22
M81
O               -1.5949     -0.8354     -0.1036
C               -2.9015     -1.2374     -0.3448
H               -3.5996     -0.4133     -0.5897
H               -3.3895     -1.7527      0.5055
H               -3.0223     -1.9449     -1.1875
C                1.5003     -0.4230     -1.0319
C                0.5197      1.7672     -0.2878
C                1.2611      0.0737      1.4191
C                0.2040      1.1461      1.0858
C                1.2171     -1.0182      0.3324
C                0.4859      0.6461     -1.3577
H                1.4908      2.2590     -0.2740
H                2.2565      0.5060      1.4626
H               -0.7532      0.6410      0.9981
H                0.2097     -1.4384      0.2966
H               -0.4926      0.1587     -1.2556
H               -0.2282      2.5126     -0.5391
H                1.0467     -0.3837      2.3770
H                0.1873      1.9057      1.8634
Br               2.5384     -2.4115      0.7647
H                0.6799      1.0263     -2.3529
O                2.3846     -0.7842     -1.7804
22
M80
O               -1.5975     -0.8356     -0.1029
C               -2.9073     -1.2184     -0.3581
H               -3.5937     -0.3830     -0.5982
H               -3.4075     -1.7376      0.4825
H               -3.0308     -1.9145     -1.2100
C                1.4992     -0.4294     -1.0299
C                0.5200      1.7615     -0.2834
C                1.2649      0.0695      1.4226
C                0.2059      1.1402      1.0904
C                1.2217     -1.0231      0.3367
C                0.4849      0.6402     -1.3530
H                1.4908      2.2538     -0.2706
H                2.2596      0.5034      1.4642
H               -0.7510      0.6343      1.0030
H                0.2167     -1.4476      0.3036
H               -0.4936      0.1524     -1.2479
H               -0.2287      2.5065     -0.5340
H                1.0530     -0.3878      2.3811
H                0.1889      1.8996      1.8681
Br               2.5500     -2.4107      0.7672
H                0.6765      1.0201     -2.3489
O                2.3787     -0.7944     -1.7821
22
M79
O               -1.6005     -0.8355     -0.1021
C               -2.9127     -1.1995     -0.3717
H               -3.5878     -0.3533     -0.6060
H               -3.4251     -1.7236      0.4586
H               -3.0379     -1.8832     -1.2333
C                1.4977     -0.4357     -1.0279
C                0.5202      1.7558     -0.2790
C                1.2688      0.0655      1.4261
C                0.2077      1.1344      1.0951
C                1.2262     -1.0279      0.3411
C                0.4837      0.6344     -1.3482
H                1.4907      2.2488     -0.2671
H                2.2628      0.5011      1.4658
H               -0.7489      0.6278      1.0081
H                0.2235     -1.4566      0.3107
H               -0.4950      0.1464     -1.2400
H               -0.2291      2.5004     -0.5288
H                1.0594     -0.3916      2.3852
H                0.1906      1.8938      1.8729
Br               2.5613     -2.4098      0.7697
H                0.6729      1.0138     -2.3447
O                2.3722     -0.8048     -1.7838
22
M78
O               -1.6037     -0.8354     -0.1012
C               -2.9179     -1.1811     -0.3857
H               -3.5820     -0.3244     -0.6136
H               -3.4422     -1.7108      0.4336
H               -3.0442     -1.8517     -1.2575
C                1.4959     -0.4422     -1.0258
C                0.5202      1.7502     -0.2745
C                1.2726      0.0615      1.4297
C                0.2095      1.1287      1.0999
C                1.2306     -1.0326      0.3456
C                0.4822      0.6287     -1.3434
H                1.4904      2.2437     -0.2637
H                2.2659      0.4989      1.4672
H               -0.7468      0.6214      1.0135
H                0.2302     -1.4655      0.3181
H               -0.4965      0.1403     -1.2320
H               -0.2299      2.4944     -0.5234
H                1.0660     -0.3954      2.3895
H                0.1923      1.8880      1.8778
Br               2.5724     -2.4090      0.7721
H                0.6690      1.0076     -2.3405
O                2.3652     -0.8156     -1.7857
22
M77
O               -1.6072     -0.8351     -0.1003
C               -2.9225     -1.1629     -0.4000
H               -3.5763     -0.2965     -0.6206
H               -3.4587     -1.6987      0.4077
H               -3.0487     -1.8197     -1.2821
C                1.4940     -0.4486     -1.0236
C                0.5202      1.7447     -0.2700
C                1.2766      0.0578      1.4333
C                0.2115      1.1232      1.1048
C                1.2350     -1.0371      0.3503
C                0.4808      0.6230     -1.3384
H                1.4902      2.2388     -0.2603
H                2.2693      0.4969      1.4686
H               -0.7446      0.6152      1.0191
H                0.2368     -1.4742      0.3256
H               -0.4982      0.1344     -1.2237
H               -0.2305      2.4884     -0.5180
H                1.0728     -0.3989      2.3939
H                0.1943      1.8824      1.8827
Br               2.5834     -2.4080      0.7746
H                0.6648      1.0014     -2.3361
O                2.3579     -0.8264     -1.7875
22
M76
O               -1.6109     -0.8347     -0.0992
C               -2.9270     -1.1451     -0.4145
H               -3.5707     -0.2690     -0.6273
H               -3.4747     -1.6879      0.3806
H               -3.0525     -1.7873     -1.3076
C                1.4917     -0.4550     -1.0214
C                0.5200      1.7394     -0.2653
C                1.2806      0.0542      1.4371
C                0.2134      1.1178      1.1100
C                1.2392     -1.0415      0.3550
C                0.4789      0.6173     -1.3332
H                1.4897      2.2340     -0.2570
H                2.2725      0.4951      1.4699
H               -0.7425      0.6093      1.0250
H                0.2433     -1.4827      0.3336
H               -0.5001      0.1284     -1.2151
H               -0.2316      2.4826     -0.5124
H                1.0798     -0.4021      2.3984
H                0.1962      1.8771      1.8879
Br               2.5940     -2.4071      0.7771
H                0.6602      0.9952     -2.3317
O                2.3499     -0.8374     -1.7893
22
M75
O               -1.6148     -0.8342     -0.0982
C               -2.9309     -1.1276     -0.4294
H               -3.5654     -0.2428     -0.6336
H               -3.4903     -1.6779      0.3525
H               -3.0544     -1.7545     -1.3335
C                1.4893     -0.4615     -1.0191
C                0.5197      1.7340     -0.2606
C                1.2848      0.0509      1.4408
C                0.2155      1.1126      1.1151
C                1.2435     -1.0458      0.3599
C                0.4770      0.6117     -1.3279
H                1.4892      2.2293     -0.2537
H                2.2761      0.4934      1.4711
H               -0.7403      0.6035      1.0311
H                0.2497     -1.4910      0.3416
H               -0.5024      0.1226     -1.2062
H               -0.2326      2.4767     -0.5068
H                1.0870     -0.4050      2.4029
H                0.1984      1.8720      1.8929
Br               2.6045     -2.4061      0.7794
H                0.6555      0.9889     -2.3272
O                2.3416     -0.8487     -1.7912
22
M74
O               -1.6191     -0.8339     -0.0970
C               -2.9347     -1.1104     -0.4446
H               -3.5601     -0.2169     -0.6395
H               -3.5051     -1.6692      0.3233
H               -3.0557     -1.7212     -1.3602
C                1.4865     -0.4680     -1.0167
C                0.5192      1.7287     -0.2558
C                1.2891      0.0477      1.4446
C                0.2174      1.1074      1.1205
C                1.2476     -1.0500      0.3649
C                0.4748      0.6060     -1.3225
H                1.4882      2.2248     -0.2504
H                2.2795      0.4921      1.4720
H               -0.7381      0.5977      1.0377
H                0.2560     -1.4992      0.3500
H               -0.5046      0.1166     -1.1972
H               -0.2341      2.4708     -0.5010
H                1.0947     -0.4077      2.4077
H                0.2005      1.8669      1.8982
Br               2.6146     -2.4053      0.7819
H                0.6503      0.9826     -2.3225
O                2.3327     -0.8603     -1.7930
22
M73
O               -1.6234     -0.8335     -0.0961
C               -2.9381     -1.0934     -0.4602
H               -3.5548     -0.1920     -0.6453
H               -3.5198     -1.6605      0.2930
H               -3.0553     -1.6876     -1.3868
C                1.4834     -0.4745     -1.0143
C                0.5185      1.7236     -0.2510
C                1.2935      0.0448      1.4483
C                0.2195      1.1025      1.1259
C                1.2516     -1.0540      0.3701
C                0.4723      0.6005     -1.3169
H                1.4871      2.2204     -0.2474
H                2.2832      0.4910      1.4727
H               -0.7359      0.5922      1.0445
H                0.2622     -1.5071      0.3589
H               -0.5073      0.1107     -1.1878
H               -0.2359      2.4650     -0.4951
H                1.1027     -0.4100      2.4125
H                0.2029      1.8621      1.9036
Br               2.6246     -2.4044      0.7843
H                0.6448      0.9763     -2.3179
O                2.3232     -0.8719     -1.7947
22
M72
O               -1.6279     -0.8330     -0.0949
C               -2.9409     -1.0769     -0.4761
H               -3.5498     -0.1679     -0.6511
H               -3.5335     -1.6531      0.2616
H               -3.0537     -1.6540     -1.4143
C                1.4801     -0.4809     -1.0117
C                0.5176      1.7185     -0.2462
C                1.2982      0.0421      1.4521
C                0.2217      1.0978      1.1316
C                1.2557     -1.0578      0.3753
C                0.4697      0.5949     -1.3113
H                1.4858      2.2164     -0.2443
H                2.2871      0.4903      1.4729
H               -0.7335      0.5869      1.0517
H                0.2683     -1.5147      0.3678
H               -0.5102      0.1049     -1.1782
H               -0.2378      2.4591     -0.4891
H                1.1114     -0.4119      2.4174
H                0.2055      1.8576      1.9089
Br               2.6344     -2.4035      0.7866
H                0.6388      0.9699     -2.3130
O                2.3133     -0.8837     -1.7966
22
M71
O               -1.6326     -0.8326     -0.0939
C               -2.9435     -1.0608     -0.4922
H               -3.5448     -0.1450     -0.6571
H               -3.5470     -1.6460      0.2294
H               -3.0506     -1.6205     -1.4415
