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@andersx
Created November 16, 2016 11:54
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Double-ended growing string method output for Diels-Alder addition with restricted PM3 in MOPAC.
16
0.000000
C -3.465749 1.770886 -0.163111
C -3.495510 0.274438 -0.156039
C -2.369727 2.504185 -0.173519
C -2.429048 -0.501243 -0.157609
H -4.481770 -0.169305 -0.151008
H -1.424932 -0.100437 -0.161056
H -2.512978 -1.579124 -0.154330
H -4.433642 2.253450 -0.161103
H -1.381784 2.065131 -0.174821
H -2.411660 3.584501 -0.180658
C 1.227745 1.521344 0.408141
C 1.233936 0.210750 0.303903
H 1.449093 2.166298 -0.432314
H 0.998570 2.022708 1.339543
H 1.460044 -0.291304 -0.627838
H 1.010721 -0.433489 1.144449
16
-1.628970
C -3.470297 1.753858 -0.141950
C -3.485934 0.297210 -0.139169
C -2.351884 2.469402 -0.248042
C -2.383859 -0.443134 -0.253339
H -4.468257 -0.171168 -0.037719
H -1.394524 0.011105 -0.352748
H -2.393684 -1.528309 -0.249839
H -4.446666 2.245528 -0.050846
H -1.368925 1.994563 -0.331724
H -2.338288 3.553782 -0.249615
C 0.981853 1.527301 0.445118
C 1.004765 0.206767 0.372236
H 1.223336 2.173724 -0.395937
H 0.722897 2.066310 1.353810
H 1.266487 -0.334134 -0.534619
H 0.766350 -0.437912 1.215233
16
-0.839600
C -3.435195 1.754017 -0.083096
C -3.440656 0.296006 -0.087927
C -2.351899 2.470484 -0.382440
C -2.363061 -0.426141 -0.390756
H -4.388058 -0.185291 0.179779
H -1.423695 0.062346 -0.669726
H -2.346823 -1.512322 -0.380690
H -4.378834 2.240800 0.188510
H -1.414098 1.981946 -0.657039
H -2.328050 3.552452 -0.367310
C 0.760822 1.533802 0.519031
C 0.773904 0.212344 0.463133
H 1.077922 2.165165 -0.306303
H 0.446803 2.086079 1.400638
H 1.104440 -0.340513 -0.412634
H 0.473846 -0.418558 1.293931
16
0.253660
C -3.314657 1.750830 -0.000666
C -3.319967 0.293444 -0.015545
C -2.349321 2.479835 -0.560429
C -2.346962 -0.430458 -0.567856
H -4.175651 -0.191397 0.470527
H -1.497499 0.037588 -1.070474
H -2.337185 -1.517058 -0.557591
H -4.155499 2.230839 0.512834
H -1.512479 2.017513 -1.086006
H -2.332234 3.564705 -0.527944
C 0.495508 1.549575 0.622231
C 0.494031 0.227623 0.574391
H 0.899975 2.169405 -0.169038
H 0.113336 2.110035 1.467351
H 0.903080 -0.334653 -0.258487
H 0.110635 -0.393112 1.376899
16
3.888690
C -3.168274 1.746620 0.028479
C -3.170384 0.290035 0.026440
C -2.293537 2.468704 -0.675820
C -2.294024 -0.431596 -0.672616
H -3.901231 -0.195655 0.683143
H -1.611675 0.025237 -1.392240
H -2.259995 -1.516396 -0.633799
H -3.881648 2.231369 0.705041
H -1.623745 2.012825 -1.405136
H -2.232856 3.550370 -0.613260
C 0.139057 1.572934 0.691476
C 0.129866 0.252416 0.630417
H 0.636783 2.198155 -0.047021
H -0.253385 2.128845 1.539926
H 0.601010 -0.305988 -0.172426
H -0.259419 -0.373792 1.427090
16
14.549960
C -3.132783 1.734941 0.040284
C -3.150371 0.285697 0.013438
C -2.202530 2.431217 -0.628680
C -2.221903 -0.410179 -0.656847
H -3.877180 -0.220889 0.660889
