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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 0.16645 57.1 17.1 0.5186825 -0.1251315 -0.8457603 0.2406051 0.970615 0.00395282 0.8204131 -0.2055445 0.5335483 0.82146 -0.21765 -56.664
seed 0
mol 1
atom 1 - C ** - -0.1785469 -0.8882 -1.99 -3.3986 3 2 d 6 s 7 s
atom 2 - C ** - -0.1494408 -0.9176 -0.6137 -4.0929 3 1 d 3 s 16 s
atom 3 - C ** - 0.1081996 1.0241 -0.3011 -4.7242 4 2 s 4 s 23 s 24 s
atom 4 - C ** - 0.03438234 1.9085 -0.2925 -2.9733 4 3 s 5 s 8 s 19 s
atom 5 - C ** - -0.1322889 2.5117 -1.7959 -3.0776 2 4 s 6 s
atom 6 - C ** - 0.2958717 0.8626 -2.6566 -3.1921 3 1 s 5 s 25 d
atom 7 - C ** - 0.006304264 -2.4446 -2.6933 -2.5829 1 1 s
atom 8 - C ** - 0.1928136 0.476 -0.1929 -1.6545 3 4 s 9 s 26 s
atom 9 - C ** - 0.05122781 -0.1308 1.5295 -0.5189 3 8 s 10 s 14 s
atom 10 - C ** - 0.04731369 -0.0927999 1.450699 1.6075 4 9 s 11 s 17 s 35 s
atom 11 - C ** - 0.003723383 0.4432 2.8929 2.4139 3 10 s 12 s 18 s
atom 12 - C ** - -0.07403755 -0.2761 4.2937 1.6888 2 11 s 13 s
atom 13 - C ** - 0.1120262 -1.9434 3.3551 1.0181 3 12 s 14 s 20 s
atom 14 - C ** - 0.01648712 -1.908399 1.7873 -0.5527 4 9 s 13 s 15 s 39 s
atom 15 - C ** - 0.06771803 -3.0909 1.7544 -2.2297 3 14 s 16 s 22 s
atom 16 - C ** - 0.1474109 -2.7435 0.3765 -3.7138 3 2 s 15 s 21 s
atom 17 - C ** - 0.04286742 1.3377 0.8595 2.0798 2 10 s 18 s
atom 18 - O ** - -0.2881293 1.880399 2.3974 2.0987 2 11 s 17 s
atom 19 - O ** - -0.3321066 3.0207 0.7339 -2.6571 1 4 s
atom 20 - O ** - -0.331099 -3.0426 4.321 0.7929 1 13 s
atom 21 - O ** - -0.3369441 -3.2599 0.9538 -5.0383 1 16 s
atom 22 - O ** - -0.3308501 -3.1968 3.0955 -2.801 1 15 s
atom 23 - C ** - -0.04174757 1.1935 1.5834 -5.4606 1 3 s
atom 24 - C ** - -0.06299877 1.7086 -2.021599 -5.7469 1 3 s
atom 25 - O ** - -0.3310337 0.9816 -3.8726 -3.086 1 6 d
atom 26 - O ** - -0.5532198 0.1602 -1.882 -0.6943 2 8 s 27 s
atom 27 - C ** - 0.4947765 -0.1235 -3.7675 -0.1986 3 26 s 28 s 34 d
atom 28 - C ** - -0.1058307 0.4193 -4.3908 1.3265 3 27 s 29 d 33 s
atom 29 - C ** - -0.04075146 -0.2204 -4.4338 2.787 2 28 d 30 s
atom 30 - C ** - -0.153636 0.3981 -3.3556 3.663 2 29 s 31 d
atom 31 - C ** - -0.07004786 1.4937 -2.8726 3.0419 2 30 d 32 s
atom 32 - C ** - -0.1499653 2.3235 -3.794 2.5857 2 31 s 33 d
atom 33 - C ** - -0.1087556 1.878499 -4.4496 1.3886 2 28 s 32 d
atom 34 - O ** - -0.2297335 -0.7625 -4.5535 -0.8299 1 27 d
atom 35 - O ** - -0.3492765 -1.4202 0.8169 2.3324 2 10 s 36 s
atom 36 - C ** - 0.3499589 -2.2941 1.4747 3.5702 3 35 s 37 s 38 d
atom 37 - C ** - -0.0619936 -3.857 2.1277 3.5742 1 36 s
atom 38 - O ** - -0.3192201 -1.6977 1.5401 4.637 1 36 d
atom 39 - C ** - -0.1745028 -2.4184 0.0494 -0.5181 1 14 s
endmol 1