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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 0.11103 55 15 0.98668 -0.1099383 0.1199003 -0.05227886 -0.912263 -0.4062551 0.1540436 0.3945755 -0.9058591 0.050584 0.61547 -54.905
seed -1111
mol 1
atom 1 - C ** - 0 -3.4893 0.5269 0.016 2 2 s 6 d
atom 2 - C ** - 0 -3.4781 1.8859 -0.0176 2 1 s 3 d
atom 3 - C ** - 0 -2.4193 2.4045 0.0198 2 2 d 4 s
atom 4 - C ** - 0 -1.4222 1.5671 -0.0153 2 3 s 5 d
atom 5 - C ** - 0 -1.3436 0.6197 0.0968 3 4 d 6 s 7 s
atom 6 - C ** - 0 -2.6007 -0.0633 0.0465 2 1 d 5 s
atom 7 - C ** - 0 0.4385 -0.3539 0.1927 3 5 s 8 s 14 d
atom 8 - C ** - 0 0.8018 -2.406 0.1134 3 7 s 9 s 13 d
atom 9 - C ** - 0 1.668 -3.171 0.0275 2 8 s 10 d
atom 10 - C ** - 0 1.5197 -4.2972 -0.0075 2 9 d 11 s
atom 11 - C ** - 0 0.2794 -4.7811 -0.0046 2 10 s 12 d
atom 12 - C ** - 0 -1.0318 -3.8843 0.0103 2 11 d 13 s
atom 13 - C ** - 0 -1.2916 -1.5695 -0.1142 2 8 d 12 s
atom 14 - C ** - 0 1.5724 0.7821 0.0887 3 7 d 15 s 21 s
atom 15 - C ** - 0 1.626399 2.3247 0.0830999 3 14 s 16 d 20 s
atom 16 - C ** - 0 2.7448 2.7381 0.0004 2 15 d 17 s
atom 17 - C ** - 0 2.794699 4.0124 -0.0073 2 16 s 18 d
atom 18 - C ** - 0 1.5832 4.7527 -0.0129 2 17 d 19 s
atom 19 - C ** - 0 0.5713 4.172399 0.0156 2 18 s 20 d
atom 20 - C ** - 0 0.6189 3.1058 0.0824 2 15 s 19 d
atom 21 - C ** - 0 3.1078 -0.3534 -0.0217 2 14 s 22 t
atom 22 - N ** - 0 4.162 -0.8565 -0.0359 1 21 t
endmol 1