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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 0.16342 55 15 0.3585507 0.1529019 -0.920903 0.8851413 0.2577402 0.3874208 0.2965911 -0.9540393 -0.04292684 1.3068 -0.9237 -54.848
seed 0
mol 1
atom 1 - C ** - -0.1230564 -0.6160011 -0.2837267 1.428113 2 2 s 5 s
atom 2 - N ** - -0.06900501 -0.8453404 1.022253 0.773714 3 1 s 3 s 20 s
atom 3 - C ** - -0.07080889 0.345604 1.884266 0.6722168 2 2 s 4 s
atom 4 - C ** - -0.09666729 1.647493 1.201533 0.2624211 2 3 s 6 s
atom 5 - C ** - -0.1153445 0.7456232 -0.9559873 1.255909 2 1 s 6 s
atom 6 - N ** - -0.05427265 1.898514 -0.06185963 0.9977105 3 4 s 5 s 7 s
atom 7 - C ** - -0.07457829 3.131278 -0.765358 0.6072952 2 6 s 8 s
atom 8 - C ** - 0.2198839 3.336884 -1.4604 -0.7446802 3 7 s 9 d 10 s
atom 9 - O ** - -0.3154726 4.353545 -2.084995 -0.9748006 1 8 d
atom 10 - N ** - 0.0593648 2.477286 -1.297526 -1.921341 2 8 s 11 s
atom 11 - C ** - -0.2201719 1.154487 -1.777831 -1.982189 3 10 s 12 d 15 s
atom 12 - N ** - -0.08889341 0.2463248 -1.042788 -2.68731 2 11 d 13 s
atom 13 - N ** - 0.09917116 -0.9981849 -1.431447 -2.48916 2 12 s 14 d
atom 14 - C ** - -0.7454271 -1.141952 -2.481715 -1.65384 3 13 d 15 s 16 s
atom 15 - S ** - 0.3832393 0.3998479 -3.184486 -1.214676 2 11 s 14 s
atom 16 - S ** - 2.234004 -2.701041 -2.801396 -0.8027077 4 14 s 17 s 18 d 19 d
atom 17 - N ** - -0.40905 -3.936701 -2.669194 -2.02262 1 16 s
atom 18 - O ** - -0.8198991 -2.713123 -4.155765 -0.2866496 1 16 d
atom 19 - O ** - -0.8172474 -2.889388 -1.674374 0.1252647 1 16 d
atom 20 - C ** - -0.1392679 -1.72254 1.018936 -0.4175885 1 2 s
endmol 1