20
exo-start-finish.1
C                0.6917      2.0465      0.2840
H                0.5836      2.9001      0.9508
C                0.0062      1.9342     -1.0031
H               -0.6663      2.6951     -1.3949
C                0.3248      0.7440     -1.5688
H               -0.0257      0.3420     -2.5178
C                1.3694      0.0572     -0.7344
H                2.3466      0.0613     -1.2551
H                1.1338     -0.9999     -0.5168
C                1.4226      0.9238      0.4925
H                2.0387      0.6806      1.3565
C               -0.8136     -0.3959      1.2327
H               -0.6449      0.4869      1.8511
C               -1.4446     -0.5000      0.0473
H               -1.9231      0.2761     -0.5517
C               -1.4588     -1.9547     -0.3307
C               -0.4046     -1.7809      1.6499
O               -0.8196     -2.6947      0.6725
O               -1.8856     -2.5803     -1.2628
O                0.1696     -2.2414      2.5988
20
exo-start-finish.2
C                0.6868      2.0283      0.2880
H                0.5877      2.8860      0.9507
C                0.0015      1.9167     -0.9983
H               -0.6626      2.6823     -1.3954
C                0.3021      0.7159     -1.5535
H               -0.0551      0.3111     -2.4989
C                1.3517      0.0311     -0.7233
H                2.3283      0.0494     -1.2451
H                1.1308     -1.0303     -0.5135
C                1.3993      0.8947      0.5062
H                2.0082      0.6474      1.3743
C               -0.8047     -0.3678      1.2260
H               -0.6656      0.5085      1.8608
C               -1.4358     -0.4724      0.0394
H               -1.9444      0.2965     -0.5439
C               -1.4291     -1.9246     -0.3488
C               -0.3756     -1.7500      1.6323
O               -0.7800     -2.6628      0.6495
O               -1.8486     -2.5502     -1.2843
O                0.2050     -2.2098      2.5778
20
exo-start-finish.3
C                0.6816      2.0119      0.2915
H                0.5903      2.8732      0.9508
C               -0.0030      1.9003     -0.9938
H               -0.6596      2.6697     -1.3961
C                0.2804      0.6893     -1.5386
H               -0.0829      0.2818     -2.4807
C                1.3377      0.0089     -0.7140
H                2.3134      0.0473     -1.2371
H                1.1368     -1.0581     -0.5143
C                1.3767      0.8679      0.5195
H                1.9792      0.6175      1.3912
C               -0.7921     -0.3422      1.2181
H               -0.6811      0.5264      1.8684
C               -1.4240     -0.4469      0.0299
H               -1.9606      0.3143     -0.5376
C               -1.4047     -1.8975     -0.3642
C               -0.3511     -1.7229      1.6171
O               -0.7508     -2.6350      0.6315
O               -1.8200     -2.5232     -1.3016
O                0.2337     -2.1827      2.5601
20
exo-start-finish.4
C                0.6767      1.9969      0.2943
H                0.5930      2.8617      0.9502
C               -0.0070      1.8853     -0.9896
H               -0.6565      2.6577     -1.3975
C                0.2595      0.6640     -1.5238
H               -0.1092      0.2540     -2.4630
C                1.3261     -0.0108     -0.7058
H                2.3006      0.0499     -1.2301
H                1.1472     -1.0835     -0.5172
C                1.3544      0.8428      0.5323
H                1.9516      0.5904      1.4072
C               -0.7771     -0.3185      1.2094
H               -0.6956      0.5414      1.8754
C               -1.4101     -0.4230      0.0194
H               -1.9755      0.3299     -0.5310
C               -1.3833     -1.8726     -0.3781
C               -0.3291     -1.6983      1.6031
O               -0.7276     -2.6099      0.6166
O               -1.7965     -2.4986     -1.3165
O                0.2583     -2.1589      2.5444
20
exo-start-finish.5
C                0.6720      1.9827      0.2965
H                0.5960      2.8506      0.9493
C               -0.0105      1.8709     -0.9853
H               -0.6536      2.6459     -1.3986
C                0.2391      0.6392     -1.5091