C                1.4766     -0.4875     -1.0090
C                0.5164      1.7135     -0.2412
C                1.3031      0.0397      1.4560
C                0.2240      1.0931      1.1374
C                1.2596     -1.0615      0.3807
C                0.4667      0.5893     -1.3054
H                1.4840      2.2125     -0.2414
H                2.2912      0.4898      1.4731
H               -0.7311      0.5816      1.0593
H                0.2744     -1.5220      0.3773
H               -0.5132      0.0989     -1.1683
H               -0.2404      2.4531     -0.4829
H                1.1204     -0.4135      2.4225
H                0.2082      1.8532      1.9145
Br               2.6438     -2.4028      0.7890
H                0.6326      0.9634     -2.3080
O                2.3029     -0.8957     -1.7983
22
M70
O               -1.6375     -0.8323     -0.0929
C               -2.9457     -1.0451     -0.5086
H               -3.5401     -0.1228     -0.6629
H               -3.5597     -1.6397      0.1962
H               -3.0466     -1.5869     -1.4689
C                1.4727     -0.4939     -1.0063
C                0.5148      1.7086     -0.2362
C                1.3084      0.0376      1.4598
C                0.2263      1.0887      1.1433
C                1.2636     -1.0650      0.3863
C                0.4635      0.5837     -1.2994
H                1.4817      2.2090     -0.2387
H                2.2955      0.4898      1.4726
H               -0.7285      0.5764      1.0674
H                0.2802     -1.5290      0.3871
H               -0.5166      0.0928     -1.1582
H               -0.2435      2.4469     -0.4766
H                1.1301     -0.4145      2.4276
H                0.2110      1.8490      1.9202
Br               2.6529     -2.4021      0.7913
H                0.6259      0.9569     -2.3028
O                2.2919     -0.9078     -1.8000
22
M69
O               -1.6425     -0.8323     -0.0922
C               -2.9475     -1.0298     -0.5253
H               -3.5353     -0.1016     -0.6690
H               -3.5721     -1.6336      0.1622
H               -3.0413     -1.5535     -1.4962
C                1.4686     -0.5004     -1.0034
C                0.5128      1.7037     -0.2312
C                1.3139      0.0358      1.4635
C                0.2286      1.0843      1.1495
C                1.2674     -1.0684      0.3920
C                0.4600      0.5781     -1.2933
H                1.4789      2.2058     -0.2361
H                2.3000      0.4903      1.4716
H               -0.7259      0.5712      1.0760
H                0.2861     -1.5357      0.3973
H               -0.5202      0.0865     -1.1477
H               -0.2474      2.4407     -0.4700
H                1.1407     -0.4151      2.4328
H                0.2140      1.8451      1.9259
Br               2.6616     -2.4016      0.7936
H                0.6187      0.9504     -2.2977
O                2.2804     -0.9202     -1.8016
22
M68
O               -1.6474     -0.8324     -0.0917
C               -2.9489     -1.0149     -0.5424
H               -3.5303     -0.0811     -0.6757
H               -3.5838     -1.6276      0.1278
H               -3.0351     -1.5208     -1.5235
C                1.4643     -0.5068     -1.0005
C                0.5104      1.6989     -0.2261
C                1.3199      0.0345      1.4671
C                0.2312      1.0801      1.1557
C                1.2713     -1.0715      0.3978
C                0.4562      0.5726     -1.2871
H                1.4754      2.2032     -0.2338
H                2.3050      0.4912      1.4701
H               -0.7230      0.5660      1.0850
H                0.2918     -1.5420      0.4078
H               -0.5240      0.0801     -1.1372
H               -0.2520      2.4341     -0.4634
H                1.1521     -0.4151      2.4380
H                0.2172      1.8413      1.9317
Br               2.6700     -2.4011      0.7958
H                0.6113      0.9438     -2.2923
O                2.2684     -0.9326     -1.8033
22
M67
O               -1.6524     -0.8329     -0.0917
C               -2.9499     -1.0004     -0.5596
H               -3.5254     -0.0615     -0.6827
H               -3.5949     -1.6215      0.0928
H               -3.0279     -1.4884     -1.5503
C                1.4597     -0.5132     -0.9975
C                0.5075      1.6942     -0.2210
C                1.3263      0.0336      1.4706
C                0.2339      1.0760      1.1622
C                1.2753     -1.0744      0.4038
C                0.4521      0.5670     -1.2807
H                1.4711      2.2011     -0.2318
H                2.3102      0.4927      1.4677
H               -0.7199      0.5607      1.0945
H                0.2976     -1.5479      0.4188
H               -0.5280      0.0735     -1.1264
H               -0.2576      2.4272     -0.4566
H                1.1647     -0.4144      2.4433
H                0.2205      1.8378      1.9377
Br               2.6781     -2.4009      0.7979
H                0.6034      0.9372     -2.2870
O                2.2560     -0.9452     -1.8048
22
M66
O               -1.6574     -0.8336     -0.0920
C               -2.9506     -0.9865     -0.5770
H               -3.5204     -0.0427     -0.6901
H               -3.6054     -1.6157      0.0576
H               -3.0201     -1.4571     -1.5768
C                1.4548     -0.5196     -0.9944
C                0.5039      1.6896     -0.2158
C                1.3333      0.0331      1.4741
C                0.2366      1.0721      1.1688
C                1.2793     -1.0771      0.4099
C                0.4478      0.5614     -1.2741
H                1.4658      2.1995     -0.2299
H                2.3159      0.4949      1.4647
H               -0.7165      0.5552      1.1046
H                0.3032     -1.5533      0.4302
H               -0.5323      0.0666     -1.1155
H               -0.2642      2.4199     -0.4495
H                1.1783     -0.4131      2.4487
H                0.2239      1.8344      1.9437
Br               2.6858     -2.4009      0.8000
H                0.5952      0.9305     -2.2814
O                2.2429     -0.9579     -1.8063
22
M65
O               -1.6623     -0.8347     -0.0929
C               -2.9509     -0.9730     -0.5946
H               -3.5151     -0.0248     -0.6983
H               -3.6154     -1.6094      0.0226
H               -3.0116     -1.4267     -1.6026
C                1.4497     -0.5259     -0.9912
C                0.4996      1.6850     -0.2107
C                1.3408      0.0331      1.4772
C                0.2395      1.0681      1.1757
C                1.2833     -1.0795      0.4162
C                0.4432      0.5558     -1.2676
H                1.4595      2.1987     -0.2283
H                2.3219      0.4979      1.4605
H               -0.7129      0.5496      1.1154
H                0.3089     -1.5582      0.4420
H               -0.5368      0.0594     -1.1046
H               -0.2722      2.4121     -0.4423
H                1.1935     -0.4109      2.4540
H                0.2274      1.8312      1.9499
Br               2.6931     -2.4012      0.8020
H                0.5866      0.9239     -2.2757
O                2.2295     -0.9708     -1.8077
22
M64
O               -1.6669     -0.8360     -0.0945
C               -2.9508     -0.9600     -0.6121
H               -3.5095     -0.0077     -0.7068
H               -3.6245     -1.6032     -0.0122
H               -3.0027     -1.3974     -1.6279
C                1.4446     -0.5321     -0.9878
C                0.4945      1.6804     -0.2053
C                1.3490      0.0336      1.4802
C                0.2426      1.0644      1.1827
C                1.2875     -1.0816      0.4225
C                0.4384      0.5501     -1.2608
H                1.4517      2.1988     -0.2269
H                2.3285      0.5016      1.4553
H               -0.7089      0.5436      1.1269
H                0.3146     -1.5625      0.4544
H               -0.5414      0.0520     -1.0937
H               -0.2817      2.4035     -0.4346
H                1.2100     -0.4080      2.4594
H                0.2311      1.8282      1.9562
Br               2.7000     -2.4016      0.8040
H                0.5778      0.9173     -2.2699
O                2.2156     -0.9837     -1.8089
22
M63
O               -1.6712     -0.8377     -0.0969
C               -2.9503     -0.9477     -0.6298
H               -3.5037      0.0086     -0.7161
H               -3.6329     -1.5964     -0.0463
H               -2.9936     -1.3699     -1.6523
C                1.4392     -0.5383     -0.9844
C                0.4884      1.6758     -0.2000
C                1.3580      0.0347      1.4828
C                0.2457      1.0605      1.1899
C                1.2918     -1.0834      0.4290
C                0.4334      0.5445     -1.2542
H                1.4426      2.1998     -0.2259
H                2.3355      0.5061      1.4489
H               -0.7045      0.5374      1.1392
H                0.3203     -1.5661      0.4670
H               -0.5462      0.0441     -1.0828
H               -0.2930      2.3943     -0.4268
H                1.2282     -0.4040      2.4644
H                0.2349      1.8252      1.9626
Br               2.7064     -2.4024      0.8058
H                0.5689      0.9108     -2.2641
O                2.2013     -0.9968     -1.8101
22
M62
O               -1.6749     -0.8393     -0.1002
C               -2.9491     -0.9358     -0.6473
H               -3.4975      0.0242     -0.7258
H               -3.6401     -1.5894     -0.0792
H               -2.9843     -1.3437     -1.6759
C                1.4338     -0.5442     -0.9811
C                0.4812      1.6713     -0.1948
C                1.3677      0.0365      1.4851
C                0.2491      1.0569      1.1974
C                1.2962     -1.0848      0.4354
C                0.4283      0.5389     -1.2475
H                1.4315      2.2019     -0.2252
H                2.3430      0.5116      1.4411
H               -0.6998      0.5308      1.1522
H                0.3259     -1.5691      0.4802
H               -0.5512      0.0359     -1.0723
H               -0.3061      2.3840     -0.4187
H                1.2480     -0.3992      2.4694
H                0.2391      1.8226      1.9690
Br               2.7124     -2.4034      0.8074
H                0.5597      0.9044     -2.2582
O                2.1868     -1.0099     -1.8111
22
M61
O               -1.6777     -0.8409     -0.1047
C               -2.9475     -0.9245     -0.6645
H               -3.4908      0.0388     -0.7361
H               -3.6461     -1.5820     -0.1107
H               -2.9750     -1.3196     -1.6983
C                1.4282     -0.5501     -0.9777
C                0.4727      1.6666     -0.1896
C                1.3780      0.0388      1.4870
C                0.2527      1.0534      1.2050
C                1.3006     -1.0860      0.4419
C                0.4229      0.5331     -1.2409
