 27
 1  E= -0.129243E+02
C     0.1850    0.5241    3.5850
C    -0.0587   -0.4873    2.4768
C     0.0654   -1.9746    2.7646
C    -0.3880   -0.0614    1.2275
C    -0.5121    1.4260    0.9397
C     0.4829    1.8178   -0.1405
C     0.1913    1.0305   -1.4076
C    -0.1578    1.7620   -2.6935
C     0.2428   -0.3288   -1.3908
C    -0.0487   -1.1161   -2.6580
O    -0.0006   -2.3860   -2.6423
H     0.4308    0.0092    4.4901
H    -0.6988    1.1082    3.7355
H     0.9947    1.1670    3.3093
H    -0.8694   -2.4557    2.5655
H     0.8241   -2.3968    2.1392
H     0.3289   -2.1184    3.7916
H    -0.5596   -0.7734    0.4474
H    -1.5052    1.6429    0.6055
H    -0.3069    1.9802    1.8317
H     0.3955    2.8648   -0.3431
H     1.4759    1.6009    0.1936
H     0.5622    1.5213   -3.4475
H    -1.1313    1.4624   -3.0213
H    -0.1500    2.8173   -2.5169
H     0.4886   -0.8437   -0.4857
H    -0.2945   -0.6012   -3.5631
 27
 2  E= -0.247102E+02
C     0.1834    0.5082    3.5749
C    -0.0613   -0.4830    2.4649
C     0.0644   -1.9549    2.7644
C    -0.3880   -0.0554    1.2609
C    -0.5098    1.4086    0.9368
C     0.4776    1.8103   -0.1573
C     0.1921    1.0200   -1.4108
C    -0.1535    1.7570   -2.6730
C     0.2418   -0.3194   -1.4260
C    -0.0430   -1.1553   -2.6330
O    -0.0019   -2.3408   -2.6419
H     0.4322    0.0083    4.4987
H    -0.7035    1.1128    3.7389
H     0.9996    1.1720    3.3094
H    -0.8743   -2.4604    2.5644
H     0.8281   -2.4012    2.1351
H     0.3302   -2.1221    3.7991
H    -0.5653   -0.7757    0.4498
H    -1.5135    1.6454    0.6042
H    -0.3074    1.9882    1.8391
H     0.3968    2.8751   -0.3440
H     1.4845    1.6003    0.1964
H     0.5661    1.5213   -3.4548
H    -1.1370    1.4621   -3.0253
H    -0.1505    2.8252   -2.5188
H     0.4935   -0.8526   -0.4907
H    -0.2950   -0.6003   -3.5664
 27
 3  E= -0.281148E+02
C     0.1826    0.4936    3.5682
C    -0.0586   -0.4865    2.4865
C     0.0639   -1.9367    2.7631
C    -0.3945   -0.0445    1.2600
C    -0.5083    1.3947    0.9361
C     0.4728    1.8013   -0.1728
C     0.1925    1.0185   -1.4177
C    -0.1501    1.7555   -2.6557
C     0.2439   -0.3228   -1.4506
C    -0.0407   -1.1304   -2.6209
O    -0.0014   -2.3517   -2.6388
H     0.4338    0.0073    4.5081
H    -0.7073    1.1165    3.7431
H     1.0042    1.1764    3.3104
H    -0.8784   -2.4647    2.5636
H     0.8316   -2.4051    2.1315
H     0.3316   -2.1258    3.8064
H    -0.5718   -0.7748    0.4581
H    -1.5226    1.6474    0.6036
H    -0.3085    1.9981    1.8439
H     0.3983    2.8858   -0.3450
H     1.4931    1.6006    0.1979
H     0.5690    1.5227   -3.4610
H    -1.1422    1.4629   -3.0289
H    -0.1512    2.8341   -2.5207
H     0.4985   -0.8600   -0.5057
H    -0.2948   -0.6023   -3.5635
 27
 4  E= -0.288293E+02
C     0.1841    0.4848    3.5907
C    -0.0602   -0.4815    2.4722
C     0.0646   -1.9295    2.7697
C    -0.4020   -0.0513    1.2897
C    -0.5092    1.3921    0.9318
C     0.4691    1.7894   -0.1869
C     0.1942    1.0173   -1.4299
C    -0.1483    1.7627   -2.6602
C     0.2530   -0.3316   -1.4464
C    -0.0402   -1.1210   -2.6504
O    -0.0013   -2.3491   -2.6258
H     0.4364    0.0068    4.5281
H    -0.7102    1.1182    3.7520
H     1.0089    1.1790    3.3157
H    -0.8817   -2.4686    2.5631
H     0.8346   -2.4082    2.1290
H     0.3333   -2.1327    3.8147
H    -0.5834   -0.7702    0.4867
H    -1.5354    1.6487    0.6062
H    -0.3111    2.0141    1.8380
H     0.4005    2.8966   -0.3471
H     1.5030    1.6021    0.1919
H     0.5702    1.5279   -3.4644
H    -1.1474    1.4670   -3.0317
H    -0.1526    2.8480   -2.5243
H     0.5066   -0.8721   -0.5611
H    -0.2945   -0.6090   -3.5522
 27
 5  E= -0.292815E+02
C     0.1876    0.4845    3.6084
C    -0.0589   -0.4821    2.5139
C     0.0664   -1.9378    2.7745
C    -0.4128   -0.0521    1.2687
C    -0.5125    1.3967    0.9299
C     0.4683    1.7841   -0.1871
C     0.1967    1.0082   -1.4364
C    -0.1493    1.7729   -2.6771
C     0.2623   -0.3299   -1.4613
C    -0.0388   -1.1480   -2.6614
O    -0.0027   -2.3210   -2.6177
H     0.4395    0.0050    4.5477
H    -0.7106    1.1160    3.7615
H     1.0116    1.1767    3.3249
H    -0.8822   -2.4699    2.5645
H     0.8355   -2.4087    2.1314
H     0.3347   -2.1393    3.8178
H    -0.5974   -0.7665    0.5122
H    -1.5469    1.6478    0.6107
H    -0.3142    2.0287    1.8240
H     0.4029    2.8986   -0.3488
H     1.5101    1.6034    0.1804
H     0.5702    1.5348   -3.4662
H    -1.1509    1.4730   -3.0326
H    -0.1542    2.8599   -2.5277
H     0.5172   -0.8910   -0.6015
H    -0.2959   -0.6122   -3.5576
 27
 6  E= -0.310107E+02
C     0.1895    0.4970    3.6105
C    -0.0608   -0.4817    2.5113
C     0.0663   -1.9603    2.7770
C    -0.4152   -0.0448    1.2991
C    -0.5185    1.4041    0.9279
C     0.4733    1.7954   -0.1737
C     0.1991    1.0039   -1.4378
C    -0.1522    1.7776   -2.6844
C     0.2650   -0.3159   -1.5122
C    -0.0359   -1.1381   -2.6358
O    -0.0027   -2.3454   -2.6214
H     0.4408    0.0028    4.5611
H    -0.7070    1.1095    3.7698
H     1.0086    1.1679    3.3383
H    -0.8785   -2.4667    2.5672
H     0.8322   -2.4050    2.1393
H     0.3344   -2.1434    3.8140
H    -0.6078   -0.7736    0.5066
H    -1.5481    1.6442    0.6146
H    -0.3162    2.0315    1.8073
H     0.4044    2.8820   -0.3494
H     1.5071    1.6032    0.1670
H     0.5699    1.5408   -3.4705
H    -1.1490    1.4796   -3.0326
H    -0.1544    2.8601   -2.5301
H     0.5269   -0.9127   -0.5901
H    -0.2990   -0.6070   -3.5904
 27
 7  E= -0.316312E+02
C     0.1900    0.4888    3.6123
C    -0.0623   -0.4849    2.5194
C     0.0649   -1.9456    2.7796
C    -0.4162   -0.0303    1.3206
C    -0.5217    1.3922    0.9283
C     0.4725    1.7893   -0.2004
C     0.1999    1.0404   -1.4490
C    -0.1517    1.7758   -2.6539
C     0.2725   -0.3255   -1.4842
C    -0.0360   -1.1391   -2.6817
O    -0.0033   -2.3621   -2.6228
H     0.4420    0.0047    4.5691
H    -0.7067    1.1088    3.7849
H     1.0105    1.1664    3.3537
H    -0.8793   -2.4691    2.5697
H     0.8332   -2.4061    2.1411
H     0.3355   -2.1515    3.8219
H    -0.6191   -0.7776    0.5043
