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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 0.11446 55 15 1 0 0 0 1 0 0 0 1 -0.13735 -0.01975 -55.145
seed -1111
mol 1
atom 1 - C ** - 0 -3.0961 0.4485 -0.0068 2 2 s 6 d
atom 2 - C ** - 0 -3.1077 1.773499 -0.0145 3 1 s 3 d 23 s
atom 3 - C ** - 0 -1.988 2.3183 -0.0696 2 2 d 4 s
atom 4 - C ** - 0 -1.1528 1.4615 0.1078 2 3 s 5 d
atom 5 - C ** - 0 -1.004599 0.6246 0.1074 3 4 d 6 s 7 s
atom 6 - C ** - 0 -2.2734 -0.3663 -0.0511 2 1 d 5 s
atom 7 - C ** - 0 1.1883 0.3373 -0.0115 3 5 s 8 s 14 d
atom 8 - C ** - 0 1.1115 -1.6705 0.359 3 7 s 9 s 13 d
atom 9 - C ** - 0 1.9465 -2.7843 0.2792 2 8 s 10 d
atom 10 - C ** - 0 1.866099 -3.9675 0.07 2 9 d 11 s
atom 11 - C ** - 0 0.6788 -4.5414 0.0112 2 10 s 12 d
atom 12 - C ** - 0 -0.5286 -3.4981 0.0382 2 11 d 13 s
atom 13 - C ** - 0 -0.1432 -0.3507 0.1744 3 8 d 12 s 24 s
atom 14 - C ** - 0 2.0106 0.6313 -0.0068 3 7 d 15 s 21 s
atom 15 - C ** - 0 1.9433 2.0223 -0.0646999 3 14 s 16 d 20 s
atom 16 - C ** - 0 3.0194 2.5749 -0.0104 2 15 d 17 s
atom 17 - C ** - 0 3.0096 3.9227 0.0047 2 16 s 18 d
atom 18 - C ** - 0 1.8161 4.6201 -0.003 2 17 d 19 s
atom 19 - C ** - 0 0.7935 4.0427 0.0018 2 18 s 20 d
atom 20 - C ** - 0 0.9455 2.9302 -0.0299 2 15 s 19 d
atom 21 - C ** - 0 3.4874 -0.2643 -0.0124 2 14 s 22 t
atom 22 - N ** - 0 4.5181 -0.7715 0.0104 1 21 t
atom 23 - O ** - 0 -4.3134 2.5467 -0.0057 1 2 s
atom 24 - H ** - 0 -0.148 -0.327 0.1742 1 13 s
endmol 1