H                1.4183      2.2054     -0.2251
H                2.3509      0.5177      1.4320
H               -0.6945      0.5241      1.1665
H                0.3315     -1.5714      0.4937
H               -0.5564      0.0269     -1.0620
H               -0.3218      2.3725     -0.4102
H                1.2694     -0.3934      2.4741
H                0.2437      1.8203      1.9754
Br               2.7179     -2.4045      0.8088
H                0.5506      0.8981     -2.2522
O                2.1721     -1.0229     -1.8119
22
M60
O               -1.6794     -0.8420     -0.1106
C               -2.9450     -0.9137     -0.6814
H               -3.4838      0.0526     -0.7465
H               -3.6503     -1.5744     -0.1400
H               -2.9659     -1.2973     -1.7196
C                1.4225     -0.5558     -0.9743
C                0.4627      1.6617     -0.1845
C                1.3889      0.0415      1.4885
C                0.2566      1.0501      1.2129
C                1.3050     -1.0869      0.4482
C                0.4172      0.5271     -1.2345
H                1.4026      2.2098     -0.2260
H                2.3591      0.5242      1.4219
H               -0.6888      0.5176      1.1822
H                0.3370     -1.5731      0.5072
H               -0.5618      0.0172     -1.0521
H               -0.3401      2.3592     -0.4015
H                1.2919     -0.3871      2.4784
H                0.2495      1.8186      1.9816
Br               2.7229     -2.4059      0.8100
H                0.5408      0.8915     -2.2466
O                2.1575     -1.0357     -1.8125
22
M59
O               -1.6791     -0.8420     -0.1184
C               -2.9415     -0.9034     -0.6978
H               -3.4760      0.0656     -0.7570
H               -3.6517     -1.5664     -0.1665
H               -2.9571     -1.2773     -1.7395
C                1.4168     -0.5610     -0.9715
C                0.4511      1.6563     -0.1801
C                1.4000      0.0444      1.4897
C                0.2614      1.0475      1.2208
C                1.3094     -1.0873      0.4541
C                0.4110      0.5206     -1.2288
H                1.3842      2.2157     -0.2285
H                2.3678      0.5304      1.4118
H               -0.6825      0.5122      1.2001
H                0.3425     -1.5742      0.5204
H               -0.5680      0.0061     -1.0419
H               -0.3612      2.3441     -0.3927
H                1.3143     -0.3806      2.4822
H                0.2574      1.8185      1.9872
Br               2.7274     -2.4071      0.8106
H                0.5306      0.8849     -2.2413
O                2.1432     -1.0478     -1.8134
22
M58
O               -1.6763     -0.8402     -0.1285
C               -2.9365     -0.8934     -0.7131
H               -3.4678      0.0776     -0.7669
H               -3.6498     -1.5584     -0.1888
H               -2.9492     -1.2596     -1.7575
C                1.4111     -0.5657     -0.9694
C                0.4383      1.6502     -0.1765
C                1.4108      0.0474      1.4911
C                0.2670      1.0465      1.2291
C                1.3138     -1.0870      0.4593
C                0.4038      0.5132     -1.2235
H                1.3635      2.2217     -0.2335
H                2.3765      0.5357      1.4037
H               -0.6758      0.5097      1.2211
H                0.3478     -1.5743      0.5324
H               -0.5749     -0.0068     -1.0319
H               -0.3846      2.3268     -0.3843
H                1.3347     -0.3749      2.4857
H                0.2691      1.8212      1.9916
Br               2.7313     -2.4080      0.8108
H                0.5177      0.8772     -2.2367
O                2.1298     -1.0585     -1.8147
22
M57
O               -1.6701     -0.8358     -0.1415
C               -2.9300     -0.8840     -0.7271
H               -3.4593      0.0879     -0.7757
H               -3.6425     -1.5508     -0.2051
H               -2.9421     -1.2453     -1.7729
C                1.4060     -0.5693     -0.9693
C                0.4249      1.6431     -0.1746
C                1.4197      0.0500      1.4928
C                0.2733      1.0477      1.2371
C                1.3183     -1.0857      0.4628
C                0.3952      0.5038     -1.2189
H                1.3422      2.2265     -0.2413
H                2.3843      0.5395      1.3995
H               -0.6695      0.5119      1.2453
H                0.3538     -1.5743      0.5422
H               -0.5841     -0.0234     -1.0181
H               -0.4079      2.3091     -0.3773
H                1.3497     -0.3713      2.4882
H                0.2848      1.8278      1.9941
Br               2.7347     -2.4085      0.8098
H                0.5009      0.8680     -2.2332
O                2.1184     -1.0674     -1.8174
22
M56
O               -1.6607     -0.8288     -0.1569
C               -2.9215     -0.8756     -0.7384
H               -3.4511      0.0963     -0.7825
H               -3.6306     -1.5441     -0.2146
H               -2.9371     -1.2346     -1.7847
C                1.4028     -0.5715     -0.9710
C                0.4132      1.6360     -0.1736
C                1.4261      0.0524      1.4944
C                0.2795      1.0515      1.2445
C                1.3235     -1.0830      0.4639
C                0.3847      0.4929     -1.2132
H                1.3242      2.2280     -0.2519
H                2.3902      0.5423      1.3993
H               -0.6643      0.5194      1.2698
H                0.3604     -1.5727      0.5464
H               -0.5945     -0.0423     -1.0002
H               -0.4276      2.2931     -0.3726
H                1.3588     -0.3700      2.4897
H                0.3033      1.8376      1.9952
Br               2.7378     -2.4083      0.8081
H                0.4721      0.8549     -2.2299
O                2.1102     -1.0743     -1.8210
22
M55
O               -1.6565     -0.8257     -0.1623
C               -2.9193     -0.8731     -0.7421
H               -3.4489      0.0983     -0.7840
H               -3.6241     -1.5423     -0.2149
H               -2.9360     -1.2325     -1.7877
C                1.4022     -0.5701     -0.9733
C                0.4107      1.6345     -0.1742
C                1.4273      0.0532      1.4941
C                0.2812      1.0533      1.2457
C                1.3250     -1.0815      0.4632
C                0.3817      0.4891     -1.2112
H                1.3200      2.2289     -0.2544
H                2.3913      0.5432      1.3987
H               -0.6631      0.5229      1.2767
H                0.3633     -1.5734      0.5470
H               -0.5990     -0.0511     -0.9879
H               -0.4318      2.2897     -0.3726
H                1.3605     -0.3694      2.4894
H                0.3091      1.8409      1.9945
Br               2.7388     -2.4079      0.8069
H                0.4586      0.8495     -2.2294
O                2.1090     -1.0760     -1.8226
22
M54
O               -1.6524     -0.8228     -0.1677
C               -2.9171     -0.8706     -0.7457
H               -3.4466      0.1003     -0.7854
H               -3.6176     -1.5407     -0.2151
H               -2.9349     -1.2305     -1.7906
C                1.4016     -0.5688     -0.9756
C                0.4082      1.6328     -0.1747
C                1.4284      0.0538      1.4939
C                0.2830      1.0550      1.2469
C                1.3265     -1.0801      0.4625
C                0.3787      0.4853     -1.2092
H                1.3158      2.2297     -0.2569
H                2.3923      0.5439      1.3983
H               -0.6619      0.5263      1.2837
H                0.3662     -1.5741      0.5477
H               -0.6036     -0.0599     -0.9755
H               -0.4360      2.2861     -0.3724
H                1.3622     -0.3689      2.4892
H                0.3149      1.8442      1.9940
Br               2.7398     -2.4076      0.8059
H                0.4452      0.8440     -2.2287
O                2.1077     -1.0778     -1.8240
22
M53
O               -1.6482     -0.8197     -0.1731
C               -2.9148     -0.8680     -0.7493
H               -3.4444      0.1024     -0.7869
H               -3.6110     -1.5390     -0.2155
H               -2.9338     -1.2284     -1.7936
C                1.4010     -0.5674     -0.9780
C                0.4056      1.6312     -0.1753
C                1.4296      0.0545      1.4936
C                0.2847      1.0567      1.2480
C                1.3280     -1.0786      0.4617
C                0.3757      0.4815     -1.2073
H                1.3116      2.2306     -0.2594
H                2.3934      0.5448      1.3977
H               -0.6607      0.5299      1.2906
H                0.3691     -1.5748      0.5483
H               -0.6081     -0.0687     -0.9632
H               -0.4403      2.2826     -0.3723
H                1.3639     -0.3682      2.4889
H                0.3208      1.8475      1.9933
Br               2.7407     -2.4072      0.8047
H                0.4317      0.8387     -2.2282
O                2.1064     -1.0795     -1.8255
22
M52
O               -1.6465     -0.8185     -0.1751
C               -2.9147     -0.8670     -0.7510
H               -3.4433      0.1033     -0.7873
H               -3.6072     -1.5385     -0.2147
H               -2.9330     -1.2278     -1.7945
C                1.4005     -0.5658     -0.9796
C                0.4052      1.6311     -0.1760
C                1.4299      0.0549      1.4931
C                0.2853      1.0575      1.2477
C                1.3283     -1.0778      0.4610
C                0.3760      0.4808     -1.2073
H                1.3107      2.2317     -0.2595
H                2.3936      0.5453      1.3969
H               -0.6602      0.5314      1.2927
H                0.3710     -1.5757      0.5488
H               -0.6181     -0.0783     -0.9519
H               -0.4409      2.2824     -0.3727
H                1.3644     -0.3677      2.4885
H                0.3223      1.8486      1.9927
Br               2.7411     -2.4068      0.8039
H                0.4285      0.8377     -2.2285
O                2.1064     -1.0799     -1.8264
22
M51
O               -1.6447     -0.8173     -0.1771
C               -2.9144     -0.8661     -0.7528
H               -3.4420      0.1042     -0.7879
H               -3.6034     -1.5380     -0.2139
H               -2.9322     -1.2272     -1.7956
C                1.4002     -0.5643     -0.9813
C                0.4048      1.6309     -0.1769
C                1.4303      0.0553      1.4924
C                0.2859      1.0583      1.2473
C                1.3288     -1.0770      0.4602
C                0.3764      0.4801     -1.2075
H                1.3098      2.2327     -0.2597
H                2.3940      0.5458      1.3961
H               -0.6596      0.5330      1.2948
H                0.3729     -1.5767      0.5493
H               -0.6279     -0.0879     -0.9407
