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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 0.28805 55 15 -0.251359 -0.9436417 -0.2153112 0.9577873 -0.274565 0.08519076 -0.1395065 -0.1848089 0.9728225 -1.4703 -0.53846 -55.307
seed -1111
mol 1
atom 1 - C ** - 0 -3.4839 3.5087 0.8155 2 2 s 6 d
atom 2 - C ** - 0 -4.5078 2.8073 0.6853 3 1 s 3 d 23 s
atom 3 - C ** - 0 -4.5478 1.5065 0.6365 2 2 d 4 s
atom 4 - C ** - 0 -3.4942 0.8229 0.7282 2 3 s 5 d
atom 5 - C ** - 0 -2.4007 0.9765 0.8151 3 4 d 6 s 7 s
atom 6 - C ** - 0 -2.7118 3.1587 0.8939 2 1 d 5 s
atom 7 - C ** - 0 -1.6526 -0.0914 0.8456 3 5 s 8 s 14 d
atom 8 - C ** - 0 0.7516 -0.4999 0.7698 3 7 s 9 s 13 d
atom 9 - C ** - 0 1.8092 -0.9107 0.8272 2 8 s 10 d
atom 10 - C ** - 0 2.7915 -0.2493 0.7145 2 9 d 11 s
atom 11 - C ** - 0 2.706 1.1649 0.7049 3 10 s 12 d 24 s
atom 12 - C ** - 0 1.0356 2.1307 0.7736 2 11 d 13 s
atom 13 - C ** - 0 -1.5116 2.0242 0.6029 2 8 d 12 s
atom 14 - C ** - 0 -1.6947 -1.9462 0.7249 3 7 d 15 s 21 s
atom 15 - C ** - 0 -3.0303 -2.5728 0.7663 3 14 s 16 d 20 s
atom 16 - C ** - 0 -3.304 -3.5688 0.6744 2 15 d 17 s
atom 17 - C ** - 0 -4.4081 -3.814899 0.5828 2 16 s 18 d
atom 18 - C ** - 0 -5.4982 -3.0051 0.6481 2 17 d 19 s
atom 19 - C ** - 0 -5.3208 -1.8406 0.6601 2 18 s 20 d
atom 20 - C ** - 0 -4.2132 -1.7206 0.6158 2 15 s 19 d
atom 21 - C ** - 0 -0.417 -3.1582 0.5591 2 14 s 22 t
atom 22 - N ** - 0 0.3851 -3.9882 0.523 1 21 t
atom 23 - O ** - 0 -5.5523 3.6462 0.6336 1 2 s
atom 24 - O ** - 0 4.1773 1.644299 0.6333 2 11 s 25 s
atom 25 - C ** - 0 4.2462 3.1008 0.6393 3 24 s 26 s 27 s
atom 26 - C ** - 0 5.7863 3.6433 0.8256 1 25 s
atom 27 - C ** - 0 3.5493 3.7317 -0.7007 1 25 s
endmol 1