H    -1.5525    1.6422    0.6140
H    -0.3182    2.0421    1.8044
H     0.4061    2.8748   -0.3539
H     1.5088    1.6021    0.1579
H     0.5721    1.5474   -3.4869
H    -1.1509    1.4866   -3.0387
H    -0.1549    2.8621   -2.5351
H     0.5362   -0.9248   -0.5998
H    -0.3009   -0.6112   -3.6104
 27
 8  E= -0.329771E+02
C     0.1922    0.4747    3.6481
C    -0.0626   -0.4812    2.5164
C     0.0662   -1.9257    2.7922
C    -0.4211   -0.0422    1.3094
C    -0.5210    1.3913    0.9261
C     0.4672    1.7764   -0.1979
C     0.2025    1.0089   -1.4378
C    -0.1521    1.7881   -2.6925
C     0.2791   -0.3193   -1.4869
C    -0.0357   -1.1327   -2.6890
O    -0.0051   -2.3534   -2.6274
H     0.4441    0.0084    4.5738
H    -0.7075    1.1105    3.8013
H     1.0166    1.1706    3.3652
H    -0.8818   -2.4735    2.5724
H     0.8366   -2.4081    2.1399
H     0.3377   -2.1601    3.8310
H    -0.6295   -0.7656    0.5374
H    -1.5612    1.6412    0.6122
H    -0.3204    2.0583    1.8026
H     0.4078    2.8850   -0.3572
H     1.5147    1.6015    0.1513
H     0.5698    1.5568   -3.4830
H    -1.1545    1.4937   -3.0397
H    -0.1566    2.8722   -2.5383
H     0.5442   -0.9273   -0.6354
H    -0.3009   -0.6235   -3.6090
 27
 9  E= -0.344827E+02
C     0.1914    0.4821    3.6376
C    -0.0627   -0.4732    2.5271
C     0.0667   -1.9408    2.7920
C    -0.4219   -0.0462    1.3101
C    -0.5221    1.4005    0.9277
C     0.4680    1.7798   -0.1865
C     0.2015    1.0101   -1.4547
C    -0.1520    1.7867   -2.6865
C     0.2800   -0.3333   -1.5048
C    -0.0335   -1.1401   -2.6759
O    -0.0054   -2.3402   -2.6304
H     0.4456    0.0047    4.5845
H    -0.7048    1.1072    3.8057
H     1.0155    1.1672    3.3711
H    -0.8787   -2.4707    2.5753
H     0.8342   -2.4044    2.1454
H     0.3376   -2.1606    3.8300
H    -0.6342   -0.7645    0.5385
H    -1.5608    1.6388    0.6120
H    -0.3218    2.0584    1.7976
H     0.4080    2.8814   -0.3576
H     1.5131    1.6006    0.1502
H     0.5684    1.5601   -3.4831
H    -1.1537    1.4966   -3.0400
H    -0.1568    2.8727   -2.5384
H     0.5481   -0.9289   -0.6370
H    -0.3010   -0.6268   -3.6106
 27
 10  E= -0.349184E+02
C     0.1915    0.4878    3.6373
C    -0.0632   -0.4771    2.5326
C     0.0660   -1.9456    2.7916
C    -0.4220   -0.0355    1.3185
C    -0.5240    1.3987    0.9287
C     0.4683    1.7799   -0.1977
C     0.2020    1.0075   -1.4548
C    -0.1518    1.7849   -2.6761
C     0.2816   -0.3223   -1.5081
C    -0.0326   -1.1406   -2.6846
O    -0.0058   -2.3468   -2.6338
H     0.4465    0.0021    4.5894
H    -0.7025    1.1048    3.8113
H     1.0149    1.1646    3.3775
H    -0.8763   -2.4685    2.5781
H     0.8324   -2.4012    2.1499
H     0.3375   -2.1616    3.8297
H    -0.6406   -0.7678    0.5329
H    -1.5601    1.6364    0.6116
H    -0.3235    2.0594    1.7959
H     0.4084    2.8750   -0.3579
H     1.5113    1.5987    0.1497
H     0.5682    1.5639   -3.4875
H    -1.1536    1.5003   -3.0420
H    -0.1569    2.8725   -2.5382
H     0.5540   -0.9326   -0.6340
H    -0.3015   -0.6287   -3.6137
 27
 11  E= -0.351040E+02
C     0.1933    0.4848    3.6552
C    -0.0643   -0.4804    2.5341
C     0.0656   -1.9390    2.7977
C    -0.4235   -0.0300    1.3267
C    -0.5254    1.3972    0.9235
C     0.4666    1.7740   -0.2039
C     0.2026    1.0202   -1.4511
C    -0.1523    1.7876   -2.6814
C     0.2866   -0.3314   -1.5187
C    -0.0311   -1.1381   -2.6889
O    -0.0069   -2.3541   -2.6407
H     0.4479    0.0014    4.5924
H    -0.7009    1.1039    3.8255
H     1.0172    1.1642    3.3894
H    -0.8754   -2.4683    2.5822
H     0.8325   -2.3984    2.1529
H     0.3382   -2.1659    3.8323
H    -0.6521   -0.7657    0.5390
H    -1.5620    1.6329    0.6096
H    -0.3263    2.0664    1.7920
H     0.4092    2.8694   -0.3622
H     1.5099    1.5955    0.1456
H     0.5665    1.5729   -3.4901
H    -1.1542    1.5080   -3.0439
H    -0.1574    2.8739   -2.5356
H     0.5642   -0.9362   -0.6432
H    -0.3028   -0.6325   -3.6262
 27
 12  E= -0.355887E+02
C     0.1946    0.4771    3.6564
C    -0.0655   -0.4718    2.5402
C     0.0655   -1.9316    2.8031
C    -0.4253   -0.0362    1.3317
C    -0.5255    1.3994    0.9237
C     0.4649    1.7703   -0.1936
C     0.2027    1.0113   -1.4711
C    -0.1527    1.7928   -2.6820
C     0.2917   -0.3308   -1.5158
C    -0.0301   -1.1375   -2.6977
O    -0.0077   -2.3564   -2.6464
H     0.4495   -0.0001    4.6017
H    -0.7003    1.1042    3.8395
H     1.0201    1.1649    3.4008
H    -0.8759   -2.4693    2.5859
H     0.8336   -2.3967    2.1549
H     0.3391   -2.1698    3.8377
H    -0.6616   -0.7588    0.5504
H    -1.5650    1.6304    0.6062
H    -0.3289    2.0731    1.7857
H     0.4100    2.8682   -0.3664
H     1.5092    1.5922    0.1425
H     0.5647    1.5809   -3.4925
H    -1.1552    1.5146   -3.0458
H    -0.1580    2.8763   -2.5337
H     0.5728   -0.9363   -0.6561
H    -0.3037   -0.6372   -3.6347
 27
 13  E= -0.356841E+02
C     0.1954    0.4801    3.6615
C    -0.0671   -0.4575    2.5531
C     0.0655   -1.9391    2.8084
C    -0.4291   -0.0415    1.3338
C    -0.5270    1.4034    0.9354
C     0.4638    1.7664   -0.2115
C     0.2041    0.9976   -1.4615
C    -0.1536    1.8002   -2.6859
C     0.2980   -0.3341   -1.5320
C    -0.0283   -1.1450   -2.7110
O    -0.0082   -2.3488   -2.6547
H     0.4521   -0.0062    4.6216
H    -0.6972    1.1010    3.8591
H     1.0222    1.1625    3.4203
H    -0.8748   -2.4675    2.5937
H     0.8332   -2.3907    2.1640
H     0.3399   -2.1728    3.8441
H    -0.6746   -0.7505    0.5634
H    -1.5681    1.6258    0.6005
H    -0.3331    2.0805    1.7759
H     0.4111    2.8639   -0.3699
H     1.5078    1.5861    0.1404
H     0.5621    1.5926   -3.5007
H    -1.1563    1.5240   -3.0504
H    -0.1587    2.8818   -2.5280
H     0.5853   -0.9362   -0.6677
H    -0.3039   -0.6445   -3.6399
 27
 14  E= -0.361533E+02
C     0.1979    0.4879    3.6957
C    -0.0673   -0.4671    2.5590
C     0.0654   -1.9386    2.8159
C    -0.4321   -0.0251    1.3393
C    -0.5292    1.3981    0.9180
C     0.4630    1.7621   -0.2053
C     0.2039    0.9949   -1.4791
C    -0.1542    1.7999   -2.6823
C     0.3028   -0.3348   -1.5476