H               -0.4415      2.2823     -0.3731
H                1.3649     -0.3672      2.4879
H                0.3239      1.8496      1.9920
Br               2.7416     -2.4064      0.8030
H                0.4254      0.8367     -2.2289
O                2.1065     -1.0802     -1.8273
22
M50
O               -1.6429     -0.8161     -0.1792
C               -2.9142     -0.8651     -0.7546
H               -3.4408      0.1051     -0.7885
H               -3.5995     -1.5376     -0.2132
H               -2.9314     -1.2266     -1.7966
C                1.3999     -0.5627     -0.9830
C                0.4044      1.6308     -0.1777
C                1.4307      0.0557      1.4917
C                0.2866      1.0590      1.2468
C                1.3292     -1.0763      0.4594
C                0.3768      0.4794     -1.2077
H                1.3089      2.2338     -0.2599
H                2.3943      0.5463      1.3953
H               -0.6590      0.5345      1.2968
H                0.3749     -1.5776      0.5498
H               -0.6377     -0.0976     -0.9295
H               -0.4420      2.2821     -0.3736
H                1.3654     -0.3667      2.4874
H                0.3256      1.8506      1.9913
Br               2.7421     -2.4061      0.8021
H                0.4223      0.8356     -2.2293
O                2.1067     -1.0806     -1.8283
22
M49
O               -1.6412     -0.8149     -0.1811
C               -2.9139     -0.8641     -0.7563
H               -3.4396      0.1061     -0.7890
H               -3.5956     -1.5371     -0.2124
H               -2.9305     -1.2259     -1.7975
C                1.3996     -0.5612     -0.9847
C                0.4041      1.6307     -0.1785
C                1.4311      0.0560      1.4911
C                0.2873      1.0598      1.2465
C                1.3297     -1.0755      0.4587
C                0.3772      0.4787     -1.2078
H                1.3080      2.2348     -0.2600
H                2.3946      0.5468      1.3946
H               -0.6585      0.5360      1.2989
H                0.3768     -1.5786      0.5504
H               -0.6475     -0.1072     -0.9182
H               -0.4426      2.2820     -0.3740
H                1.3659     -0.3661      2.4869
H                0.3272      1.8517      1.9907
Br               2.7426     -2.4057      0.8013
H                0.4192      0.8346     -2.2296
O                2.1068     -1.0809     -1.8291
22
M48
O               -1.6394     -0.8136     -0.1832
C               -2.9136     -0.8631     -0.7581
H               -3.4383      0.1070     -0.7895
H               -3.5917     -1.5367     -0.2117
H               -2.9297     -1.2253     -1.7985
C                1.3993     -0.5596     -0.9864
C                0.4037      1.6305     -0.1793
C                1.4316      0.0564      1.4904
C                0.2879      1.0606      1.2461
C                1.3301     -1.0747      0.4579
C                0.3776      0.4780     -1.2080
H                1.3071      2.2359     -0.2602
H                2.3950      0.5473      1.3938
H               -0.6579      0.5376      1.3009
H                0.3787     -1.5795      0.5509
H               -0.6574     -0.1168     -0.9070
H               -0.4432      2.2818     -0.3744
H                1.3664     -0.3656      2.4864
H                0.3289      1.8527      1.9900
Br               2.7430     -2.4053      0.8004
H                0.4160      0.8336     -2.2300
O                2.1069     -1.0813     -1.8301
22
M47
O               -1.6377     -0.8124     -0.1853
C               -2.9135     -0.8621     -0.7599
H               -3.4372      0.1079     -0.7901
H               -3.5879     -1.5362     -0.2110
H               -2.9289     -1.2247     -1.7995
C                1.3989     -0.5580     -0.9881
C                0.4032      1.6304     -0.1801
C                1.4319      0.0568      1.4897
C                0.2885      1.0614      1.2456
C                1.3304     -1.0739      0.4571
C                0.3779      0.4773     -1.2081
H                1.3061      2.2370     -0.2604
H                2.3952      0.5478      1.3929
H               -0.6574      0.5391      1.3029
H                0.3806     -1.5805      0.5514
H               -0.6673     -0.1264     -0.8958
H               -0.4438      2.2817     -0.3749
H                1.3668     -0.3651      2.4858
H                0.3304      1.8537      1.9893
Br               2.7434     -2.4049      0.7995
H                0.4128      0.8326     -2.2304
O                2.1069     -1.0816     -1.8310
22
M46
O               -1.6296     -0.8073     -0.1939
C               -2.9130     -0.8546     -0.7748
H               -3.4202      0.1150     -0.7941
H               -3.5529     -1.5294     -0.2062
H               -2.9116     -1.2202     -1.8048
C                1.3967     -0.5425     -1.0020
C                0.4046      1.6331     -0.1887
C                1.4375      0.0614      1.4823
C                0.2954      1.0680      1.2389
C                1.3364     -1.0668      0.4501
C                0.4072      0.4878     -1.2203
H                1.3038      2.2524     -0.2565
H                2.3996      0.5537      1.3823
H               -0.6501      0.5509      1.3144
H                0.3994     -1.5882      0.5565
H               -0.8703     -0.2679     -0.7765
H               -0.4426      2.2887     -0.3779
H                1.3749     -0.3571      2.4807
H                0.3409      1.8605      1.9831
Br               2.7494     -2.3997      0.7914
H                0.4311      0.8452     -2.2425
O                2.1129     -1.0821     -1.8405
22
M45
O               -1.6374     -0.8145     -0.1885
C               -2.9174     -0.8540     -0.7815
H               -3.4156      0.1177     -0.7987
H               -3.5504     -1.5272     -0.2089
H               -2.9045     -1.2212     -1.8087
C                1.3955     -0.5374     -1.0080
C                0.4014      1.6330     -0.1899
C                1.4389      0.0618      1.4809
C                0.2969      1.0687      1.2389
C                1.3379     -1.0649      0.4487
C                0.4316      0.4981     -1.2274
H                1.2934      2.2650     -0.2483
H                2.3999      0.5551      1.3773
H               -0.6490      0.5543      1.3256
H                0.4058     -1.5936      0.5612
H               -0.9194     -0.3044     -0.7545
H               -0.4508      2.2835     -0.3773
H                1.3795     -0.3541      2.4807
H                0.3473      1.8632      1.9809
Br               2.7503     -2.3992      0.7895
H                0.4545      0.8581     -2.2487
O                2.1125     -1.0883     -1.8443
22
M44
O               -1.6487     -0.8256     -0.1794
C               -2.9245     -0.8553     -0.7876
H               -3.4134      0.1204     -0.8081
H               -3.5638     -1.5249     -0.2189
H               -2.9011     -1.2226     -1.8137
C                1.3990     -0.5350     -1.0125
C                0.3971      1.6339     -0.1881
C                1.4408      0.0619      1.4806
C                0.2978      1.0680      1.2409
C                1.3387     -1.0634      0.4478
C                0.4585      0.5112     -1.2331
H                1.2770      2.2838     -0.2376
H                2.4009      0.5563      1.3746
H               -0.6479      0.5548      1.3362
H                0.4097     -1.5957      0.5634
H               -0.9348     -0.3257     -0.7399
H               -0.4654      2.2712     -0.3757
H                1.3840     -0.3532      2.4810
H                0.3523      1.8647      1.9803
Br               2.7508     -2.3997      0.7887
H                0.4824      0.8745     -2.2522
O                2.1100     -1.0992     -1.8476
22
M43
O               -1.6592     -0.8367     -0.1712
C               -2.9312     -0.8566     -0.7941
H               -3.4099      0.1230     -0.8193
H               -3.5789     -1.5206     -0.2302
H               -2.8976     -1.2251     -1.8187
C                1.4055     -0.5335     -1.0154
C                0.3932      1.6367     -0.1849
C                1.4441      0.0625      1.4800
C                0.2991      1.0668      1.2433
C                1.3414     -1.0616      0.4466
C                0.4847      0.5237     -1.2355
H                1.2592      2.3062     -0.2268
H                2.4032      0.5583      1.3722
H               -0.6456      0.5523      1.3432
H                0.4132     -1.5957      0.5631
H               -0.9505     -0.3458     -0.7247
H               -0.4814      2.2575     -0.3730
H                1.3897     -0.3528      2.4804
H                0.3542      1.8636      1.9826
Br               2.7520     -2.4001      0.7882
H                0.5086      0.8900     -2.2534
O                2.1064     -1.1130     -1.8515
22
M42
O               -1.6701     -0.8473     -0.1649
C               -2.9377     -0.8576     -0.8014
H               -3.4061      0.1263     -0.8327
H               -3.5941     -1.5151     -0.2408
H               -2.8954     -1.2290     -1.8242
C                1.4118     -0.5323     -1.0178
C                0.3893      1.6401     -0.1809
C                1.4481      0.0640      1.4792
C                0.3000      1.0653      1.2460
C                1.3452     -1.0593      0.4455
C                0.5104      0.5361     -1.2358
H                1.2407      2.3284     -0.2157
H                2.4058      0.5620      1.3693
H               -0.6429      0.5477      1.3483
H                0.4182     -1.5947      0.5629
H               -0.9613     -0.3624     -0.7123
H               -0.4971      2.2440     -0.3700
H                1.3967     -0.3516      2.4797
H                0.3532      1.8609      1.9867
Br               2.7532     -2.4002      0.7877
H                0.5308      0.9036     -2.2525
O                2.1003     -1.1280     -1.8556
22
M41
O               -1.6805     -0.8571     -0.1609
C               -2.9438     -0.8584     -0.8098
H               -3.4014      0.1297     -0.8487
H               -3.6093     -1.5074     -0.2512
H               -2.8942     -1.2349     -1.8299
C                1.4172     -0.5318     -1.0194
C                0.3860      1.6433     -0.1760
C                1.4532      0.0662      1.4785
C                0.3008      1.0632      1.2492
C                1.3500     -1.0567      0.4450
C                0.5352      0.5482     -1.2346
H                1.2233      2.3493     -0.2039
H                2.4089      0.5673      1.3657
H               -0.6397      0.5410      1.3521
H                0.4235     -1.5931      0.5640
H               -0.9714     -0.3785     -0.7014
H               -0.5114      2.2306     -0.3669
H                1.4060     -0.3494      2.4792
H                0.3505      1.8570      1.9918
Br               2.7548     -2.4001      0.7872
H                0.5511      0.9164     -2.2508
O                2.0914     -1.1438     -1.8598