H               -0.1338      0.2279     -2.4464
C                1.3162     -0.0291     -0.6986
H                2.2888      0.0552     -1.2239
H                1.1603     -1.1071     -0.5215
C                1.3327      0.8183      0.5446
H                1.9261      0.5652      1.4222
C               -0.7605     -0.2954      1.2004
H               -0.7112      0.5542      1.8827
C               -1.3950     -0.3999      0.0079
H               -1.9910      0.3433     -0.5233
C               -1.3634     -1.8487     -0.3912
C               -0.3086     -1.6749      1.5902
O               -0.7074     -2.5860      0.6033
O               -1.7758     -2.4755     -1.3296
O                0.2795     -2.1368      2.5305
20
exo-start-finish.6
C                0.6681      1.9703      0.2975
H                0.6004      2.8409      0.9476
C               -0.0129      1.8586     -0.9812
H               -0.6499      2.6358     -1.4000
C                0.2193      0.6159     -1.4947
H               -0.1570      0.2044     -2.4308
C                1.3082     -0.0452     -0.6927
H                2.2785      0.0621     -1.2187
H                1.1747     -1.1278     -0.5270
C                1.3113      0.7950      0.5562
H                1.9021      0.5424      1.4360
C               -0.7418     -0.2737      1.1908
H               -0.7281      0.5640      1.8896
C               -1.3783     -0.3783     -0.0050
H               -2.0072      0.3536     -0.5137
C               -1.3453     -1.8271     -0.4031
C               -0.2904     -1.6536      1.5787
O               -0.6910     -2.5646      0.5924
O               -1.7576     -2.4552     -1.3410
O                0.2971     -2.1174      2.5189
20
exo-start-finish.7
C                0.6644      1.9595      0.2973
H                0.6061      2.8329      0.9449
C               -0.0140      1.8478     -0.9769
H               -0.6439      2.6271     -1.4027
C                0.1997      0.5928     -1.4801
H               -0.1774      0.1835     -2.4169
C                1.3021     -0.0596     -0.6879
H                2.2693      0.0718     -1.2143
H                1.1915     -1.1464     -0.5338
C                1.2899      0.7722      0.5676
H                1.8808      0.5223      1.4483
C               -0.7218     -0.2533      1.1816
H               -0.7484      0.5702      1.8969
C               -1.3611     -0.3582     -0.0189
H               -2.0252      0.3608     -0.5012
C               -1.3296     -1.8072     -0.4138
C               -0.2740     -1.6341      1.5684
O               -0.6778     -2.5449      0.5833
O               -1.7427     -2.4372     -1.3503
O                0.3122     -2.1002      2.5085
20
exo-start-finish.8
C                0.6614      1.9509      0.2952
H                0.6143      2.8264      0.9411
C               -0.0133      1.8402     -0.9718
H               -0.6354      2.6212     -1.4063
C                0.1805      0.5709     -1.4655
H               -0.1939      0.1675     -2.4064
C                1.2986     -0.0717     -0.6852
H                2.2621      0.0840     -1.2119
H                1.2102     -1.1622     -0.5428
C                1.2688      0.7495      0.5783
H                1.8636      0.5052      1.4584
C               -0.7002     -0.2343      1.1728
H               -0.7742      0.5723      1.9047
C               -1.3432     -0.3399     -0.0348
H               -2.0476      0.3628     -0.4841
C               -1.3160     -1.7900     -0.4229
C               -0.2603     -1.6164      1.5602
O               -0.6679     -2.5271      0.5768
O               -1.7305     -2.4234     -1.3570
O                0.3230     -2.0857      2.5010
20
exo-start-finish.9
C                0.6582      1.9467      0.2895
H                0.6269      2.8240      0.9341
C               -0.0101      1.8368     -0.9658
H               -0.6224      2.6185     -1.4130
C                0.1622      0.5486     -1.4506
H               -0.2028      0.1570     -2.4004
C                1.2997     -0.0803     -0.6847
H                2.2583      0.1021     -1.2110
H                1.2345     -1.1739     -0.5543
C                1.2478      0.7272      0.5884