C    -0.0263   -1.1506   -2.7182
O    -0.0098   -2.3479   -2.6657
H     0.4545   -0.0112    4.6250
H    -0.6929    1.0977    3.8770
H     1.0245    1.1604    3.4367
H    -0.8730   -2.4647    2.6006
H     0.8325   -2.3840    2.1699
H     0.3406   -2.1744    3.8474
H    -0.6889   -0.7497    0.5649
H    -1.5688    1.6208    0.5987
H    -0.3366    2.0892    1.7775
H     0.4120    2.8577   -0.3758
H     1.5053    1.5795    0.1367
H     0.5594    1.6045   -3.5050
H    -1.1572    1.5337   -3.0532
H    -0.1591    2.8872   -2.5207
H     0.5990   -0.9387   -0.6769
H    -0.3049   -0.6489   -3.6508
 27
 15  E= -0.363237E+02
C     0.1992    0.4786    3.6855
C    -0.0683   -0.4711    2.5698
C     0.0642   -1.9247    2.8225
C    -0.4329   -0.0167    1.3633
C    -0.5316    1.3985    0.9167
C     0.4614    1.7524   -0.2055
C     0.2039    1.0071   -1.4798
C    -0.1548    1.8030   -2.6979
C     0.3084   -0.3378   -1.5468
C    -0.0233   -1.1464   -2.7246
O    -0.0108   -2.3630   -2.6781
H     0.4568   -0.0176    4.6366
H    -0.6908    1.0979    3.8985
H     1.0276    1.1608    3.4536
H    -0.8725   -2.4641    2.6052
H     0.8332   -2.3797    2.1700
H     0.3413   -2.1764    3.8532
H    -0.7032   -0.7498    0.5713
H    -1.5695    1.6162    0.5940
H    -0.3408    2.0936    1.7684
H     0.4128    2.8506   -0.3817
H     1.5021    1.5723    0.1338
H     0.5562    1.6175   -3.5011
H    -1.1580    1.5438   -3.0536
H    -0.1594    2.8888   -2.5113
H     0.6131   -0.9407   -0.6926
H    -0.3064   -0.6497   -3.6701
 27
 16  E= -0.363473E+02
C     0.2004    0.4722    3.7094
C    -0.0707   -0.4538    2.5662
C     0.0635   -1.9239    2.8315
C    -0.4353   -0.0284    1.3554
C    -0.5328    1.4053    0.9305
C     0.4605    1.7484   -0.2229
C     0.2043    1.0049   -1.4916
C    -0.1554    1.8091   -2.6762
C     0.3126   -0.3395   -1.5618
C    -0.0211   -1.1466   -2.7342
O    -0.0107   -2.3698   -2.6841
H     0.4581   -0.0206    4.6347
H    -0.6885    1.0976    3.9121
H     1.0302    1.1616    3.4648
H    -0.8725   -2.4627    2.6110
H     0.8333   -2.3745    2.1751
H     0.3417   -2.1762    3.8589
H    -0.7128   -0.7412    0.5950
H    -1.5707    1.6128    0.5856
H    -0.3448    2.0972    1.7562
H     0.4137    2.8440   -0.3851
H     1.4998    1.5645    0.1336
H     0.5555    1.6268   -3.5145
H    -1.1594    1.5509   -3.0598
H    -0.1594    2.8876   -2.5079
H     0.6250   -0.9411   -0.6968
H    -0.3064   -0.6527   -3.6755
 27
 17  E= -0.366688E+02
C     0.2022    0.4784    3.7158
C    -0.0708   -0.4437    2.5857
C     0.0644   -1.9297    2.8274
C    -0.4388   -0.0271    1.3647
C    -0.5330    1.4005    0.9058
C     0.4595    1.7468   -0.2146
C     0.2047    0.9864   -1.4847
C    -0.1575    1.8171   -2.6837
C     0.3167   -0.3444   -1.5737
C    -0.0210   -1.1541   -2.7513
O    -0.0113   -2.3589   -2.6899
H     0.4609   -0.0293    4.6509
H    -0.6849    1.0945    3.9271
H     1.0320    1.1592    3.4802
H    -0.8722   -2.4599    2.6197
H     0.8326   -2.3676    2.1867
H     0.3424   -2.1749    3.8666
H    -0.7224   -0.7369    0.5971
H    -1.5725    1.6099    0.5826
H    -0.3475    2.1067    1.7657
H     0.4148    2.8409   -0.3879
H     1.4983    1.5562    0.1314
H     0.5529    1.6369   -3.5194
H    -1.1607    1.5584   -3.0620
H    -0.1599    2.8930   -2.4998
H     0.6353   -0.9381   -0.7077
H    -0.3056   -0.6583   -3.6695
 27
 18  E= -0.371660E+02
C     0.2025    0.4810    3.7139
C    -0.0710   -0.4552    2.5802
C     0.0636   -1.9242    2.8347
C    -0.4392   -0.0169    1.3638
C    -0.5336    1.3983    0.9221
C     0.4602    1.7442   -0.2157
C     0.2037    0.9889   -1.4925
C    -0.1571    1.8132   -2.6914
C     0.3173   -0.3435   -1.5695
C    -0.0199   -1.1553   -2.7438
O    -0.0110   -2.3590   -2.6951
H     0.4617   -0.0329    4.6535
H    -0.6842    1.0944    3.9291
H     1.0321    1.1588    3.4818
H    -0.8726   -2.4593    2.6187
H     0.8335   -2.3670    2.1837
H     0.3419   -2.1727    3.8621
H    -0.7235   -0.7410    0.5942
H    -1.5723    1.6096    0.5805
H    -0.3488    2.1025    1.7580
H     0.4152    2.8412   -0.3884
H     1.4977    1.5539    0.1322
H     0.5507    1.6394   -3.5125
H    -1.1602    1.5598   -3.0600
H    -0.1598    2.8956   -2.4966
H     0.6371   -0.9373   -0.7117
H    -0.3061   -0.6552   -3.6777
 27
 19  E= -0.371942E+02
C     0.2039    0.4741    3.7190
C    -0.0715   -0.4537    2.5845
C     0.0623   -1.9173    2.8349
C    -0.4396   -0.0202    1.3717
C    -0.5355    1.4050    0.9130
C     0.4599    1.7377   -0.2206
C     0.2029    0.9981   -1.4950
C    -0.1578    1.8127   -2.6848
C     0.3192   -0.3414   -1.5714
C    -0.0182   -1.1537   -2.7442
O    -0.0110   -2.3691   -2.7016
H     0.4626   -0.0362    4.6455
H    -0.6822    1.0949    3.9375
H     1.0337    1.1596    3.4873
H    -0.8725   -2.4570    2.6215
H     0.8338   -2.3634    2.1837
H     0.3419   -2.1693    3.8686
H    -0.7286   -0.7415    0.6014
H    -1.5707    1.6075    0.5779
H    -0.3513    2.1023    1.7538
H     0.4161    2.8357   -0.3896
H     1.4954    1.5470    0.1320
H     0.5491    1.6459   -3.5133
H    -1.1609    1.5644   -3.0610
H    -0.1596    2.8948   -2.4912
H     0.6449   -0.9390   -0.7117
H    -0.3064   -0.6525   -3.6882
 27
 20  E= -0.373657E+02
C     0.2050    0.4742    3.7228
C    -0.0724   -0.4455    2.5840
C     0.0625   -1.9180    2.8454
C    -0.4420   -0.0171    1.3703
C    -0.5358    1.3976    0.9158
C     0.4592    1.7367   -0.2181
C     0.2031    0.9921   -1.4968
C    -0.1589    1.8188   -2.6858
C     0.3217   -0.3464   -1.5797
C    -0.0178   -1.1539   -2.7556
O    -0.0109   -2.3681   -2.7049
H     0.4644   -0.0417    4.6543
H    -0.6801    1.0942    3.9471
H     1.0354    1.1593    3.4954
H    -0.8728   -2.4551    2.6254
H     0.8338   -2.3594    2.1877
H     0.3420   -2.1668    3.8689
H    -0.7342   -0.7396    0.6071
H    -1.5721    1.6063    0.5723
H    -0.3534    2.1071    1.7531
H     0.4175    2.8323   -0.3919
H     1.4946    1.5399    0.1313
H     0.5482    1.6522   -3.5162
H    -1.1624    1.5688   -3.0624
H    -0.1597    2.8955   -2.4862
H     0.6524   -0.9384   -0.7180
H    -0.3054   -0.6552   -3.6835
 27