22
M40
O               -1.6905     -0.8660     -0.1593
C               -2.9496     -0.8589     -0.8193
H               -3.3960      0.1336     -0.8676
H               -3.6246     -1.4978     -0.2607
H               -2.8945     -1.2428     -1.8360
C                1.4205     -0.5321     -1.0202
C                0.3833      1.6460     -0.1703
C                1.4590      0.0689      1.4784
C                0.3013      1.0603      1.2529
C                1.3547     -1.0541      0.4458
C                0.5584      0.5598     -1.2322
H                1.2073      2.3676     -0.1912
H                2.4123      0.5737      1.3613
H               -0.6363      0.5327      1.3554
H                0.4289     -1.5912      0.5674
H               -0.9797     -0.3920     -0.6938
H               -0.5237      2.2182     -0.3631
H                1.4174     -0.3462      2.4795
H                0.3461      1.8522      1.9980
Br               2.7567     -2.3999      0.7871
H                0.5693      0.9281     -2.2479
O                2.0788     -1.1603     -1.8637
22
M39
O               -1.6998     -0.8736     -0.1605
C               -2.9549     -0.8589     -0.8303
H               -3.3896      0.1379     -0.8902
H               -3.6393     -1.4856     -0.2699
H               -2.8960     -1.2528     -1.8427
C                1.4214     -0.5331     -1.0201
C                0.3817      1.6485     -0.1640
C                1.4655      0.0719      1.4788
C                0.3022      1.0572      1.2572
C                1.3591     -1.0518      0.4476
C                0.5790      0.5706     -1.2289
H                1.1945      2.3830     -0.1784
H                2.4159      0.5806      1.3564
H               -0.6326      0.5238      1.3582
H                0.4340     -1.5895      0.5729
H               -0.9872     -0.4034     -0.6887
H               -0.5330      2.2078     -0.3587
H                1.4302     -0.3423      2.4806
H                0.3413      1.8470      2.0047
Br               2.7592     -2.3994      0.7870
H                0.5850      0.9387     -2.2441
O                2.0626     -1.1769     -1.8672
22
M38
O               -1.7082     -0.8795     -0.1640
C               -2.9595     -0.8582     -0.8426
H               -3.3820      0.1426     -0.9161
H               -3.6533     -1.4710     -0.2790
H               -2.8980     -1.2644     -1.8498
C                1.4197     -0.5350     -1.0190
C                0.3816      1.6508     -0.1571
C                1.4719      0.0746      1.4800
C                0.3035      1.0544      1.2620
C                1.3627     -1.0500      0.4507
C                0.5961      0.5801     -1.2244
H                1.1855      2.3952     -0.1657
H                2.4196      0.5868      1.3517
H               -0.6287      0.5157      1.3609
H                0.4386     -1.5886      0.5805
H               -0.9930     -0.4124     -0.6865
H               -0.5389      2.2003     -0.3534
H                1.4432     -0.3383      2.4825
H                0.3373      1.8419      2.0121
Br               2.7625     -2.3984      0.7871
H                0.5971      0.9475     -2.2395
O                2.0433     -1.1934     -1.8699
22
M37
O               -1.7160     -0.8836     -0.1692
C               -2.9631     -0.8569     -0.8564
H               -3.3737      0.1476     -0.9448
H               -3.6665     -1.4548     -0.2888
H               -2.8996     -1.2766     -1.8578
C                1.4155     -0.5378     -1.0170
C                0.3828      1.6529     -0.1500
C                1.4775      0.0765      1.4820
C                0.3051      1.0520      1.2672
C                1.3652     -1.0491      0.4545
C                0.6089      0.5877     -1.2191
H                1.1807      2.4037     -0.1539
H                2.4230      0.5913      1.3481
H               -0.6251      0.5092      1.3638
H                0.4423     -1.5889      0.5894
H               -0.9980     -0.4185     -0.6858
H               -0.5414      2.1959     -0.3474
H                1.4548     -0.3350      2.4852
H                0.3345      1.8374      2.0196
Br               2.7662     -2.3971      0.7873
H                0.6052      0.9540     -2.2342
O                2.0215     -1.2094     -1.8717
22
M36
O               -1.7233     -0.8858     -0.1749
C               -2.9656     -0.8549     -0.8713
H               -3.3647      0.1526     -0.9757
H               -3.6786     -1.4376     -0.3003
H               -2.8998     -1.2888     -1.8664
C                1.4094     -0.5414     -1.0143
C                0.3854      1.6548     -0.1430
C                1.4820      0.0775      1.4847
C                0.3072      1.0503      1.2726
C                1.3666     -1.0491      0.4590
C                0.6178      0.5934     -1.2133
H                1.1803      2.4089     -0.1433
H                2.4260      0.5938      1.3462
H               -0.6220      0.5049      1.3669
H                0.4453     -1.5905      0.5990
H               -1.0019     -0.4225     -0.6857
H               -0.5405      2.1948     -0.3411
H                1.4642     -0.3329      2.4885
H                0.3335      1.8338      2.0271
Br               2.7705     -2.3953      0.7876
H                0.6091      0.9581     -2.2287
O                1.9984     -1.2248     -1.8726
22
M35
O               -1.7304     -0.8859     -0.1803
C               -2.9671     -0.8522     -0.8872
H               -3.3556      0.1576     -1.0074
H               -3.6898     -1.4208     -0.3142
H               -2.8974     -1.2993     -1.8761
C                1.4020     -0.5454     -1.0112
C                0.3893      1.6567     -0.1361
C                1.4854      0.0777      1.4881
C                0.3094      1.0493      1.2780
C                1.3673     -1.0497      0.4637
C                0.6235      0.5973     -1.2073
H                1.1837      2.4112     -0.1338
H                2.4285      0.5946      1.3461
H               -0.6194      0.5027      1.3699
H                0.4478     -1.5931      0.6086
H               -1.0053     -0.4240     -0.6852
H               -0.5367      2.1965     -0.3347
H                1.4710     -0.3318      2.4923
H                0.3338      1.8310      2.0344
Br               2.7754     -2.3929      0.7878
H                0.6099      0.9603     -2.2231
O                1.9750     -1.2394     -1.8726
22
M34
O               -1.7377     -0.8841     -0.1847
C               -2.9676     -0.8489     -0.9036
H               -3.3468      0.1624     -1.0395
H               -3.6999     -1.4049     -0.3304
H               -2.8924     -1.3086     -1.8863
C                1.3939     -0.5498     -1.0076
C                0.3938      1.6583     -0.1294
C                1.4876      0.0770      1.4921
C                0.3116      1.0487      1.2835
C                1.3673     -1.0508      0.4688
C                0.6269      0.6000     -1.2012
H                1.1894      2.4115     -0.1252
H                2.4303      0.5939      1.3476
H               -0.6176      0.5021      1.3732
H                0.4499     -1.5968      0.6182
H               -1.0083     -0.4240     -0.6836
H               -0.5311      2.1998     -0.3283
H                1.4756     -0.3319      2.4965
H                0.3351      1.8289      2.0414
Br               2.7805     -2.3901      0.7880
H                0.6081      0.9608     -2.2174
O                1.9517     -1.2533     -1.8719
22
M33
O               -1.7454     -0.8804     -0.1880
C               -2.9675     -0.8455     -0.9205
H               -3.3386      0.1667     -1.0714
H               -3.7093     -1.3904     -0.3490
H               -2.8847     -1.3163     -1.8972
C                1.3855     -0.5544     -1.0039
C                0.3988      1.6596     -0.1230
C                1.4890      0.0758      1.4964
C                0.3138      1.0484      1.2888
C                1.3668     -1.0523      0.4739
C                0.6289      0.6016     -1.1950
H                1.1967      2.4104     -0.1172
H                2.4318      0.5923      1.3504
H               -0.6163      0.5026      1.3766
H                0.4517     -1.6012      0.6278
H               -1.0113     -0.4225     -0.6809
H               -0.5243      2.2042     -0.3222
H                1.4784     -0.3328      2.5010
H                0.3370      1.8274      2.0480
Br               2.7858     -2.3870      0.7882
H                0.6050      0.9603     -2.2117
O                1.9289     -1.2666     -1.8707
22
M32
O               -1.7537     -0.8749     -0.1902
C               -2.9669     -0.8419     -0.9376
H               -3.3313      0.1703     -1.1036
H               -3.7181     -1.3772     -0.3693
H               -2.8747     -1.3235     -1.9082
C                1.3770     -0.5591     -0.9999
C                0.4038      1.6608     -0.1168
C                1.4899      0.0743      1.5010
C                0.3158      1.0482      1.2941
C                1.3662     -1.0541      0.4790
C                0.6299      0.6026     -1.1890
H                1.2047      2.4085     -0.1098
H                2.4328      0.5900      1.3538
H               -0.6154      0.5038      1.3801
H                0.4534     -1.6060      0.6371
H               -1.0145     -0.4198     -0.6772
H               -0.5170      2.2090     -0.3162
H                1.4801     -0.3341      2.5057
H                0.3392      1.8261      2.0544
Br               2.7913     -2.3837      0.7885
H                0.6010      0.9592     -2.2062
O                1.9068     -1.2794     -1.8689
22
M31
O               -1.7626     -0.8678     -0.1915
C               -2.9659     -0.8384     -0.9551
H               -3.3247      0.1734     -1.1357
H               -3.7262     -1.3658     -0.3914
H               -2.8624     -1.3295     -1.9197
C                1.3685     -0.5638     -0.9960
C                0.4088      1.6618     -0.1108
C                1.4904      0.0727      1.5056
C                0.3177      1.0483      1.2993
C                1.3654     -1.0559      0.4841
C                0.6302      0.6031     -1.1831
H                1.2128      2.4061     -0.1029
H                2.4337      0.5875      1.3577
H               -0.6147      0.5055      1.3837
H                0.4552     -1.6109      0.6461
H               -1.0181     -0.4159     -0.6726
H               -0.5095      2.2139     -0.3104
H                1.4812     -0.3356      2.5103
H                0.3418      1.8252      2.0605
Br               2.7970     -2.3802      0.7886
H                0.5963      0.9575     -2.2008
O                1.8854     -1.2916     -1.8669
22
M30
O               -1.7720     -0.8589     -0.1920
C               -2.9648     -0.8351     -0.9725
H               -3.3195      0.1754     -1.1678
H               -3.7336     -1.3560     -0.4144
H               -2.8485     -1.3357     -1.9308