H                1.8546      0.4956      1.4642
C               -0.6761     -0.2180      1.1660
H               -0.8107      0.5656      1.9150
C               -1.3252     -0.3244     -0.0529
H               -2.0746      0.3583     -0.4593
C               -1.3079     -1.7763     -0.4292
C               -0.2511     -1.6030      1.5546
O               -0.6634     -2.5128      0.5727
O               -1.7260     -2.4143     -1.3593
O                0.3282     -2.0774      2.4961
20
exo-start-finish.10
C                0.6562      1.9523      0.2773
H                0.6523      2.8314      0.9205
C               -0.0015      1.8443     -0.9580
H               -0.5976      2.6261     -1.4270
C                0.1434      0.5263     -1.4350
H               -0.1995      0.1591     -2.4032
C                1.3074     -0.0821     -0.6889
H                2.2595      0.1307     -1.2145
H                1.2667     -1.1787     -0.5714
C                1.2261      0.7041      0.5982
H                1.8587      0.4971      1.4623
C               -0.6489     -0.2071      1.1638
H               -0.8656      0.5433      1.9282
C               -1.3088     -0.3155     -0.0756
H               -2.1150      0.3381     -0.4185
C               -1.3077     -1.7710     -0.4306
C               -0.2505     -1.5973      1.5550
O               -0.6679     -2.5051      0.5748
O               -1.7292     -2.4165     -1.3548
O                0.3219     -2.0794      2.4975
20
exo-start-finish.11
C                0.6546      1.9684      0.2633
H                0.6897      2.8501      0.9017
C                0.0081      1.8622     -0.9511
H               -0.5624      2.6444     -1.4500
C                0.1225      0.5072     -1.4191
H               -0.1892      0.1705     -2.4092
C                1.3168     -0.0758     -0.6946
H                2.2611      0.1683     -1.2187
H                1.3009     -1.1747     -0.5901
C                1.2026      0.6846      0.6092
H                1.8686      0.5085      1.4554
C               -0.6173     -0.2038      1.1648
H               -0.9206      0.5089      1.9374
C               -1.2922     -0.3147     -0.1027
H               -2.1509      0.3068     -0.3732
C               -1.3148     -1.7762     -0.4277
C               -0.2566     -1.6023      1.5600
O               -0.6856     -2.5073      0.5844
O               -1.7415     -2.4308     -1.3436
O                0.3064     -2.0941      2.5037
20
exo-start-finish.12
C                0.6504      1.9782      0.2574
H                0.7168      2.8625      0.8894
C                0.0097      1.8730     -0.9457
H               -0.5381      2.6563     -1.4674
C                0.1011      0.4918     -1.4040
H               -0.1882      0.1757     -2.4081
C                1.3195     -0.0712     -0.6963
H                2.2565      0.1994     -1.2188
H                1.3253     -1.1711     -0.6031
C                1.1791      0.6690      0.6208
H                1.8679      0.5136      1.4536
C               -0.5858     -0.1998      1.1610
H               -0.9449      0.4875      1.9347
C               -1.2717     -0.3124     -0.1272
H               -2.1607      0.2878     -0.3489
C               -1.3178     -1.7800     -0.4269
C               -0.2585     -1.6060      1.5622
O               -0.7044     -2.5090      0.5945
O               -1.7514     -2.4408     -1.3350
O                0.2952     -2.1047      2.5079
20
cis-exo-5-norbornene-2,3-dicarboxylic anhydride7
C                0.6445      1.9817      0.2564
H                0.7358      2.8679      0.8820
C                0.0071      1.8770     -0.9407
H               -0.5217      2.6615     -1.4794
C                0.0793      0.4777     -1.3892
H               -0.1933      0.1759     -2.4031
C                1.3175     -0.0696     -0.6956
H                2.2475      0.2242     -1.2164
H                1.3428     -1.1699     -0.6129
C                1.1558      0.6544      0.6325
H                1.8610      0.5131      1.4547
C               -0.5559     -0.1933      1.1541
H               -0.9528      0.4765      1.9266
C               -1.2497     -0.3073     -0.1489
H               -2.1579      0.2782     -0.3364