 21  E= -0.374525E+02
C     0.2053    0.4770    3.7239
C    -0.0724   -0.4466    2.5857
C     0.0623   -1.9176    2.8398
C    -0.4428   -0.0184    1.3697
C    -0.5360    1.3990    0.9169
C     0.4596    1.7363   -0.2191
C     0.2030    0.9877   -1.4970
C    -0.1595    1.8191   -2.6866
C     0.3219   -0.3459   -1.5781
C    -0.0176   -1.1567   -2.7529
O    -0.0105   -2.3646   -2.7058
H     0.4648   -0.0434    4.6545
H    -0.6790    1.0937    3.9471
H     1.0354    1.1588    3.4957
H    -0.8730   -2.4541    2.6262
H     0.8331   -2.3580    2.1895
H     0.3421   -2.1653    3.8715
H    -0.7338   -0.7403    0.6063
H    -1.5720    1.6065    0.5717
H    -0.3539    2.1064    1.7522
H     0.4182    2.8321   -0.3913
H     1.4945    1.5379    0.1317
H     0.5479    1.6529   -3.5155
H    -1.1627    1.5691   -3.0620
H    -0.1597    2.8964   -2.4853
H     0.6531   -0.9373   -0.7200
H    -0.3050   -0.6543   -3.6847
 27
 22  E= -0.375143E+02
C     0.2063    0.4765    3.7255
C    -0.0728   -0.4455    2.5871
C     0.0620   -1.9154    2.8429
C    -0.4440   -0.0185    1.3712
C    -0.5370    1.3997    0.9141
C     0.4599    1.7328   -0.2203
C     0.2022    0.9879   -1.4981
C    -0.1603    1.8184   -2.6855
C     0.3228   -0.3463   -1.5790
C    -0.0171   -1.1561   -2.7536
O    -0.0100   -2.3654   -2.7096
H     0.4660   -0.0474    4.6536
H    -0.6772    1.0936    3.9507
H     1.0364    1.1588    3.4981
H    -0.8735   -2.4520    2.6280
H     0.8332   -2.3555    2.1906
H     0.3417   -2.1607    3.8713
H    -0.7354   -0.7419    0.6067
H    -1.5717    1.6060    0.5693
H    -0.3555    2.1061    1.7508
H     0.4197    2.8301   -0.3905
H     1.4937    1.5319    0.1324
H     0.5468    1.6567   -3.5142
H    -1.1636    1.5715   -3.0613
H    -0.1597    2.8980   -2.4808
H     0.6574   -0.9370   -0.7224
H    -0.3043   -0.6528   -3.6861
 27
 23  E= -0.375678E+02
C     0.2082    0.4759    3.7266
C    -0.0738   -0.4436    2.5852
C     0.0610   -1.9106    2.8407
C    -0.4460   -0.0176    1.3710
C    -0.5385    1.3976    0.9137
C     0.4609    1.7291   -0.2189
C     0.2007    0.9890   -1.4987
C    -0.1621    1.8191   -2.6834
C     0.3237   -0.3485   -1.5795
C    -0.0164   -1.1547   -2.7547
O    -0.0088   -2.3680   -2.7119
H     0.4679   -0.0530    4.6513
H    -0.6745    1.0943    3.9539
H     1.0382    1.1593    3.4994
H    -0.8747   -2.4484    2.6307
H     0.8333   -2.3520    2.1927
H     0.3412   -2.1528    3.8766
H    -0.7358   -0.7450    0.6076
H    -1.5713    1.6063    0.5656
H    -0.3578    2.1045    1.7487
H     0.4230    2.8266   -0.3892
H     1.4926    1.5218    0.1332
H     0.5454    1.6609   -3.5125
H    -1.1653    1.5738   -3.0599
H    -0.1598    2.8980   -2.4758
H     0.6636   -0.9372   -0.7226
H    -0.3027   -0.6493   -3.6862
 27
 24  E= -0.376576E+02
C     0.2108    0.4757    3.7270
C    -0.0749   -0.4402    2.5856
C     0.0600   -1.9064    2.8466
C    -0.4492   -0.0185    1.3702
C    -0.5407    1.3966    0.9095
C     0.4621    1.7246   -0.2197
C     0.1992    0.9863   -1.4988
C    -0.1648    1.8226   -2.6798
C     0.3254   -0.3499   -1.5803
C    -0.0154   -1.1558   -2.7557
O    -0.0073   -2.3680   -2.7184
H     0.4708   -0.0604    4.6484
H    -0.6703    1.0948    3.9606
H     1.0407    1.1593    3.5031
H    -0.8762   -2.4434    2.6345
H     0.8334   -2.3473    2.1950
H     0.3403   -2.1422    3.8782
H    -0.7370   -0.7482    0.6087
H    -1.5714    1.6063    0.5599
H    -0.3613    2.1034    1.7466
H     0.4280    2.8210   -0.3869
H     1.4914    1.5075    0.1345
H     0.5433    1.6674   -3.5111
H    -1.1680    1.5777   -3.0584
H    -0.1602    2.8980   -2.4685
H     0.6726   -0.9376   -0.7255
H    -0.3005   -0.6452   -3.6895
 27
 25  E= -0.377211E+02
C     0.2154    0.4761    3.7323
C    -0.0775   -0.4316    2.5891
C     0.0584   -1.8991    2.8540
C    -0.4561   -0.0204    1.3708
C    -0.5454    1.3956    0.9067
C     0.4640    1.7128   -0.2191
C     0.1968    0.9804   -1.5018
C    -0.1697    1.8231   -2.6778
C     0.3295   -0.3519   -1.5879
C    -0.0133   -1.1568   -2.7653
O    -0.0044   -2.3654   -2.7294
H     0.4771   -0.0730    4.6443
H    -0.6618    1.0954    3.9747
H     1.0466    1.1593    3.5107
H    -0.8792   -2.4343    2.6439
H     0.8332   -2.3381    2.2043
H     0.3389   -2.1234    3.8846
H    -0.7406   -0.7537    0.6108
H    -1.5736    1.6061    0.5478
H    -0.3686    2.1026    1.7407
H     0.4393    2.8125   -0.3830
H     1.4901    1.4801    0.1376
H     0.5386    1.6808   -3.5043
H    -1.1735    1.5864   -3.0537
H    -0.1617    2.9032   -2.4516
H     0.6906   -0.9398   -0.7333
H    -0.2959   -0.6402   -3.6873
 27
 26  E= -0.377660E+02
C     0.2192    0.4792    3.7345
C    -0.0799   -0.4259    2.5858
C     0.0572   -1.8944    2.8581
C    -0.4614   -0.0196    1.3682
C    -0.5499    1.3921    0.9009
C     0.4658    1.7042   -0.2190
C     0.1953    0.9758   -1.5009
C    -0.1743    1.8273   -2.6702
C     0.3340   -0.3560   -1.5885
C    -0.0110   -1.1557   -2.7673
O    -0.0028   -2.3661   -2.7393
H     0.4829   -0.0813    4.6473
H    -0.6547    1.0961    3.9869
H     1.0517    1.1588    3.5165
H    -0.8811   -2.4276    2.6526
H     0.8327   -2.3317    2.2139
H     0.3378   -2.1112    3.8925
H    -0.7441   -0.7566    0.6161
H    -1.5760    1.6055    0.5388
H    -0.3747    2.1037    1.7384
H     0.4500    2.8044   -0.3799
H     1.4891    1.4588    0.1391
H     0.5351    1.6908   -3.5050
H    -1.1785    1.5936   -3.0509
H    -0.1637    2.9054   -2.4405
H     0.7045   -0.9412   -0.7497
H    -0.2928   -0.6366   -3.6931
 27
 27  E= -0.378325E+02
C     0.2198    0.4789    3.7330
C    -0.0804   -0.4280    2.5877
C     0.0563   -1.8910    2.8591
C    -0.4622   -0.0191    1.3706
C    -0.5520    1.3920    0.9018
C     0.4673    1.7054   -0.2168
C     0.1952    0.9757   -1.5008
C    -0.1756    1.8314   -2.6688
C     0.3347   -0.3576   -1.5915
C    -0.0100   -1.1562   -2.7706
O    -0.0023   -2.3667   -2.7395
H     0.4845   -0.0779    4.6424
H    -0.6533    1.0973    3.9864
H     1.0532    1.1587    3.5130
H    -0.8815   -2.4275    2.6543
H     0.8328   -2.3335    2.2141
H     0.3373   -2.1106    3.8960
H    -0.7432   -0.7580    0.6138