C                1.3602     -0.5684     -0.9918
C                0.4136      1.6626     -0.1049
C                1.4907      0.0711      1.5103
C                0.3196      1.0484      1.3046
C                1.3646     -1.0577      0.4893
C                0.6302      0.6033     -1.1771
H                1.2208      2.4034     -0.0964
H                2.4344      0.5849      1.3619
H               -0.6141      0.5076      1.3878
H                0.4569     -1.6160      0.6553
H               -1.0219     -0.4108     -0.6673
H               -0.5024      2.2186     -0.3047
H                1.4819     -0.3371      2.5152
H                0.3446      1.8246      2.0665
Br               2.8027     -2.3765      0.7889
H                0.5913      0.9555     -2.1953
O                1.8647     -1.3032     -1.8644
22
M29
O               -1.7820     -0.8488     -0.1919
C               -2.9633     -0.8322     -0.9901
H               -3.3143      0.1765     -1.2005
H               -3.7406     -1.3471     -0.4382
H               -2.8332     -1.3423     -1.9415
C                1.3521     -0.5729     -0.9876
C                0.4182      1.6632     -0.0992
C                1.4912      0.0695      1.5151
C                0.3217      1.0486      1.3098
C                1.3640     -1.0594      0.4944
C                0.6299      0.6032     -1.1713
H                1.2283      2.4008     -0.0903
H                2.4354      0.5823      1.3661
H               -0.6134      0.5098      1.3921
H                0.4588     -1.6209      0.6643
H               -1.0263     -0.4049     -0.6616
H               -0.4955      2.2229     -0.2990
H                1.4827     -0.3387      2.5199
H                0.3477      1.8242      2.0723
Br               2.8085     -2.3727      0.7892
H                0.5863      0.9534     -2.1898
O                1.8448     -1.3144     -1.8616
22
M28
O               -1.7928     -0.8372     -0.1913
C               -2.9618     -0.8299     -1.0077
H               -3.3101      0.1763     -1.2342
H               -3.7471     -1.3395     -0.4625
H               -2.8166     -1.3497     -1.9516
C                1.3441     -0.5774     -0.9833
C                0.4223      1.6638     -0.0937
C                1.4918      0.0681      1.5197
C                0.3237      1.0489      1.3150
C                1.3633     -1.0611      0.4995
C                0.6291      0.6029     -1.1655
H                1.2355      2.3981     -0.0847
H                2.4362      0.5799      1.3699
H               -0.6127      0.5121      1.3969
H                0.4606     -1.6257      0.6734
H               -1.0310     -0.3981     -0.6554
H               -0.4893      2.2269     -0.2934
H                1.4837     -0.3399      2.5246
H                0.3510      1.8241      2.0779
Br               2.8140     -2.3689      0.7893
H                0.5807      0.9512     -2.1845
O                1.8254     -1.3250     -1.8587
22
M27
O               -1.8038     -0.8246     -0.1905
C               -2.9599     -0.8281     -1.0253
H               -3.3060      0.1750     -1.2683
H               -3.7532     -1.3329     -0.4868
H               -2.7990     -1.3582     -1.9609
C                1.3362     -0.5814     -0.9789
C                0.4261      1.6642     -0.0881
C                1.4924      0.0669      1.5243
C                0.3257      1.0493      1.3203
C                1.3628     -1.0626      0.5047
C                0.6283      0.6026     -1.1597
H                1.2419      2.3956     -0.0792
H                2.4373      0.5779      1.3736
H               -0.6119      0.5146      1.4020
H                0.4626     -1.6301      0.6824
H               -1.0364     -0.3906     -0.6492
H               -0.4835      2.2306     -0.2876
H                1.4851     -0.3409      2.5294
H                0.3545      1.8242      2.0835
Br               2.8195     -2.3652      0.7896
H                0.5752      0.9488     -2.1790
O                1.8065     -1.3352     -1.8554
22
M26
O               -1.8154     -0.8108     -0.1895
C               -2.9580     -0.8273     -1.0428
H               -3.3017      0.1720     -1.3044
H               -3.7590     -1.3266     -0.5109
H               -2.7809     -1.3688     -1.9687
C                1.3283     -0.5853     -0.9746
C                0.4294      1.6648     -0.0828
C                1.4933      0.0661      1.5287
C                0.3279      1.0500      1.3255
C                1.3621     -1.0639      0.5098
C                0.6270      0.6023     -1.1540
H                1.2476      2.3934     -0.0743
H                2.4384      0.5761      1.3770
H               -0.6109      0.5172      1.4075
H                0.4644     -1.6341      0.6915
H               -1.0420     -0.3823     -0.6428
H               -0.4785      2.2339     -0.2819
H                1.4867     -0.3415      2.5339
H                0.3583      1.8246      2.0888
Br               2.8247     -2.3615      0.7896
H                0.5693      0.9467     -2.1737
O                1.7883     -1.3446     -1.8521
22
M25
O               -1.8272     -0.7962     -0.1886
C               -2.9557     -0.8271     -1.0603
H               -3.2978      0.1677     -1.3405
H               -3.7642     -1.3216     -0.5350
H               -2.7620     -1.3801     -1.9761
C                1.3206     -0.5891     -0.9702
C                0.4323      1.6651     -0.0775
C                1.4945      0.0654      1.5330
C                0.3303      1.0507      1.3309
C                1.3617     -1.0650      0.5149
C                0.6254      0.6018     -1.1484
H                1.2526      2.3914     -0.0698
H                2.4399      0.5746      1.3798
H               -0.6096      0.5198      1.4136
H                0.4663     -1.6378      0.7006
H               -1.0480     -0.3733     -0.6367
H               -0.4741      2.2368     -0.2759
H                1.4891     -0.3417      2.5384
H                0.3625      1.8254      2.0941
Br               2.8297     -2.3579      0.7897
H                0.5631      0.9443     -2.1684
O                1.7705     -1.3537     -1.8485
22
M24
O               -1.8395     -0.7809     -0.1873
C               -2.9530     -0.8280     -1.0773
H               -3.2933      0.1616     -1.3777
H               -3.7687     -1.3176     -0.5587
H               -2.7420     -1.3935     -1.9815
C                1.3130     -0.5922     -0.9658
C                0.4349      1.6659     -0.0724
C                1.4957      0.0652      1.5371
C                0.3325      1.0518      1.3361
C                1.3611     -1.0657      0.5198
C                0.6237      0.6017     -1.1429
H                1.2572      2.3899     -0.0656
H                2.4413      0.5736      1.3824
H               -0.6083      0.5227      1.4198
H                0.4679     -1.6408      0.7097
H               -1.0544     -0.3638     -0.6300
H               -0.4703      2.2397     -0.2702
H                1.4915     -0.3415      2.5427
H                0.3666      1.8264      2.0993
Br               2.8342     -2.3543      0.7896
H                0.5569      0.9425     -2.1631
O                1.7530     -1.3620     -1.8449
22
M23
O               -1.8517     -0.7650     -0.1862
C               -2.9502     -0.8300     -1.0939
H               -3.2889      0.1536     -1.4149
H               -3.7727     -1.3147     -0.5816
H               -2.7218     -1.4082     -1.9858
C                1.3053     -0.5953     -0.9614
C                0.4371      1.6666     -0.0672
C                1.4972      0.0652      1.5411
C                0.3349      1.0531      1.3414
C                1.3605     -1.0662      0.5248
C                0.6217      0.6016     -1.1374
H                1.2610      2.3888     -0.0615
H                2.4429      0.5728      1.3845
H               -0.6069      0.5257      1.4264
H                0.4694     -1.6434      0.7187
H               -1.0610     -0.3537     -0.6238
H               -0.4669      2.2425     -0.2641
H                1.4945     -0.3409      2.5469
H                0.3710      1.8278      2.1044
Br               2.8382     -2.3508      0.7896
H                0.5506      0.9406     -2.1578
O                1.7362     -1.3697     -1.8412
22
M22
O               -1.8643     -0.7483     -0.1852
C               -2.9470     -0.8334     -1.1102
H               -3.2844      0.1433     -1.4533
H               -3.7760     -1.3133     -0.6040
H               -2.7009     -1.4252     -1.9883
C                1.2977     -0.5978     -0.9571
C                0.4389      1.6677     -0.0624
C                1.4988      0.0657      1.5448
C                0.3374      1.0547      1.3465
C                1.3597     -1.0664      0.5296
C                0.6193      0.6018     -1.1322
H                1.2645      2.3878     -0.0580
H                2.4445      0.5724      1.3862
H               -0.6054      0.5290      1.4331
H                0.4707     -1.6454      0.7276
H               -1.0680     -0.3429     -0.6180
H               -0.4642      2.2452     -0.2584
H                1.4978     -0.3399      2.5508
H                0.3756      1.8295      2.1093
Br               2.8417     -2.3475      0.7893
H                0.5443      0.9394     -2.1528
O                1.7196     -1.3767     -1.8376
22
M21
O               -1.8770     -0.7312     -0.1844
C               -2.9433     -0.8380     -1.1262
H               -3.2795      0.1307     -1.4921
H               -3.7786     -1.3132     -0.6257
H               -2.6792     -1.4438     -1.9894
C                1.2901     -0.5999     -0.9530
C                0.4404      1.6690     -0.0575
C                1.5005      0.0665      1.5483
C                0.3399      1.0566      1.3517
C                1.3588     -1.0662      0.5342
C                0.6168      0.6023     -1.1269
H                1.2674      2.3876     -0.0546
H                2.4463      0.5724      1.3874
H               -0.6037      0.5326      1.4400
H                0.4716     -1.6468      0.7363
H               -1.0753     -0.3315     -0.6121
H               -0.4618      2.2482     -0.2523
H                1.5014     -0.3384      2.5546
H                0.3803      1.8317      2.1141
Br               2.8445     -2.3442      0.7888
H                0.5376      0.9382     -2.1476
O                1.7033     -1.3831     -1.8339
22
M20
O               -1.8899     -0.7132     -0.1837
C               -2.9391     -0.8444     -1.1416
H               -3.2744      0.1152     -1.5317
H               -3.7803     -1.3149     -0.6466
H               -2.6564     -1.4647     -1.9881
C                1.2823     -0.6013     -0.9489
C                0.4416      1.6708     -0.0528
C                1.5021      0.0678      1.5516
C                0.3423      1.0591      1.3568
C                1.3574     -1.0655      0.5386
C                0.6140      0.6033     -1.1219
