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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 0.16247 55 15 0.3459161 0.04800175 -0.9370367 0.4406416 0.8733938 0.2074086 0.828358 -0.4846433 0.2809694 0.75818 -0.45874 -55.669
seed 0
mol 1
atom 1 - C ** - 0.2405672 2.788965 -0.302619 -0.7900734 3 2 d 3 s 5 s
atom 2 - O ** - -0.3637753 3.877052 0.06509558 -1.211698 1 1 d
atom 3 - N ** - 0.05222988 2.148117 -1.220028 -1.684425 2 1 s 4 s
atom 4 - C ** - -0.003117085 0.7915217 -1.648188 -1.596951 3 3 s 13 d 17 s
atom 5 - C ** - -0.1614699 2.296105 0.1139758 0.5856054 2 1 s 6 s
atom 6 - C ** - -0.07884502 0.861506 0.6610664 0.6830676 2 5 s 7 s
atom 7 - N ** - -0.07637072 0.5752904 1.969748 1.310603 3 6 s 8 s 10 s
atom 8 - C ** - -0.07296515 1.166754 3.146309 0.6348293 2 7 s 9 s
atom 9 - C ** - -0.1359096 2.666726 3.253749 0.8582388 2 8 s 12 s
atom 10 - C ** - -0.07199717 0.7698492 2.081599 2.776078 2 7 s 11 s
atom 11 - C ** - -0.1220117 2.22896 2.148164 3.200306 2 10 s 12 s
atom 12 - C ** - -0.09249544 3.147979 2.946967 2.276532 2 9 s 11 s
atom 13 - C ** - -0.1729226 0.04451157 -1.917853 -2.756677 2 4 d 14 s
atom 14 - C ** - 0.04329228 -1.319499 -2.151389 -2.650293 2 13 s 15 d
atom 15 - C ** - -0.5853729 -1.978637 -2.065123 -1.416757 3 14 d 16 s 18 s
atom 16 - C ** - 0.02436757 -1.197133 -1.95301 -0.2670593 2 15 s 17 d
atom 17 - C ** - -0.1917639 0.1790228 -1.826742 -0.351439 2 4 s 16 d
atom 18 - S ** - 2.229264 -3.751778 -2.113549 -1.332352 4 15 s 19 s 20 d 21 d
atom 19 - N ** - -0.4519982 -4.04779 -1.258623 0.1761792 1 18 s
atom 20 - O ** - -0.8537912 -4.317368 -1.298429 -2.403541 1 18 d
atom 21 - O ** - -0.8176389 -4.239238 -3.472807 -1.156804 1 18 d
endmol 1