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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 0.15574 55 15 0.1522068 0.2188598 -0.963812 0.2253055 0.9418145 0.2494453 0.9623256 -0.2551194 0.09404022 0.3073 -0.82186 -55.377
seed 0
mol 1
atom 1 - C ** - 0.2498295 3.110691 -0.2681883 -0.5767348 3 2 d 3 s 5 s
atom 2 - O ** - -0.3630271 4.288638 -0.5916029 -0.5288547 1 1 d
atom 3 - N ** - 0.01953554 2.374366 -0.8671796 -1.648983 2 1 s 4 s
atom 4 - C ** - -0.01678467 1.004964 -1.26335 -1.478526 3 3 s 14 d 18 s
atom 5 - C ** - -0.1687002 2.537316 0.7790262 0.355695 2 1 s 6 s
atom 6 - C ** - -0.1077967 1.130715 1.318351 0.093241 2 5 s 7 s
atom 7 - N ** - -0.07575607 0.4554122 2.103786 1.169128 3 6 s 8 s 10 s
atom 8 - C ** - -0.08869934 0.6872904 3.563489 1.030645 2 7 s 9 s
atom 9 - C ** - -0.1096501 2.159875 3.873513 1.250925 2 8 s 12 s
atom 10 - C ** - -0.07798862 0.6869837 1.735299 2.587457 2 7 s 11 s
atom 11 - C ** - -0.1102409 2.085357 2.079507 3.101088 3 10 s 12 s 23 s
atom 12 - N ** - -0.07258129 2.734367 3.295033 2.50918 3 9 s 11 s 13 s
atom 13 - C ** - -0.1042395 4.189967 3.062279 2.309251 1 12 s
atom 14 - C ** - -0.1386762 0.1561995 -1.174999 -2.587257 2 4 d 15 s
atom 15 - C ** - 0.02216101 -1.213588 -1.298796 -2.406399 2 14 s 16 d
atom 16 - C ** - -0.5635881 -1.76596 -1.525562 -1.140858 3 15 d 17 s 19 s
atom 17 - C ** - 0.02206659 -0.8989017 -1.6879 -0.05785531 2 16 s 18 d
atom 18 - C ** - -0.1606226 0.4770973 -1.599275 -0.2223995 2 4 s 17 d
atom 19 - S ** - 2.219774 -3.532565 -1.719602 -1.008401 4 16 s 20 s 21 d 22 d
atom 20 - N ** - -0.4330411 -3.959411 -0.8117446 0.4342057 1 19 s
atom 21 - O ** - -0.8162513 -4.199894 -1.076268 -2.134541 1 19 d
atom 22 - O ** - -0.8534994 -3.830003 -3.118219 -0.7193223 1 19 d
atom 23 - H ** - 0.06728935 2.055306 2.271472 4.191285 1 11 s
endmol 1