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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 0.25389 55 15 0.756236 -0.05933402 0.6516031 -0.1468515 0.9550809 0.2574008 -0.6376063 -0.2903446 0.7135532 -0.22929 0.68681 -54.706
seed 0
mol 1
atom 1 - O ** - -0.587616 -1.833602 1.067022 3.543305 1 3 d
atom 2 - O ** - -0.5845375 -0.004772662 0.02846076 3.827189 1 3 d
atom 3 - N ** - 1.305064 -0.8604695 0.4907316 3.103247 3 1 d 2 d 6 s
atom 4 - N ** - -0.001483917 2.525805 -1.816399 -1.178407 1 12 t
atom 5 - N ** - 0.005457878 -0.2997585 0.2199993 -3.736506 1 13 t
atom 6 - C ** - -0.3959088 -0.7162282 0.3483517 1.611915 3 3 s 7 d 9 s
atom 7 - C ** - 0.01250744 0.3868292 -0.3118149 1.065085 2 6 d 8 s
atom 8 - C ** - 0.05320787 0.5072761 -0.4458814 -0.3234946 3 7 s 10 d 12 s
atom 9 - C ** - 0.002102852 -1.702396 0.8843399 0.7776143 2 6 s 11 d
atom 10 - C ** - 0.1277537 -0.4571255 0.140834 -1.159643 3 8 d 11 s 13 s
atom 11 - C ** - -0.1019068 -1.564987 0.7877413 -0.5988952 2 9 d 10 s
atom 12 - C ** - -0.1260657 1.617138 -1.188476 -0.8231291 2 4 t 8 s
atom 13 - C ** - -0.1342125 -0.3490244 0.1502125 -2.58034 2 5 t 10 s
endmol 1