H                1.2699      2.3877     -0.0515
H                2.4480      0.5727      1.3883
H               -0.6020      0.5367      1.4472
H                0.4720     -1.6474      0.7449
H               -1.0829     -0.3193     -0.6066
H               -0.4601      2.2513     -0.2464
H                1.5049     -0.3364      2.5582
H                0.3851      1.8344      2.1188
Br               2.8465     -2.3410      0.7883
H                0.5311      0.9381     -2.1427
O                1.6872     -1.3886     -1.8303
22
M19
O               -1.9013     -0.6968     -0.1833
C               -2.9349     -0.8516     -1.1548
H               -3.2695      0.0988     -1.5673
H               -3.7810     -1.3180     -0.6644
H               -2.6356     -1.4853     -1.9856
C                1.2754     -0.6023     -0.9454
C                0.4425      1.6727     -0.0487
C                1.5036      0.0692      1.5543
C                0.3445      1.0616      1.3612
C                1.3561     -1.0646      0.5424
C                0.6114      0.6047     -1.1175
H                1.2719      2.3885     -0.0489
H                2.4495      0.5733      1.3887
H               -0.6005      0.5406      1.4535
H                0.4721     -1.6473      0.7522
H               -1.0901     -0.3078     -0.6019
H               -0.4585      2.2545     -0.2410
H                1.5083     -0.3344      2.5612
H                0.3895      1.8371      2.1229
Br               2.8477     -2.3383      0.7876
H                0.5250      0.9381     -2.1384
O                1.6730     -1.3930     -1.8273
22
M18
O               -1.9132     -0.6791     -0.1830
C               -2.9297     -0.8608     -1.1677
H               -3.2645      0.0787     -1.6045
H               -3.7804     -1.3239     -0.6818
H               -2.6122     -1.5085     -1.9807
C                1.2680     -0.6025     -0.9420
C                0.4433      1.6753     -0.0445
C                1.5050      0.0711      1.5569
C                0.3467      1.0648      1.3657
C                1.3543     -1.0631      0.5461
C                0.6086      0.6067     -1.1132
H                1.2738      2.3897     -0.0463
H                2.4510      0.5741      1.3889
H               -0.5989      0.5453      1.4601
H                0.4715     -1.6465      0.7596
H               -1.0974     -0.2951     -0.5974
H               -0.4572      2.2583     -0.2356
H                1.5116     -0.3319      2.5640
H                0.3941      1.8404      2.1271
Br               2.8481     -2.3354      0.7866
H                0.5192      0.9393     -2.1341
O                1.6583     -1.3966     -1.8243
22
M17
O               -1.9242     -0.6625     -0.1829
C               -2.9244     -0.8710     -1.1793
H               -3.2593      0.0574     -1.6391
H               -3.7789     -1.3311     -0.6974
H               -2.5896     -1.5318     -1.9748
C                1.2611     -0.6023     -0.9389
C                0.4440      1.6783     -0.0407
C                1.5062      0.0732      1.5592
C                0.3488      1.0682      1.3697
C                1.3523     -1.0614      0.5493
C                0.6057      0.6090     -1.1092
H                1.2756      2.3914     -0.0440
H                2.4523      0.5752      1.3888
H               -0.5976      0.5501      1.4662
H                0.4705     -1.6451      0.7660
H               -1.1050     -0.2823     -0.5933
H               -0.4559      2.2625     -0.2305
H                1.5145     -0.3293      2.5664
H                0.3984      1.8440      2.1309
Br               2.8476     -2.3328      0.7856
H                0.5131      0.9406     -2.1300
O                1.6448     -1.3993     -1.8216
22
M16
O               -1.9334     -0.6483     -0.1830
C               -2.9195     -0.8807     -1.1881
H               -3.2552      0.0373     -1.6677
H               -3.7769     -1.3389     -0.7092
H               -2.5700     -1.5520     -1.9680
C                1.2552     -0.6016     -0.9367
C                0.4444      1.6810     -0.0377
C                1.5069      0.0752      1.5608
C                0.3503      1.0712      1.3729
C                1.3503     -1.0597      0.5516
C                0.6033      0.6114     -1.1062
H                1.2768      2.3931     -0.0422
H                2.4533      0.5762      1.3886
H               -0.5966      0.5543      1.4711
H                0.4691     -1.6434      0.7711
H               -1.1109     -0.2720     -0.5904
H               -0.4553      2.2660     -0.2265
H                1.5167     -0.3269      2.5683
H                0.4019      1.8470      2.1338
Br               2.8466     -2.3308      0.7846
H                0.5088      0.9426     -2.1270
O                1.6336     -1.4009     -1.8197
22
M15
O               -1.9421     -0.6347     -0.1833
C               -2.9143     -0.8911     -1.1962
H               -3.2510      0.0165     -1.6946
H               -3.7738     -1.3479     -0.7200
H               -2.5503     -1.5725     -1.9608
C                1.2496     -0.6006     -0.9346
C                0.4447      1.6839     -0.0350
C                1.5075      0.0772      1.5622
C                0.3518      1.0744      1.3758
C                1.3482     -1.0578      0.5537
C                0.6009      0.6140     -1.1034
H                1.2780      2.3951     -0.0404
H                2.4540      0.5772      1.3882
H               -0.5957      0.5587      1.4756
H                0.4675     -1.6415      0.7755
H               -1.1172     -0.2607     -0.5877
H               -0.4544      2.2700     -0.2226
H                1.5187     -0.3245      2.5698
H                0.4052      1.8503      2.1366
Br               2.8451     -2.3289      0.7835
H                0.5043      0.9446     -2.1241
O                1.6230     -1.4021     -1.8179
22
M14
O               -1.9506     -0.6210     -0.1838
C               -2.9087     -0.9023     -1.2036
H               -3.2464     -0.0061     -1.7214
H               -3.7704     -1.3576     -0.7298
H               -2.5303     -1.5934     -1.9519
C                1.2439     -0.5992     -0.9328
C                0.4450      1.6872     -0.0323
C                1.5079      0.0794      1.5635
C                0.3530      1.0779      1.3786
C                1.3458     -1.0557      0.5556
C                0.5986      0.6171     -1.1008
H                1.2792      2.3973     -0.0389
H                2.4547      0.5784      1.3878
H               -0.5949      0.5634      1.4799
H                0.4655     -1.6391      0.7797
H               -1.1229     -0.2503     -0.5855
H               -0.4537      2.2743     -0.2190
H                1.5203     -0.3220      2.5712
H                0.4084      1.8538      2.1392
Br               2.8431     -2.3270      0.7822
H                0.5002      0.9475     -2.1215
O                1.6124     -1.4027     -1.8164
22
M13
O               -1.9578     -0.6090     -0.1843
C               -2.9035     -0.9129     -1.2095
H               -3.2427     -0.0270     -1.7440
H               -3.7662     -1.3678     -0.7377
H               -2.5120     -1.6122     -1.9439
C                1.2390     -0.5977     -0.9313
C                0.4453      1.6904     -0.0301
C                1.5081      0.0815      1.5644
C                0.3541      1.0811      1.3809
C                1.3435     -1.0536      0.5570
C                0.5964      0.6200     -1.0987
H                1.2802      2.3996     -0.0374
H                2.4550      0.5795      1.3873
H               -0.5944      0.5676      1.4834
H                0.4635     -1.6368      0.7830
H               -1.1286     -0.2400     -0.5837
H               -0.4530      2.2784     -0.2159
H                1.5216     -0.3197      2.5721
H                0.4110      1.8570      2.1414
Br               2.8409     -2.3254      0.7810
H                0.4965      0.9500     -2.1192
O                1.6034     -1.4028     -1.8153
22
M12
O               -1.9647     -0.5979     -0.1850
C               -2.8983     -0.9231     -1.2145
H               -3.2386     -0.0474     -1.7648
H               -3.7627     -1.3773     -0.7445
H               -2.4951     -1.6297     -1.9347
C                1.2343     -0.5961     -0.9301
C                0.4454      1.6934     -0.0282
C                1.5081      0.0835      1.5652
C                0.3548      1.0843      1.3829
C                1.3411     -1.0516      0.5582
C                0.5944      0.6230     -1.0968
H                1.2811      2.4016     -0.0362
H                2.4553      0.5806      1.3868
H               -0.5940      0.5717      1.4865
H                0.4613     -1.6343      0.7859
H               -1.1333     -0.2311     -0.5822
H               -0.4524      2.2823     -0.2132
H                1.5224     -0.3176      2.5731
H                0.4133      1.8600      2.1434
Br               2.8385     -2.3239      0.7798
H                0.4933      0.9529     -2.1175
O                1.5951     -1.4027     -1.8143
22
M11
O               -1.9698     -0.5893     -0.1855
C               -2.8939     -0.9317     -1.2183
H               -3.2355     -0.0639     -1.7804
H               -3.7587     -1.3861     -0.7494
H               -2.4811     -1.6437     -1.9281
C                1.2306     -0.5947     -0.9292
C                0.4455      1.6959     -0.0267
C                1.5079      0.0850      1.5658
C                0.3555      1.0867      1.3844
C                1.3392     -1.0500      0.5591
C                0.5929      0.6254     -1.0955
H                1.2818      2.4035     -0.0352
H                2.4555      0.5813      1.3864
H               -0.5939      0.5750      1.4889
H                0.4595     -1.6324      0.7879
H               -1.1375     -0.2235     -0.5812
H               -0.4518      2.2856     -0.2110
H                1.5230     -0.3160      2.5736
H                0.4151      1.8624      2.1449
Br               2.8365     -2.3229      0.7788
H                0.4908      0.9551     -2.1158
O                1.5884     -1.4024     -1.8137
22
M10
O               -1.9751     -0.5804     -0.1864
C               -2.8895     -0.9405     -1.2218
H               -3.2326     -0.0817     -1.7963
H               -3.7550     -1.3951     -0.7542
H               -2.4668     -1.6575     -1.9200
C                1.2268     -0.5931     -0.9284
C                0.4457      1.6987     -0.0253
C                1.5078      0.0868      1.5663
C                0.3560      1.0895      1.3858
C                1.3371     -1.0482      0.5598
C                0.5913      0.6281     -1.0942
H                1.2826      2.4054     -0.0343
H                2.4555      0.5823      1.3860
H               -0.5936      0.5786      1.4911
H                0.4574     -1.6302      0.7900
H               -1.1412     -0.2160     -0.5803
