 6.5165 -5.0598 1 13 s
atom 34 - O ** - 4.815716 -2.5498 2.6394 -3.9288 1 15 d
atom 35 - O ** - -1.656048 -3.0254 2.7262 -0.8197 1 16 s
atom 36 - C ** - -3.670719 -1.2899 1.6362 1.1704 1 1 s
atom 37 - O ** - 0.9822521 -0.3502 -1.6333 1.0711 1 18 d
atom 38 - O ** - -0.3744936 1.7943 -1.0949 4.1049 1 19 s
atom 39 - O ** - 4.554245 0.0827 -5.6559 2.3313 1 23 d
atom 40 - C ** - 3.146604 -1.9043 -3.9307 5.6166 2 21 d 41 s
atom 41 - C ** - 3.098542 -1.4098 -4.811 6.8101 2 40 s 42 d
atom 42 - C ** - 2.908237 0.0077 -4.6337 7.3943 2 41 d 43 s
atom 43 - C ** - 2.642965 0.7966 -3.5524 6.8983 2 42 s 44 d
atom 44 - C ** - 2.460837 0.0229 -2.4035 6.1811 2 21 s 43 d
atom 45 - C ** - 3.999876 -2.5315 -0.3991 -3.9948 3 32 s 46 s 52 d
atom 46 - C ** - 3.999996 -5.540599 0.7633 -3.4032 3 45 s 47 d 51 s
atom 47 - C ** - 4 -5.9167 0.9611 -4.1508 2 46 d 48 s
atom 48 - C ** - 4 -6.0877 -0.7455 -4.5525 2 47 s 49 d
atom 49 - C ** - 4 -6.1264 -1.7701 -3.2218 2 48 d 50 s
atom 50 - C ** - 4 -5.507 -1.2598 -1.8866 2 49 s 51 d
atom 51 - C ** - 3.999979 -5.1876 0.2426 -1.956 2 46 s 50 d
atom 52 - O ** - 5.999994 -2.5659 -1.6672 -4.0003 1 45 d
atom 53 - C ** - 2.691505 2.6938 -6.0044 0.8636 2 24 s 54 s
atom 54 - C ** - 2.678665 4.3198 -5.5049 2.2184 2 53 s 55 s
atom 55 - C ** - 1.754278 4.5569 -3.2899 1.9902 2 24 s 54 s
atom 56 - C ** - -3.999997 5.8594 3.743 -3.0293 2 10 s 27 s
atom 57 - C ** - -3.216197 1.3724 2.3652 -5.9158 1 14 s
endmol 1