H    -1.5773    1.6054    0.5376
H    -0.3764    2.1021    1.7355
H     0.4552    2.8013   -0.3779
H     1.4892    1.4553    0.1405
H     0.5337    1.6901   -3.5037
H    -1.1801    1.5935   -3.0488
H    -0.1652    2.9015   -2.4414
H     0.7060   -0.9441   -0.7479
H    -0.2922   -0.6354   -3.6966
 27
 28  E= -0.378857E+02
C     0.2204    0.4800    3.7303
C    -0.0810   -0.4277    2.5875
C     0.0558   -1.8922    2.8600
C    -0.4630   -0.0191    1.3695
C    -0.5535    1.3911    0.9020
C     0.4685    1.7039   -0.2148
C     0.1958    0.9777   -1.5003
C    -0.1764    1.8293   -2.6690
C     0.3353   -0.3550   -1.5927
C    -0.0092   -1.1563   -2.7724
O    -0.0022   -2.3661   -2.7403
H     0.4863   -0.0722    4.6420
H    -0.6526    1.0996    3.9844
H     1.0544    1.1586    3.5075
H    -0.8817   -2.4283    2.6564
H     0.8322   -2.3362    2.2167
H     0.3368   -2.1120    3.8986
H    -0.7416   -0.7571    0.6150
H    -1.5791    1.6053    0.5374
H    -0.3780    2.1021    1.7371
H     0.4611    2.8010   -0.3761
H     1.4895    1.4541    0.1434
H     0.5318    1.6884   -3.4995
H    -1.1814    1.5929   -3.0450
H    -0.1674    2.9014   -2.4397
H     0.7056   -0.9476   -0.7452
H    -0.2919   -0.6351   -3.7006
 27
 29  E= -0.380105E+02
C     0.2232    0.4848    3.7273
C    -0.0837   -0.4264    2.5890
C     0.0542   -1.8915    2.8659
C    -0.4670   -0.0202    1.3706
C    -0.5589    1.3915    0.9014
C     0.4715    1.6975   -0.2101
C     0.1970    0.9757   -1.4980
C    -0.1810    1.8272   -2.6641
C     0.3391   -0.3554   -1.5984
C    -0.0061   -1.1535   -2.7803
O    -0.0009   -2.3630   -2.7480
H     0.4934   -0.0607    4.6400
H    -0.6479    1.1060    3.9822
H     1.0596    1.1587    3.4950
H    -0.8832   -2.4279    2.6651
H     0.8305   -2.3399    2.2279
H     0.3344   -2.1096    3.9038
H    -0.7397   -0.7579    0.6136
H    -1.5846    1.6041    0.5314
H    -0.3855    2.1013    1.7337
H     0.4811    2.7968   -0.3698
H     1.4901    1.4409    0.1526
H     0.5260    1.6883   -3.4957
H    -1.1874    1.5942   -3.0361
H    -0.1739    2.9030   -2.4314
H     0.7099   -0.9535   -0.7551
H    -0.2890   -0.6348   -3.7046
 27
 30  E= -0.382099E+02
C     0.2323    0.4984    3.7188
C    -0.0910   -0.4230    2.5906
C     0.0486   -1.8854    2.8829
C    -0.4788   -0.0237    1.3714
C    -0.5737    1.3887    0.8957
C     0.4805    1.6804   -0.2018
C     0.1987    0.9693   -1.4942
C    -0.1942    1.8288   -2.6481
C     0.3494   -0.3597   -1.6099
C     0.0020   -1.1470   -2.7979
O     0.0037   -2.3572   -2.7716
H     0.5136   -0.0396    4.6354
H    -0.6322    1.1230    3.9803
H     1.0737    1.1594    3.4679
H    -0.8886   -2.4234    2.6876
H     0.8262   -2.3442    2.2528
H     0.3279   -2.0941    3.9235
H    -0.7361   -0.7628    0.6125
H    -1.5959    1.6003    0.5128
H    -0.4074    2.1005    1.7303
H     0.5339    2.7795   -0.3513
H     1.4890    1.3954    0.1775
H     0.5083    1.6943   -3.4822
H    -1.2043    1.5991   -3.0124
H    -0.1902    2.9036   -2.4064
H     0.7276   -0.9668   -0.7780
H    -0.2800   -0.6282   -3.7187
 27
 31  E= -0.383254E+02
C     0.2452    0.5136    3.7046
C    -0.1006   -0.4154    2.5915
C     0.0408   -1.8760    2.9043
C    -0.4943   -0.0240    1.3711
C    -0.5911    1.3833    0.8876
C     0.4929    1.6532   -0.1819
C     0.2011    0.9611   -1.4824
C    -0.2139    1.8312   -2.6225
C     0.3627   -0.3652   -1.6225
C     0.0128   -1.1407   -2.8190
O     0.0109   -2.3515   -2.8065
H     0.5407   -0.0125    4.6205
H    -0.6102    1.1491    3.9754
H     1.0918    1.1631    3.4316
H    -0.8967   -2.4163    2.7169
H     0.8192   -2.3455    2.2859
H     0.3182   -2.0679    3.9484
H    -0.7330   -0.7719    0.6095
H    -1.6074    1.5934    0.4851
H    -0.4393    2.0976    1.7171
H     0.6037    2.7537   -0.3294
H     1.4836    1.3291    0.2063
H     0.4833    1.7061   -3.4749
H    -1.2274    1.6050   -2.9819
H    -0.2122    2.9045   -2.3714
H     0.7531   -0.9808   -0.8067
H    -0.2672   -0.6143   -3.7415
 27
 32  E= -0.384753E+02
C     0.2501    0.5215    3.6989
C    -0.1040   -0.4163    2.5928
C     0.0366   -1.8711    2.9121
C    -0.4991   -0.0282    1.3727
C    -0.5952    1.3804    0.8836
C     0.4978    1.6460   -0.1806
C     0.2025    0.9575   -1.4823
C    -0.2206    1.8337   -2.6130
C     0.3670   -0.3683   -1.6268
C     0.0165   -1.1373   -2.8260
O     0.0140   -2.3489   -2.8199
H     0.5509   -0.0024    4.6177
H    -0.6012    1.1614    3.9701
H     1.0967    1.1660    3.4191
H    -0.9001   -2.4145    2.7268
H     0.8155   -2.3435    2.2964
H     0.3136   -2.0570    3.9561
H    -0.7343   -0.7741    0.6141
H    -1.6079    1.5880    0.4737
H    -0.4537    2.0993    1.7155
H     0.6282    2.7372   -0.3176
H     1.4789    1.3015    0.2197
H     0.4705    1.7135   -3.4666
H    -1.2357    1.6052   -2.9675
H    -0.2207    2.9031   -2.3564
H     0.7623   -0.9828   -0.8148
H    -0.2617   -0.6070   -3.7442
 27
 33  E= -0.386349E+02
C     0.2558    0.5315    3.6953
C    -0.1065   -0.4130    2.5972
C     0.0301   -1.8686    2.9219
C    -0.5029   -0.0315    1.3761
C    -0.5974    1.3756    0.8803
C     0.5033    1.6300   -0.1792
C     0.2051    0.9530   -1.4847
C    -0.2288    1.8399   -2.6029
C     0.3719   -0.3720   -1.6312
C     0.0208   -1.1334   -2.8333
O     0.0184   -2.3455   -2.8371
H     0.5623    0.0109    4.6144
H    -0.5900    1.1777    3.9591
H     1.0999    1.1718    3.4043
H    -0.9043   -2.4140    2.7359
H     0.8107   -2.3393    2.3010
H     0.3074   -2.0455    3.9692
H    -0.7416   -0.7787    0.6165
H    -1.6038    1.5771    0.4585
H    -0.4734    2.1040    1.7111
H     0.6534    2.7180   -0.3051
H     1.4706    1.2674    0.2332
H     0.4520    1.7269   -3.4602
H    -1.2452    1.6029   -2.9490
H    -0.2313    2.9008   -2.3372
H     0.7731   -0.9830   -0.8217
H    -0.2552   -0.5953   -3.7479
 27
 34  E= -0.387750E+02
C     0.2662    0.5487    3.6830
C    -0.1110   -0.4140    2.6010
C     0.0198   -1.8592    2.9379
C    -0.5098   -0.0374    1.3793
C    -0.6016    1.3693    0.8735
C     0.5134    1.6056   -0.1666
C     0.2105    0.9468   -1.4803
C    -0.2433    1.8435   -2.5821
C     0.3806   -0.3765   -1.6418