C               -1.3160     -1.7801     -0.4284
C               -0.2565     -1.6059      1.5620
O               -0.7187     -2.5074      0.6021
O               -1.7564     -2.4453     -1.3299
O                0.2876     -2.1093      2.5105
20
cis-exo-5-norbornene-2,3-dicarboxylic anhydride6
C                0.6378      1.9816      0.2575
H                0.7499      2.8694      0.8770
C                0.0023      1.8773     -0.9359
H               -0.5099      2.6626     -1.4886
C                0.0577      0.4636     -1.3744
H               -0.2006      0.1735     -2.3965
C                1.3136     -0.0697     -0.6934
H                2.2369      0.2454     -1.2126
H                1.3572     -1.1699     -0.6204
C                1.1325      0.6401      0.6441
H                1.8516      0.5104      1.4575
C               -0.5268     -0.1855      1.1455
H               -0.9535      0.4701      1.9164
C               -1.2269     -0.3005     -0.1693
H               -2.1494      0.2735     -0.3293
C               -1.3123     -1.7779     -0.4312
C               -0.2523     -1.6036      1.5602
O               -0.7300     -2.5036      0.6078
O               -1.7603     -2.4463     -1.3262
O                0.2824     -2.1105      2.5119
20
cis-exo-5-norbornene-2,3-dicarboxylic anhydride5
C                0.6309      1.9795      0.2597
H                0.7613      2.8684      0.8736
C               -0.0033      1.8753     -0.9311
H               -0.5006      2.6612     -1.4961
C                0.0361      0.4496     -1.3596
H               -0.2089      0.1698     -2.3890
C                1.3086     -0.0709     -0.6905
H                2.2250      0.2643     -1.2078
H                1.3696     -1.1707     -0.6268
C                1.1093      0.6258      0.6557
H                1.8410      0.5065      1.4609
C               -0.4983     -0.1769      1.1362
H               -0.9507      0.4666      1.9052
C               -1.2038     -0.2928     -0.1888
H               -2.1382      0.2713     -0.3250
C               -1.3074     -1.7742     -0.4347
C               -0.2469     -1.5999      1.5574
O               -0.7398     -2.4982      0.6124
O               -1.7632     -2.4452     -1.3237
O                0.2791     -2.1095      2.5122
20
cis-exo-5-norbornene-2,3-dicarboxylic anhydride4
C                0.6238      1.9761      0.2626
H                0.7716      2.8659      0.8708
C               -0.0092      1.8721     -0.9264
H               -0.4921      2.6583     -1.5029
C                0.0144      0.4355     -1.3449
H               -0.2180      0.1654     -2.3812
C                1.3028     -0.0726     -0.6873
H                2.2122      0.2823     -1.2026
H                1.3809     -1.1716     -0.6328
C                1.0859      0.6115      0.6675
H                1.8297      0.5019      1.4647
C               -0.4703     -0.1679      1.1266
H               -0.9461      0.4642      1.8934
C               -1.1809     -0.2846     -0.2079
H               -2.1257      0.2705     -0.3221
C               -1.3018     -1.7697     -0.4386
C               -0.2406     -1.5954      1.5542
O               -0.7485     -2.4917      0.6165
O               -1.7649     -2.4428     -1.3218
O                0.2767     -2.1075      2.5121
20
cis-exo-5-norbornene-2,3-dicarboxylic anhydride3
C                0.6169      1.9719      0.2657
H                0.7812      2.8623      0.8685
C               -0.0154      1.8680     -0.9220
H               -0.4847      2.6541     -1.5092
C               -0.0074      0.4215     -1.3300
H               -0.2274      0.1608     -2.3729
C                1.2967     -0.0747     -0.6838
H                2.1991      0.2995     -1.1970
H                1.3917     -1.1726     -0.6383
C                1.0624      0.5973      0.6792
H                1.8179      0.4970      1.4686
C               -0.4424     -0.1586      1.1171
H               -0.9402      0.4627      1.8814
C               -1.1580     -0.2761     -0.2268
H               -2.1124      0.2702     -0.3200
C               -1.2958     -1.7645     -0.4427
C               -0.2342     -1.5902      1.5507