H -1.661798 0.039685 -1.477583
H -2.157446 -1.495096 -0.598840
H -3.846413 2.235800 0.706855
H -1.657537 1.987122 -1.462369
H -2.104845 3.507248 -0.542266
C -0.172318 1.608593 0.619852
C -0.198398 0.275831 0.589876
H 0.425173 2.197772 -0.073503
H -0.502879 2.170732 1.494004
H 0.383851 -0.298035 -0.122186
H -0.555791 -0.310985 1.434136
16
25.837980
C -3.168698 1.717028 0.022978
C -3.192594 0.311913 0.011556
C -2.141964 2.382867 -0.602786
C -2.192267 -0.380007 -0.628093
H -3.924436 -0.210952 0.636409
H -1.708994 0.042689 -1.516043
H -2.123205 -1.463194 -0.551587
H -3.883587 2.254948 0.655311
H -1.670093 1.951567 -1.495085
H -2.036510 3.461256 -0.514528
C -0.488619 1.653713 0.543785
C -0.495426 0.278747 0.504527
H 0.212883 2.219109 -0.069258
H -0.814633 2.183860 1.436761
H 0.191065 -0.254231 -0.153788
H -0.812860 -0.302632 1.369008
16
2.865770
C -3.210805 1.679442 0.031955
C -3.243855 0.338154 0.028717
C -2.051684 2.351315 -0.547669
C -2.126196 -0.357624 -0.593323
H -3.973850 -0.212612 0.635308
H -1.678826 0.002038 -1.530262
H -2.070054 -1.450913 -0.534884
H -3.931027 2.254865 0.623174
H -1.639283 2.014601 -1.514296
H -1.988913 3.431580 -0.390799
C -0.714594 1.723872 0.433984
C -0.749148 0.243410 0.441666
H 0.074384 2.243661 -0.122664
H -1.112890 2.250830 1.305643
H 0.030356 -0.289444 -0.117500
H -1.098106 -0.285681 1.340003
16
-30.308580
C -3.301074 1.707268 -0.001315
C -3.314155 0.361313 0.026059
C -2.055052 2.319985 -0.511631
C -2.119515 -0.324149 -0.528365
H -4.099705 -0.196250 0.515998
H -1.778832 0.057315 -1.522380
H -2.085404 -1.424802 -0.476875
H -4.039811 2.312117 0.514158
H -1.745346 1.885592 -1.479438
H -2.013064 3.418810 -0.510826
C -0.915070 1.752288 0.426432
C -0.892714 0.235103 0.370917
H -0.019137 2.222115 -0.024153
H -1.126871 2.151236 1.434366
H -0.009224 -0.169611 -0.155250
H -1.094258 -0.279665 1.315286
16
-45.321000
C -3.363106 1.691547 -0.006793
C -3.388721 0.352919 -0.038666
C -2.107042 2.347315 -0.461198
C -2.143882 -0.322555 -0.489883
H -4.202121 -0.239395 0.388398
H -1.920625 -0.050311 -1.541832
H -2.171562 -1.423886 -0.421457
H -4.176585 2.295693 0.396944
H -1.899968 2.086706 -1.519152
H -2.133992 3.447042 -0.376394
C -0.942312 1.762649 0.367929
C -0.972545 0.232764 0.357640
H -0.008911 2.166895 -0.065787
H -1.076683 2.147236 1.395274
H -0.058901 -0.213993 -0.067168
H -1.135471 -0.158849 1.378467
16
-45.833440
C -3.341113 1.679522 -0.031181
C -3.359324 0.368072 -0.034744
C -2.048944 2.391071 -0.413498
C -2.089630 -0.377925 -0.426432
H -4.238000 -0.200751 0.227730
H -1.926778 -0.268605 -1.494705
H -2.178025 -1.437458 -0.219913
H -4.203415 2.271195 0.235013
H -1.879821 2.280524 -1.480625
H -2.108204 3.451839 -0.202965
C -0.850009 1.766657 0.356531
C -0.862888 0.206104 0.332781
H 0.076555 2.138200 -0.064488
H -0.892198 2.107582 1.383589
H 0.045973 -0.167108 -0.123812
H -0.882888 -0.164929 1.350039
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