C     0.0283   -1.1285   -2.8508
O     0.0254   -2.3392   -2.8639
H     0.5815    0.0372    4.6115
H    -0.5718    1.2083    3.9446
H     1.1060    1.1833    3.3776
H    -0.9122   -2.4135    2.7519
H     0.8010   -2.3323    2.3158
H     0.2960   -2.0290    3.9855
H    -0.7559   -0.7847    0.6306
H    -1.5975    1.5574    0.4310
H    -0.5071    2.1108    1.6950
H     0.6968    2.6857   -0.2861
H     1.4591    1.2081    0.2536
H     0.4204    1.7507   -3.4605
H    -1.2623    1.5991   -2.9181
H    -0.2503    2.9027   -2.3020
H     0.7911   -0.9869   -0.8308
H    -0.2445   -0.5744   -3.7573
 27
 35  E= -0.388666E+02
C     0.2783    0.5625    3.6738
C    -0.1166   -0.4043    2.6110
C     0.0094   -1.8549    2.9545
C    -0.5198   -0.0390    1.3877
C    -0.6099    1.3560    0.8678
C     0.5264    1.5816   -0.1568
C     0.2165    0.9391   -1.4790
C    -0.2602    1.8470   -2.5628
C     0.3929   -0.3824   -1.6513
C     0.0382   -1.1211   -2.8680
O     0.0327   -2.3320   -2.8983
H     0.6034    0.0727    4.5969
H    -0.5511    1.2422    3.9321
H     1.1161    1.1966    3.3429
H    -0.9212   -2.4109    2.7741
H     0.7891   -2.3263    2.3439
H     0.2826   -2.0126    4.0024
H    -0.7733   -0.7934    0.6417
H    -1.5954    1.5364    0.3947
H    -0.5450    2.1176    1.6769
H     0.7505    2.6509   -0.2642
H     1.4512    1.1375    0.2791
H     0.3841    1.7775   -3.4539
H    -1.2834    1.5970   -2.8812
H    -0.2732    2.9053   -2.2618
H     0.8121   -0.9961   -0.8532
H    -0.2323   -0.5526   -3.7734
 27
 36  E= -0.390195E+02
C     0.2790    0.5682    3.6713
C    -0.1161   -0.4038    2.6116
C     0.0085   -1.8561    2.9576
C    -0.5213   -0.0389    1.3881
C    -0.6114    1.3563    0.8654
C     0.5300    1.5742   -0.1532
C     0.2184    0.9397   -1.4770
C    -0.2621    1.8473   -2.5582
C     0.3943   -0.3805   -1.6538
C     0.0395   -1.1195   -2.8699
O     0.0330   -2.3298   -2.9010
H     0.6041    0.0812    4.5982
H    -0.5497    1.2429    3.9293
H     1.1164    1.1982    3.3360
H    -0.9222   -2.4106    2.7745
H     0.7884   -2.3305    2.3440
H     0.2809   -2.0183    4.0071
H    -0.7781   -0.7960    0.6449
H    -1.5962    1.5320    0.3896
H    -0.5474    2.1148    1.6698
H     0.7538    2.6533   -0.2622
H     1.4542    1.1346    0.2746
H     0.3795    1.7796   -3.4492
H    -1.2857    1.5949   -2.8756
H    -0.2765    2.9025   -2.2619
H     0.8104   -1.0019   -0.8576
H    -0.2315   -0.5526   -3.7712
 27
 37  E= -0.391141E+02
C     0.2787    0.5705    3.6724
C    -0.1137   -0.4030    2.6130
C     0.0086   -1.8562    2.9576
C    -0.5219   -0.0400    1.3891
C    -0.6090    1.3551    0.8625
C     0.5331    1.5754   -0.1536
C     0.2206    0.9401   -1.4768
C    -0.2629    1.8452   -2.5579
C     0.3945   -0.3796   -1.6538
C     0.0392   -1.1182   -2.8699
O     0.0322   -2.3280   -2.8981
H     0.6000    0.0838    4.6024
H    -0.5519    1.2393    3.9301
H     1.1139    1.2002    3.3374
H    -0.9228   -2.4085    2.7697
H     0.7887   -2.3339    2.3390
H     0.2799   -2.0283    4.0078
H    -0.7883   -0.7992    0.6506
H    -1.5946    1.5270    0.3839
H    -0.5446    2.1124    1.6643
H     0.7429    2.6556   -0.2620
H     1.4606    1.1396    0.2656
H     0.3786    1.7830   -3.4517
H    -1.2844    1.5931   -2.8725
H    -0.2763    2.9037   -2.2605
H     0.8059   -1.0063   -0.8570
H    -0.2328   -0.5525   -3.7699
 27
 38  E= -0.392194E+02
C     0.2871    0.5851    3.6654
C    -0.1146   -0.3996    2.6172
C     0.0038   -1.8496    2.9684
C    -0.5324   -0.0457    1.3931
C    -0.6137    1.3461    0.8516
C     0.5463    1.5566   -0.1473
C     0.2272    0.9349   -1.4752
C    -0.2754    1.8492   -2.5415
C     0.4031   -0.3831   -1.6614
C     0.0452   -1.1109   -2.8830
O     0.0360   -2.3205   -2.9144
H     0.6094    0.1074    4.6020
H    -0.5421    1.2549    3.9268
H     1.1194    1.2113    3.3177
H    -0.9302   -2.3984    2.7799
H     0.7818   -2.3349    2.3583
H     0.2697   -2.0275    4.0168
H    -0.8117   -0.8109    0.6674
H    -1.5932    1.5085    0.3523
H    -0.5634    2.1095    1.6477
H     0.7647    2.6422   -0.2470
H     1.4692    1.1020    0.2725
H     0.3557    1.8023   -3.4447
H    -1.2986    1.5903   -2.8454
H    -0.2912    2.9037   -2.2328
H     0.8140   -1.0210   -0.8685
H    -0.2262   -0.5391   -3.7781
 27
 39  E= -0.393003E+02
C     0.2903    0.5922    3.6580
C    -0.1129   -0.3977    2.6177
C     0.0011   -1.8476    2.9720
C    -0.5365   -0.0493    1.3944
C    -0.6129    1.3371    0.8456
C     0.5549    1.5519   -0.1444
C     0.2330    0.9334   -1.4724
C    -0.2799    1.8485   -2.5310
C     0.4056   -0.3842   -1.6615
C     0.0469   -1.1065   -2.8846
O     0.0372   -2.3163   -2.9228
H     0.6111    0.1238    4.5967
H    -0.5402    1.2645    3.9170
H     1.1195    1.2208    3.3055
H    -0.9348   -2.3912    2.7802
H     0.7777   -2.3362    2.3639
H     0.2629   -2.0295    4.0205
H    -0.8281   -0.8186    0.6780
H    -1.5864    1.4956    0.3377
H    -0.5710    2.1049    1.6389
H     0.7678    2.6333   -0.2391
H     1.4756    1.0923    0.2731
H     0.3421    1.8113   -3.4376
H    -1.3058    1.5843   -2.8308
H    -0.2993    2.9021   -2.2182
H     0.8101   -1.0248   -0.8721
H    -0.2234   -0.5304   -3.7777
 27
 40  E= -0.393642E+02
C     0.2972    0.6049    3.6488
C    -0.1145   -0.3928    2.6191
C    -0.0046   -1.8405    2.9842
C    -0.5459   -0.0565    1.3952
C    -0.6168    1.3263    0.8397
C     0.5654    1.5385   -0.1375
C     0.2387    0.9284   -1.4690
C    -0.2914    1.8499   -2.5146
C     0.4122   -0.3888   -1.6666
C     0.0520   -1.1012   -2.8953
O     0.0409   -2.3115   -2.9451
H     0.6230    0.1419    4.5878
H    -0.5305    1.2810    3.9052
H     1.1265    1.2302    3.2868
H    -0.9426   -2.3799    2.7914
H     0.7727   -2.3356    2.3780
H     0.2534   -2.0150    4.0356
H    -0.8421   -0.8287    0.6846
H    -1.5831    1.4834    0.3143
H    -0.5883    2.0999    1.6326
H     0.7946    2.6149   -0.2241
H     1.4789    1.0627    0.2889
H     0.3223    1.8239   -3.4296
H    -1.3193    1.5834   -2.8046
H    -0.3139    2.9010   -2.1888
H     0.8177   -1.0304   -0.8816
H    -0.2162   -0.5169   -3.7860
 27
