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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 0.14116 60.25 20.25 0.04092676 -0.07211944 -0.996556 0.02781877 0.9970872 -0.07101542 0.9987748 -0.02481653 0.04281382 -0.18045 0.16746 -60.082
seed 0
mol 1
atom 1 - C ** - 0.1630418 -0.7102 -3.2228 1.9059 3 2 d 6 s 7 s
atom 2 - C ** - 0.07710028 -0.71 -1.3189 1.638199 3 1 d 3 s 16 s
atom 3 - C ** - 0.2746823 0.8432 0.33 1.7395 4 2 s 4 s 18 s 19 s
atom 4 - C ** - 0.05533957 1.739399 -1.6276 0.2383 3 3 s 5 s 8 s
atom 5 - C ** - -0.136096 1.9768 -4.1561 0.249 2 4 s 6 s
atom 6 - C ** - 0.1255288 0.8146 -4.3185 1.6537 3 1 s 5 s 29 s
atom 7 - C ** - 0.005793571 -2.6424 -4.2877 2.3263 1 1 s
atom 8 - C ** - 0.1005087 3.2022 -0.8599 -0.3951 3 4 s 9 s 31 s
atom 9 - C ** - -0.1893015 2.1162 0.4841 -1.091 3 8 s 10 s 14 s
atom 10 - C ** - -0.09727049 2.6034 1.5768 -2.061799 3 9 s 11 s 23 d
atom 11 - C ** - 0.1440542 1.3973 3.1586 -1.9705 3 10 s 12 s 30 s
atom 12 - C ** - 0.06098199 -0.7871 3.082 -1.3191 2 11 s 13 s
atom 13 - C ** - -0.2133098 -1.5368 0.859 -2.1348 2 12 s 14 s
atom 14 - C ** - 0.3591521 -0.1998 -0.0293 -1.3858 4 9 s 13 s 15 s 24 s
atom 15 - C ** - -0.1386995 -1.8229 0.6938 0.8118 3 14 s 16 s 25 s
atom 16 - C ** - 0.1605816 -2.2866 -0.7312 1.5525 4 2 s 15 s 17 s 41 s
atom 17 - O ** - -0.3246899 -2.6969 -1.1559 2.6264 2 16 s 20 s
atom 18 - C ** - -0.1479092 0.7454 0.3311 3.933799 1 3 s
atom 19 - C ** - -0.2402382 0.9899 2.0987 1.0468 2 3 s 42 s
atom 20 - C ** - 0.1145999 -2.8414 -2.3996 -0.0333 3 17 s 21 s 22 d
atom 21 - C ** - -0.1446772 -4.3959 -1.9085 -0.6673 1 20 s
atom 22 - O ** - -0.4448404 -1.9466 -3.2868 -0.8477 1 20 d
atom 23 - C ** - -0.1921625 3.830899 1.5131 -2.9229 1 10 d
atom 24 - C ** - 0.0009865761 0.5982 -2.0089 -3.0936 1 14 s
atom 25 - O ** - -0.3311234 -3.1292 1.565799 0.3022 2 15 s 26 s
atom 26 - C ** - 0.3021033 -3.4932 2.7474 1.2287 3 25 s 27 s 28 d
atom 27 - C ** - -0.07351017 -3.3507 4.3538 0.6179 1 26 s
atom 28 - O ** - -0.3700581 -3.9021 2.4958 2.4701 1 26 d
atom 29 - O ** - -0.3338561 1.6905 -4.2292 3.0885 2 6 s 38 s
atom 30 - O ** - -0.3288584 1.2385 3.1739 -3.58 2 11 s 35 s
atom 31 - O ** - -0.3863111 3.7805 -1.9451 -1.5483 2 8 s 32 s
atom 32 - C ** - 0.3307896 5.1799 -2.1894 -2.1798 3 31 s 33 s 34 d
atom 33 - C ** - 0.03895593 5.4511 -3.1044 -3.9072 1 32 s
atom 34 - O ** - -0.3989453 6.1591 -1.5636 -1.5573 1 32 d
atom 35 - C ** - 0.3213444 1.4381 4.415 -4.3218 3 30 s 36 s 37 d
atom 36 - C ** - -0.01407099 2.5175 4.4084 -5.8143 1 35 s
atom 37 - O ** - -0.3926334 0.6919 5.4263 -3.9323 1 35 d
atom 38 - C ** - 0.3272359 1.3435 -5.0656 4.3455 3 29 s 39 s 40 d
atom 39 - C ** - 0.01423264 2.3902 -4.9597 5.8881 1 38 s
atom 40 - O ** - -0.4047451 0.1998 -5.7096 4.311 1 38 d
atom 41 - H ** - 0.2043704 -2.8612 -1.1889 1.1577 1 16 s
atom 42 - H ** - 0.04900169 0.6319 2.1289 0.3082 1 19 s
endmol 1