O               -0.7562     -2.4844      0.6199
O               -1.7663     -2.4395     -1.3202
O                0.2745     -2.1047      2.5119
20
cis-exo-5-norbornene-2,3-dicarboxylic anhydride2
C                0.6103      1.9672      0.2691
H                0.7909      2.8577      0.8666
C               -0.0216      1.8635     -0.9176
H               -0.4774      2.6495     -1.5151
C               -0.0294      0.4076     -1.3151
H               -0.2374      0.1563     -2.3645
C                1.2906     -0.0768     -0.6805
H                2.1853      0.3166     -1.1913
H                1.4022     -1.1732     -0.6441
C                1.0388      0.5830      0.6910
H                1.8057      0.4918      1.4727
C               -0.4147     -0.1493      1.1077
H               -0.9337      0.4617      1.8693
C               -1.1354     -0.2677     -0.2459
H               -2.0988      0.2702     -0.3188
C               -1.2895     -1.7593     -0.4470
C               -0.2277     -1.5847      1.5474
O               -0.7637     -2.4764      0.6233
O               -1.7670     -2.4364     -1.3189
O                0.2724     -2.1012      2.5117
20
cis-exo-5-norbornene-2,3-dicarboxylic anhydride1
C                0.6038      1.9624      0.2724
H                0.8000      2.8527      0.8649
C               -0.0276      1.8587     -0.9134
H               -0.4705      2.6440     -1.5211
C               -0.0514      0.3937     -1.3002
H               -0.2474      0.1515     -2.3558
C                1.2850     -0.0786     -0.6773
H                2.1718      0.3343     -1.1856
H                1.4134     -1.1731     -0.6499
C                1.0152      0.5689      0.7028
H                1.7933      0.4867      1.4768
C               -0.3866     -0.1401      1.0987
H               -0.9262      0.4605      1.8573
C               -1.1129     -0.2594     -0.2653
H               -2.0845      0.2702     -0.3182
C               -1.2837     -1.7539     -0.4511
C               -0.2214     -1.5793      1.5440
O               -0.7713     -2.4681      0.6266
O               -1.7686     -2.4329     -1.3172
O                0.2698     -2.0981      2.5116
20
cis-exo-5-norbornene-2,3-dicarboxylic anhydride
C                0.5977      1.9576      0.2756
H                0.8088      2.8471      0.8635
C               -0.0334      1.8539     -0.9095
H               -0.4640      2.6381     -1.5269
C               -0.0734      0.3801     -1.2854
H               -0.2577      0.1471     -2.3471
C                1.2798     -0.0802     -0.6744
H                2.1583      0.3517     -1.1800
H                1.4244     -1.1727     -0.6559
C                0.9916      0.5550      0.7147
H                1.7807      0.4819      1.4812
C               -0.3582     -0.1310      1.0904
H               -0.9180      0.4594      1.8456
C               -1.0907     -0.2514     -0.2854
H               -2.0702      0.2701     -0.3183
C               -1.2780     -1.7485     -0.4551
C               -0.2153     -1.5740      1.5409
O               -0.7791     -2.4594      0.6299
O               -1.7704     -2.4297     -1.3153
O                0.2670     -2.0950      2.5116
20
cyclopentadiene+maleic_anhydride_exo_pm3.profile1
C                0.5917      1.9531      0.2788
H                0.8178      2.8416      0.8624
C               -0.0390      1.8495     -0.9057
H               -0.4577      2.6321     -1.5329
C               -0.0956      0.3667     -1.2706
H               -0.2680      0.1431     -2.3384
C                1.2750     -0.0817     -0.6717
H                2.1450      0.3687     -1.1744
H                1.4350     -1.1717     -0.6616
C                0.9679      0.5414      0.7267
H                1.7681      0.4775      1.4854
C               -0.3293     -0.1222      1.0830
H               -0.9092      0.4581      1.8341
C               -1.0691     -0.2438     -0.3065
H               -2.0557      0.2697     -0.3191
C               -1.2727     -1.7434     -0.4591
C               -0.2094     -1.5687      1.5380
O               -0.7869     -2.4503      0.6333
O               -1.7723     -2.4270     -1.3132
O                0.2640     -2.0924      2.5116