 41  E= -0.394254E+02
C     0.2978    0.6080    3.6437
C    -0.1129   -0.3915    2.6165
C    -0.0048   -1.8373    2.9862
C    -0.5493   -0.0616    1.3935
C    -0.6142    1.3204    0.8380
C     0.5685    1.5357   -0.1364
C     0.2425    0.9267   -1.4681
C    -0.2938    1.8508   -2.5084
C     0.4122   -0.3909   -1.6663
C     0.0523   -1.0999   -2.8971
O     0.0412   -2.3099   -2.9511
H     0.6241    0.1451    4.5822
H    -0.5323    1.2848    3.8959
H     1.1276    1.2351    3.2852
H    -0.9470   -2.3703    2.7931
H     0.7715   -2.3343    2.3858
H     0.2492   -2.0059    4.0376
H    -0.8514   -0.8348    0.6863
H    -1.5773    1.4799    0.3099
H    -0.5878    2.0914    1.6342
H     0.7936    2.6120   -0.2199
H     1.4846    1.0719    0.2931
H     0.3181    1.8245   -3.4232
H    -1.3221    1.5824   -2.7938
H    -0.3184    2.8975   -2.1780
H     0.8139   -1.0301   -0.8786
H    -0.2149   -0.5123   -3.7873
 27
 42  E= -0.394616E+02
C     0.3004    0.6124    3.6391
C    -0.1134   -0.3903    2.6151
C    -0.0070   -1.8340    2.9932
C    -0.5532   -0.0649    1.3919
C    -0.6161    1.3176    0.8358
C     0.5712    1.5303   -0.1328
C     0.2446    0.9239   -1.4653
C    -0.2971    1.8508   -2.5002
C     0.4147   -0.3927   -1.6704
C     0.0547   -1.0986   -2.9036
O     0.0424   -2.3080   -2.9621
H     0.6297    0.1508    4.5785
H    -0.5300    1.2903    3.8913
H     1.1315    1.2372    3.2798
H    -0.9507   -2.3646    2.8018
H     0.7705   -2.3341    2.3957
H     0.2454   -1.9947    4.0472
H    -0.8578   -0.8396    0.6870
H    -1.5760    1.4775    0.3055
H    -0.5921    2.0858    1.6327
H     0.8045    2.6066   -0.2161
H     1.4867    1.0689    0.2995
H     0.3112    1.8276   -3.4170
H    -1.3278    1.5838   -2.7830
H    -0.3251    2.8965   -2.1660
H     0.8172   -1.0341   -0.8839
H    -0.2122   -0.5088   -3.7913
 27
 43  E= -0.394870E+02
C     0.3018    0.6162    3.6363
C    -0.1136   -0.3896    2.6155
C    -0.0095   -1.8309    2.9999
C    -0.5553   -0.0680    1.3920
C    -0.6158    1.3151    0.8354
C     0.5730    1.5259   -0.1302
C     0.2465    0.9213   -1.4638
C    -0.2996    1.8509   -2.4940
C     0.4169   -0.3939   -1.6748
C     0.0569   -1.0977   -2.9099
O     0.0434   -2.3065   -2.9724
H     0.6337    0.1553    4.5758
H    -0.5282    1.2927    3.8870
H     1.1338    1.2379    3.2762
H    -0.9538   -2.3619    2.8115
H     0.7698   -2.3341    2.4066
H     0.2418   -1.9849    4.0547
H    -0.8668   -0.8427    0.6899
H    -1.5750    1.4761    0.3007
H    -0.5945    2.0824    1.6320
H     0.8103    2.6031   -0.2161
H     1.4876    1.0700    0.3015
H     0.3053    1.8320   -3.4139
H    -1.3312    1.5853   -2.7731
H    -0.3306    2.8956   -2.1566
H     0.8204   -1.0394   -0.8904
H    -0.2103   -0.5063   -3.7955
 27
 44  E= -0.395067E+02
C     0.3039    0.6179    3.6341
C    -0.1143   -0.3892    2.6157
C    -0.0123   -1.8293    3.0074
C    -0.5569   -0.0690    1.3920
C    -0.6160    1.3141    0.8334
C     0.5743    1.5226   -0.1296
C     0.2476    0.9185   -1.4634
C    -0.3024    1.8513   -2.4890
C     0.4195   -0.3955   -1.6787
C     0.0591   -1.0962   -2.9158
O     0.0450   -2.3046   -2.9806
H     0.6375    0.1596    4.5747
H    -0.5258    1.2954    3.8853
H     1.1358    1.2383    3.2708
H    -0.9563   -2.3616    2.8214
H     0.7687   -2.3343    2.4172
H     0.2386   -1.9764    4.0642
H    -0.8750   -0.8451    0.6939
H    -1.5739    1.4743    0.2991
H    -0.5974    2.0804    1.6291
H     0.8155    2.5995   -0.2157
H     1.4879    1.0660    0.3045
H     0.2990    1.8377   -3.4109
H    -1.3342    1.5862   -2.7642
H    -0.3353    2.8955   -2.1477
H     0.8250   -1.0451   -0.8977
H    -0.2083   -0.5028   -3.7996
 27
 45  E= -0.395315E+02
C     0.3070    0.6206    3.6306
C    -0.1158   -0.3896    2.6170
C    -0.0163   -1.8272    3.0172
C    -0.5587   -0.0706    1.3930
C    -0.6157    1.3119    0.8323
C     0.5764    1.5190   -0.1291
C     0.2489    0.9154   -1.4632
C    -0.3058    1.8518   -2.4831
C     0.4231   -0.3975   -1.6835
C     0.0618   -1.0936   -2.9229
O     0.0473   -2.3020   -2.9911
H     0.6420    0.1660    4.5719
H    -0.5225    1.2984    3.8825
H     1.1374    1.2384    3.2616
H    -0.9591   -2.3631    2.8348
H     0.7668   -2.3357    2.4324
H     0.2340   -1.9659    4.0755
H    -0.8855   -0.8468    0.6995
H    -1.5728    1.4724    0.2956
H    -0.6004    2.0798    1.6267
H     0.8204    2.5953   -0.2162
H     1.4875    1.0592    0.3063
H     0.2906    1.8454   -3.4073
H    -1.3381    1.5854   -2.7553
H    -0.3408    2.8950   -2.1371
H     0.8307   -1.0521   -0.9078
H    -0.2056   -0.4972   -3.8049
 27
 46  E= -0.395541E+02
C     0.3110    0.6244    3.6246
C    -0.1179   -0.3904    2.6182
C    -0.0215   -1.8246    3.0302
C    -0.5620   -0.0733    1.3943
C    -0.6148    1.3085    0.8307
C     0.5801    1.5139   -0.1283
C     0.2511    0.9119   -1.4630
C    -0.3114    1.8520   -2.4754
C     0.4274   -0.3999   -1.6883
C     0.0650   -1.0892   -2.9310
O     0.0506   -2.2976   -3.0051
H     0.6481    0.1755    4.5676
H    -0.5174    1.3034    3.8763
H     1.1396    1.2398    3.2454
H    -0.9626   -2.3646    2.8515
H     0.7634   -2.3389    2.4534
H     0.2271   -1.9520    4.0906
H    -0.8978   -0.8490    0.7052
H    -1.5705    1.4697    0.2909
H    -0.6033    2.0786    1.6241
H     0.8259    2.5891   -0.2145
H     1.4877    1.0482    0.3090
H     0.2794    1.8548   -3.4030
H    -1.3435    1.5821   -2.7438
H    -0.3477    2.8928   -2.1225
H     0.8372   -1.0596   -0.9188
H    -0.2015   -0.4882   -3.8105
 27
 47  E= -0.395703E+02
C     0.3127    0.6249    3.6211
C    -0.1192   -0.3920    2.6183
C    -0.0234   -1.8242    3.0363
C    -0.5633   -0.0745    1.3946
C    -0.6135    1.3075    0.8316
C     0.5803    1.5132   -0.1288
C     0.2514    0.9111   -1.4633
C    -0.3131    1.8512   -2.4743
C     0.4286   -0.4006   -1.6895
C     0.0657   -1.0870   -2.9334
O     0.0522   -2.2953   -3.0097
H     0.6499    0.1776    4.5639
H    -0.5159    1.3038    3.8737
H     1.1395    1.2388    3.2392
H    -0.9632   -2.3663    2.8592
H     0.7621   -2.3422    2.4640
H     0.2239   -1.9452    4.0978
H    -0.9007   -0.8484    0.7054
