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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 0.16286 57.25 17.25 0.9384203 0.04229087 -0.3428978 0.0873526 0.9311919 0.3539083 0.3342707 -0.3620677 0.8701552 1.6348 -2.5947 -57.661
seed 0
mol 1
atom 1 - C ** - -0.1294413 -2.501 -2.2763 3.8653 3 2 d 6 s 7 s
atom 2 - C ** - -0.2438765 -2.4765 -1.0316 3.1547 3 1 d 3 s 16 s
atom 3 - C ** - 0.1201727 -0.7733 -0.1918 3.2425 4 2 s 4 s 18 s 19 s
atom 4 - C ** - -0.06917667 0.2637 -1.7383 2.052299 3 3 s 5 s 8 s
atom 5 - C ** - -0.0946312 -0.1946 -3.5242 2.5524 2 4 s 6 s
atom 6 - C ** - 0.02148962 -0.8417 -3.1217 4.0275 2 1 s 5 s
atom 7 - C ** - -0.03025579 -4.1792 -2.5935 4.2578 1 1 s
atom 8 - C ** - 0.1589749 1.9857 -1.1804 1.3748 3 4 s 9 s 30 s
atom 9 - C ** - -0.01646662 1.1162 0.3876 0.9541 4 8 s 10 s 14 s 41 s
atom 10 - C ** - -0.1391134 1.7812 1.8564 -0.0320999 3 9 s 11 s 23 d
atom 11 - C ** - 0.1897044 0.8688 3.3403 -0.0432 3 10 s 12 s 25 s
atom 12 - C ** - -0.08993244 -0.6853 2.9983 0.4046 2 11 s 13 s
atom 13 - C ** - 0.08305907 -1.2492 1.1132 -0.4317 3 12 s 14 s 26 s
atom 14 - C ** - -0.03330517 -0.6452 0.0037 0.3077 4 9 s 13 s 15 s 24 s
atom 15 - C ** - 0.03314948 -2.7935 0.8103 1.8707 3 14 s 16 s 40 s
atom 16 - C ** - 0.2327433 -3.9708 -0.2674 2.449799 3 2 s 15 s 17 s
atom 17 - O ** - -0.4259901 -5.1871 -1.020899 1.0648 2 16 s 20 s
atom 18 - C ** - -0.1072187 -0.781 0.7526 5.1817 1 3 s
atom 19 - C ** - -0.2310982 -0.57 1.4965 2.6066 1 3 s
atom 20 - C ** - 0.3253872 -6.9188 -1.1082 0.0867 3 17 s 21 s 22 d
atom 21 - C ** - -0.003249168 -7.6914 -0.9158 -1.739199 1 20 s
atom 22 - O ** - -0.3025317 -7.8242 -1.5452 0.8092 1 20 d
atom 23 - C ** - -0.1948915 2.8816 1.9043 -0.9309 1 10 d
atom 24 - C ** - -0.04601479 -0.1282 -1.8176 -1.0094 1 14 s
atom 25 - O ** - -0.4081812 0.5282 3.8484 -1.5192 2 11 s 37 s
atom 26 - O ** - -0.4023871 -2.7647 0.309 -0.3157 2 13 s 27 s
atom 27 - C ** - 0.3806291 -3.3999 -1.1561 -0.7907 3 26 s 28 s 29 d
atom 28 - C ** - -0.09402895 -4.2033 -1.2403 -2.352 1 27 s
atom 29 - O ** - -0.2864013 -3.3988 -2.1321 0.0062 1 27 d
atom 30 - O ** - -0.4256854 2.6046 -1.9843 0.0429999 2 8 s 31 s
atom 31 - C ** - 0.3759811 4.076399 -2.4826 -0.6045 3 30 s 32 s 36 d
atom 32 - C ** - -0.008268833 4.251 -2.8504 -2.312599 2 31 s 33 s
atom 33 - C ** - -0.1181006 3.3532 -1.7711 -3.2411 2 32 s 34 s
atom 34 - C ** - -0.08611631 4.1858 -0.4801 -3.8938 2 33 s 35 s
atom 35 - C ** - -0.1173358 3.0494 0.6195 -4.3739 1 34 s
atom 36 - O ** - -0.3262177 5.0106 -2.7274 0.1835 1 31 d
atom 37 - C ** - 0.3845754 1.1127 4.7169 -2.709 3 25 s 38 s 39 d
atom 38 - C ** - -0.1003799 2.1159 4.1895 -3.8845 1 37 s
atom 39 - O ** - -0.3129096 0.6656 5.8554 -2.8747 1 37 d
atom 40 - C ** - -0.1635714 -3.4598 2.2155 1.0749 1 15 s
atom 41 - H ** - 0.06337994 1.0792 0.6529 1.9003 1 9 s
endmol 1