H               -0.4514      2.2891     -0.2089
H                1.5234     -0.3142      2.5742
H                0.4169      1.8650      2.1463
Br               2.8341     -2.3217      0.7777
H                0.4883      0.9579     -2.1146
O                1.5818     -1.4019     -1.8131
22
M09
O               -1.9803     -0.5720     -0.1870
C               -2.8849     -0.9493     -1.2249
H               -3.2293     -0.0988     -1.8112
H               -3.7505     -1.4044     -0.7582
H               -2.4526     -1.6714     -1.9126
C                1.2232     -0.5916     -0.9276
C                0.4458      1.7013     -0.0238
C                1.5075      0.0884      1.5668
C                0.3564      1.0920      1.3873
C                1.3350     -1.0465      0.5605
C                0.5897      0.6307     -1.0929
H                1.2834      2.4073     -0.0332
H                2.4554      0.5831      1.3856
H               -0.5937      0.5818      1.4932
H                0.4552     -1.6280      0.7917
H               -1.1457     -0.2084     -0.5795
H               -0.4508      2.2925     -0.2069
H                1.5238     -0.3125      2.5746
H                0.4184      1.8674      2.1478
Br               2.8317     -2.3207      0.7768
H                0.4859      0.9603     -2.1131
O                1.5754     -1.4015     -1.8126
22
M08
O               -1.9855     -0.5630     -0.1880
C               -2.8799     -0.9589     -1.2281
H               -3.2258     -0.1179     -1.8268
H               -3.7460     -1.4145     -0.7626
H               -2.4374     -1.6856     -1.9036
C                1.2193     -0.5898     -0.9270
C                0.4460      1.7042     -0.0225
C                1.5072      0.0902      1.5672
C                0.3569      1.0949      1.3886
C                1.3327     -1.0445      0.5611
C                0.5881      0.6336     -1.0917
H                1.2842      2.4093     -0.0323
H                2.4553      0.5840      1.3851
H               -0.5936      0.5856      1.4952
H                0.4530     -1.6256      0.7935
H               -1.1494     -0.2007     -0.5787
H               -0.4502      2.2964     -0.2050
H                1.5239     -0.3107      2.5751
H                0.4201      1.8701      2.1491
Br               2.8291     -2.3195      0.7755
H                0.4834      0.9634     -2.1120
O                1.5686     -1.4007     -1.8122
22
M07
O               -1.9910     -0.5540     -0.1891
C               -2.8745     -0.9688     -1.2310
H               -3.2219     -0.1372     -1.8422
H               -3.7405     -1.4252     -0.7664
H               -2.4214     -1.7004     -1.8950
C                1.2153     -0.5879     -0.9263
C                0.4461      1.7073     -0.0211
C                1.5067      0.0920      1.5676
C                0.3573      1.0978      1.3899
C                1.3303     -1.0425      0.5616
C                0.5864      0.6367     -1.0906
H                1.2852      2.4116     -0.0313
H                2.4551      0.5849      1.3846
H               -0.5937      0.5893      1.4972
H                0.4504     -1.6231      0.7952
H               -1.1541     -0.1924     -0.5782
H               -0.4494      2.3004     -0.2029
H                1.5241     -0.3089      2.5753
H                0.4217      1.8729      2.1506
Br               2.8262     -2.3184      0.7742
H                0.4809      0.9663     -2.1105
O                1.5617     -1.3999     -1.8118
22
M06
O               -1.9953     -0.5468     -0.1900
C               -2.8701     -0.9771     -1.2332
H               -3.2188     -0.1539     -1.8545
H               -3.7366     -1.4341     -0.7696
H               -2.4087     -1.7120     -1.8866
C                1.2120     -0.5863     -0.9259
C                0.4462      1.7098     -0.0200
C                1.5062      0.0935      1.5679
C                0.3575      1.1001      1.3909
C                1.3282     -1.0409      0.5621
C                0.5850      0.6392     -1.0896
H                1.2858      2.4132     -0.0304
H                2.4550      0.5857      1.3842
H               -0.5937      0.5925      1.4987
H                0.4484     -1.6211      0.7966
H               -1.1572     -0.1860     -0.5777
H               -0.4490      2.3037     -0.2014
H                1.5240     -0.3074      2.5758
H                0.4228      1.8750      2.1516
Br               2.8237     -2.3175      0.7732
H                0.4789      0.9690     -2.1097
O                1.5560     -1.3992     -1.8115
22
M05
O               -1.9999     -0.5391     -0.1912
C               -2.8653     -0.9859     -1.2354
H               -3.2153     -0.1710     -1.8673
H               -3.7313     -1.4437     -0.7723
H               -2.3948     -1.7246     -1.8788
C                1.2085     -0.5846     -0.9255
C                0.4463      1.7125     -0.0190
C                1.5057      0.0950      1.5680
C                0.3577      1.1027      1.3919
C                1.3260     -1.0391      0.5623
C                0.5836      0.6419     -1.0888
H                1.2867      2.4152     -0.0297
H                2.4546      0.5864      1.3837
H               -0.5940      0.5957      1.5002
H                0.4460     -1.6189      0.7977
H               -1.1613     -0.1789     -0.5775
H               -0.4483      2.3072     -0.1999
H                1.5238     -0.3059      2.5757
H                0.4240      1.8775      2.1528
Br               2.8210     -2.3166      0.7720
H                0.4769      0.9717     -2.1085
O                1.5501     -1.3983     -1.8114
22
M04
O               -2.0045     -0.5316     -0.1924
C               -2.8604     -0.9946     -1.2374
H               -3.2117     -0.1887     -1.8797
H               -3.7267     -1.4535     -0.7752
H               -2.3812     -1.7365     -1.8698
C                1.2050     -0.5828     -0.9251
C                0.4464      1.7152     -0.0179
C                1.5049      0.0966      1.5683
C                0.3577      1.1052      1.3929
C                1.3236     -1.0373      0.5627
C                0.5821      0.6447     -1.0879
H                1.2874      2.4170     -0.0288
H                2.4542      0.5872      1.3834
H               -0.5942      0.5990      1.5016
H                0.4436     -1.6166      0.7988
H               -1.1647     -0.1720     -0.5772
H               -0.4478      2.3109     -0.1984
H                1.5234     -0.3044      2.5761
H                0.4250      1.8797      2.1538
Br               2.8182     -2.3156      0.7708
H                0.4747      0.9747     -2.1078
O                1.5441     -1.3974     -1.8112
22
M03
O               -2.0103     -0.5220     -0.1940
C               -2.8540     -1.0059     -1.2396
H               -3.2070     -0.2112     -1.8951
H               -3.7198     -1.4658     -0.7781
H               -2.3632     -1.7518     -1.8589
C                1.2006     -0.5804     -0.9247
C                0.4465      1.7188     -0.0167
C                1.5040      0.0987      1.5685
C                0.3578      1.1085      1.3940
C                1.3206     -1.0350      0.5629
C                0.5803      0.6484     -1.0870
H                1.2884      2.4197     -0.0277
H                2.4537      0.5882      1.3828
H               -0.5947      0.6032      1.5031
H                0.4405     -1.6137      0.8002
H               -1.1697     -0.1631     -0.5771
H               -0.4470      2.3156     -0.1965
H                1.5229     -0.3024      2.5761
H                0.4263      1.8828      2.1552
Br               2.8146     -2.3144      0.7693
H                0.4725      0.9784     -2.1065
O                1.5366     -1.3961     -1.8111
22
M02
O               -2.0161     -0.5124     -0.1958
C               -2.8473     -1.0174     -1.2417
H               -3.2018     -0.2345     -1.9102
H               -3.7130     -1.4790     -0.7811
H               -2.3453     -1.7666     -1.8467
C                1.1961     -0.5781     -0.9243
C                0.4466      1.7224     -0.0154
C                1.5030      0.1006      1.5687
C                0.3578      1.1118      1.3951
C                1.3175     -1.0327      0.5632
C                0.5785      0.6520     -1.0860
H                1.2894      2.4220     -0.0266
H                2.4530      0.5892      1.3823
H               -0.5951      0.6075      1.5047
H                0.4374     -1.6108      0.8015
H               -1.1743     -0.1541     -0.5769
H               -0.4463      2.3203     -0.1947
H                1.5223     -0.3006      2.5765
H                0.4274      1.8856      2.1564
Br               2.8109     -2.3132      0.7677
H                0.4697      0.9823     -2.1057
O                1.5289     -1.3948     -1.8110
22
M01
O               -2.0218     -0.5031     -0.1978
C               -2.8405     -1.0286     -1.2433
H               -3.1969     -0.2571     -1.9241
H               -3.7054     -1.4920     -0.7833
H               -2.3270     -1.7809     -1.8356
C                1.1917     -0.5756     -0.9240
C                0.4467      1.7260     -0.0142
C                1.5019      0.1027      1.5689
C                0.3577      1.1149      1.3961
C                1.3145     -1.0304      0.5634
C                0.5767      0.6557     -1.0851
H                1.2904      2.4246     -0.0255
H                2.4523      0.5901      1.3818
H               -0.5957      0.6115      1.5060
H                0.4342     -1.6080      0.8028
H               -1.1793     -0.1452     -0.5772
H               -0.4453      2.3252     -0.1929
H                1.5215     -0.2988      2.5764
H                0.4284      1.8886      2.1578
Br               2.8072     -2.3121      0.7661
H                0.4676      0.9861     -2.1044
O                1.5215     -1.3935     -1.8109
22
M00
O               -2.0285     -0.4923     -0.2003
C               -2.8324     -1.0419     -1.2453
H               -3.1908     -0.2844     -1.9406
H               -3.6964     -1.5078     -0.7861
H               -2.3056     -1.7969     -1.8216
C                1.1864     -0.5728     -0.9238
C                0.4469      1.7301     -0.0130
C                1.5005      0.1048      1.5689
C                0.3575      1.1187      1.3972
C                1.3107     -1.0277      0.5635
C                0.5747      0.6601     -1.0842
H                1.2917      2.4272     -0.0243
H                2.4514      0.5912      1.3812
H               -0.5964      0.6164      1.5073
H                0.4303     -1.6046      0.8039
H               -1.1848     -0.1348     -0.5773
H               -0.4444      2.3308     -0.1912
H                1.5204     -0.2967      2.5766
H                0.4294      1.8918      2.1590
Br               2.8026     -2.3107      0.7640
H                0.4646      0.9907     -2.1036
O                1.5125     -1.3919     -1.8111
