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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 0.13556 55 15 -0.9375767 0.1515641 -0.3130148 0.05719906 0.9549864 0.2910827 0.3430425 0.2550082 -0.9040424 -1.326 -0.82802 -56.201
seed 0
mol 1
atom 1 - C ** - 0.2466166 0.919689 -0.4320353 -1.100638 3 2 d 3 s 5 s
atom 2 - O ** - -0.3488293 1.572697 0.1401032 -1.957376 1 1 d
atom 3 - N ** - 0.0279212 0.544953 -1.785071 -1.468989 2 1 s 4 s
atom 4 - C ** - -0.01028585 -0.7898588 -2.25217 -1.222111 3 3 s 14 d 18 s
atom 5 - C ** - -0.1274419 0.6217701 0.2031443 0.2563911 2 1 s 6 s
atom 6 - C ** - -0.08051395 -0.4009035 1.316991 0.04597993 2 5 s 7 s
atom 7 - N ** - -0.08689976 -0.9304456 2.129212 1.188978 3 6 s 8 s 10 s
atom 8 - C ** - -0.08165264 -0.9840274 3.578685 0.8376938 2 7 s 9 s
atom 9 - C ** - -0.1117654 0.4050796 4.206104 0.8355389 2 8 s 12 s
atom 10 - C ** - -0.07021809 -0.4253609 2.011963 2.574664 2 7 s 11 s
atom 11 - C ** - -0.09473324 0.8824898 2.744061 2.887877 2 10 s 12 s
atom 12 - N ** - -0.08173752 1.148551 3.985123 2.105563 3 9 s 11 s 13 s
atom 13 - C ** - -0.02441978 2.585884 4.347643 2.040039 2 12 s 23 s
atom 14 - C ** - -0.163228 -1.551316 -2.84377 -2.244625 2 4 d 15 s
atom 15 - C ** - 0.04331017 -2.926542 -2.944424 -2.084338 2 14 s 16 d
atom 16 - C ** - -0.6084499 -3.552785 -2.452488 -0.9316678 3 15 d 17 s 19 s
atom 17 - C ** - 0.005713463 -2.743449 -2.199559 0.1776789 2 16 s 18 d
atom 18 - C ** - -0.1698294 -1.367849 -2.119397 0.04640483 2 4 s 17 d
atom 19 - S ** - 2.246173 -5.27171 -1.961577 -1.021143 4 16 s 20 s 21 d 22 d
atom 20 - N ** - -0.4553623 -5.483845 -1.018411 0.4333685 1 19 s
atom 21 - O ** - -0.8156796 -5.387765 -1.043354 -2.146773 1 19 d
atom 22 - O ** - -0.8221941 -6.163236 -3.101834 -0.9154599 1 19 d
atom 23 - C ** - -0.09607124 3.542934 3.661527 1.101313 3 13 s 24 d 28 s
atom 24 - C ** - -0.1098895 4.901649 3.961434 1.273153 2 23 d 25 s
atom 25 - C ** - -0.09410763 5.862111 3.429446 0.4238144 2 24 s 26 d
atom 26 - C ** - -0.1071644 5.486557 2.587029 -0.6188953 2 25 d 27 s
atom 27 - C ** - -0.09227657 4.144521 2.283273 -0.8001594 2 26 s 28 d
atom 28 - C ** - -0.1289554 3.18406 2.810519 0.05894975 2 23 s 27 d
endmol 1