H    -1.5693    1.4713    0.2928
H    -0.5995    2.0782    1.6254
H     0.8228    2.5888   -0.2149
H     1.4882    1.0466    0.3079
H     0.2771    1.8568   -3.4017
H    -1.3446    1.5790   -2.7434
H    -0.3487    2.8909   -2.1192
H     0.8391   -1.0608   -0.9217
H    -0.2001   -0.4840   -3.8120
 27
 48  E= -0.395896E+02
C     0.3153    0.6275    3.6159
C    -0.1214   -0.3936    2.6189
C    -0.0263   -1.8230    3.0461
C    -0.5669   -0.0773    1.3954
C    -0.6127    1.3053    0.8326
C     0.5822    1.5091   -0.1275
C     0.2525    0.9097   -1.4628
C    -0.3171    1.8499   -2.4713
C     0.4310   -0.4013   -1.6918
C     0.0677   -1.0831   -2.9382
O     0.0546   -2.2911   -3.0195
H     0.6554    0.1845    4.5600
H    -0.5118    1.3081    3.8678
H     1.1412    1.2397    3.2258
H    -0.9650   -2.3671    2.8706
H     0.7592   -2.3475    2.4808
H     0.2177   -1.9358    4.1092
H    -0.9044   -0.8490    0.7040
H    -1.5679    1.4721    0.2929
H    -0.5958    2.0771    1.6265
H     0.8233    2.5850   -0.2114
H     1.4892    1.0398    0.3078
H     0.2716    1.8595   -3.3998
H    -1.3483    1.5738   -2.7402
H    -0.3524    2.8877   -2.1128
H     0.8426   -1.0618   -0.9255
H    -0.1971   -0.4763   -3.8150
 27
 49  E= -0.396037E+02
C     0.3182    0.6312    3.6109
C    -0.1235   -0.3942    2.6199
C    -0.0292   -1.8213    3.0551
C    -0.5709   -0.0800    1.3965
C    -0.6127    1.3025    0.8332
C     0.5836    1.5034   -0.1255
C     0.2531    0.9083   -1.4623
C    -0.3211    1.8486   -2.4681
C     0.4336   -0.4019   -1.6948
C     0.0703   -1.0796   -2.9434
O     0.0568   -2.2872   -3.0303
H     0.6619    0.1912    4.5547
H    -0.5070    1.3137    3.8635
H     1.1433    1.2403    3.2172
H    -0.9673   -2.3658    2.8807
H     0.7565   -2.3514    2.4955
H     0.2114   -1.9268    4.1201
H    -0.9075   -0.8507    0.7039
H    -1.5666    1.4724    0.2928
H    -0.5925    2.0749    1.6266
H     0.8259    2.5798   -0.2070
H     1.4904    1.0320    0.3091
H     0.2664    1.8618   -3.3982
H    -1.3522    1.5702   -2.7357
H    -0.3568    2.8854   -2.1070
H     0.8471   -1.0619   -0.9292
H    -0.1941   -0.4691   -3.8175
 27
 50  E= -0.396169E+02
C     0.3199    0.6338    3.6092
C    -0.1250   -0.3942    2.6219
C    -0.0316   -1.8199    3.0619
C    -0.5739   -0.0821    1.3984
C    -0.6127    1.3003    0.8340
C     0.5838    1.4985   -0.1243
C     0.2529    0.9071   -1.4624
C    -0.3238    1.8477   -2.4664
C     0.4360   -0.4020   -1.6983
C     0.0730   -1.0773   -2.9486
O     0.0584   -2.2842   -3.0390
H     0.6681    0.1964    4.5530
H    -0.5027    1.3189    3.8614
H     1.1454    1.2410    3.2114
H    -0.9696   -2.3644    2.8878
H     0.7546   -2.3536    2.5063
H     0.2060   -1.9214    4.1280
H    -0.9099   -0.8527    0.7052
H    -1.5660    1.4728    0.2942
H    -0.5886    2.0730    1.6264
H     0.8276    2.5748   -0.2040
H     1.4909    1.0266    0.3088
H     0.2628    1.8627   -3.3970
H    -1.3550    1.5681   -2.7329
H    -0.3609    2.8842   -2.1049
H     0.8515   -1.0614   -0.9329
H    -0.1919   -0.4636   -3.8204
 27
 51  E= -0.396344E+02
C     0.3231    0.6380    3.6085
C    -0.1272   -0.3931    2.6264
C    -0.0357   -1.8176    3.0713
C    -0.5776   -0.0846    1.4023
C    -0.6134    1.2968    0.8347
C     0.5841    1.4905   -0.1232
C     0.2521    0.9050   -1.4633
C    -0.3279    1.8473   -2.4639
C     0.4402   -0.4023   -1.7045
C     0.0774   -1.0740   -2.9567
O     0.0608   -2.2803   -3.0523
H     0.6777    0.2043    4.5519
H    -0.4959    1.3274    3.8619
H     1.1486    1.2421    3.2059
H    -0.9737   -2.3615    2.8960
H     0.7516   -2.3539    2.5197
H     0.1980   -1.9161    4.1386
H    -0.9148   -0.8570    0.7114
H    -1.5658    1.4714    0.2948
H    -0.5851    2.0707    1.6252
H     0.8324    2.5662   -0.2004
H     1.4904    1.0160    0.3084
H     0.2568    1.8651   -3.3960
H    -1.3592    1.5669   -2.7280
H    -0.3677    2.8839   -2.1015
H     0.8597   -1.0616   -0.9407
H    -0.1887   -0.4567   -3.8253
 27
 52  E= -0.396539E+02
C     0.3270    0.6428    3.6096
C    -0.1297   -0.3912    2.6333
C    -0.0415   -1.8147    3.0824
C    -0.5810   -0.0873    1.4082
C    -0.6133    1.2923    0.8356
C     0.5835    1.4820   -0.1231
C     0.2506    0.9023   -1.4651
C    -0.3324    1.8470   -2.4614
C     0.4456   -0.4027   -1.7129
C     0.0826   -1.0703   -2.9674
O     0.0640   -2.2761   -3.0676
H     0.6888    0.2126    4.5522
H    -0.4876    1.3362    3.8642
H     1.1523    1.2430    3.1996
H    -0.9794   -2.3583    2.9046
H     0.7482   -2.3526    2.5349
H     0.1880   -1.9113    4.1507
H    -0.9217   -0.8625    0.7223
H    -1.5659    1.4692    0.2972
H    -0.5800    2.0676    1.6240
H     0.8369    2.5566   -0.1984
H     1.4889    1.0036    0.3071
H     0.2501    1.8676   -3.3945
H    -1.3638    1.5660   -2.7238
H    -0.3759    2.8835   -2.0980
H     0.8703   -1.0630   -0.9527
H    -0.1848   -0.4487   -3.8327
 27
 53  E= -0.396732E+02
C     0.3330    0.6487    3.6098
C    -0.1329   -0.3888    2.6415
C    -0.0495   -1.8109    3.0964
C    -0.5846   -0.0904    1.4151
C    -0.6131    1.2865    0.8363
C     0.5841    1.4721   -0.1233
C     0.2495    0.8985   -1.4674
C    -0.3390    1.8469   -2.4572
C     0.4523   -0.4038   -1.7232
C     0.0886   -1.0652   -2.9806
O     0.0686   -2.2706   -3.0863
H     0.7017    0.2235    4.5519
H    -0.4776    1.3466    3.8675
H     1.1565    1.2446    3.1902
H    -0.9870   -2.3543    2.9149
H     0.7435   -2.3496    2.5541
H     0.1752   -1.9052    4.1660
H    -0.9319   -0.8695    0.7369
H    -1.5658    1.4647    0.2985
H    -0.5762    2.0638    1.6234
H     0.8438    2.5452   -0.1962
H     1.4860    0.9871    0.3060
H     0.2406    1.8721   -3.3923
H    -1.3700    1.5647   -2.7178
H    -0.3863    2.8823   -2.0898
H     0.8833   -1.0667   -0.9690
H    -0.1795   -0.4392   -3.8425
 27
 54  E= -0.396886E+02
C     0.3395    0.6545    3.6094
C    -0.1357   -0.3863    2.6494
C    -0.0581   -1.8065    3.1104
C    -0.5876   -0.0937    1.4216
C    -0.6120    1.2807    0.8369
C     0.5844    1.4637   -0.1234
C     0.2486    0.8948   -1.4691
C    -0.3457    1.8463   -2.4525
C     0.4584   -0.4049   -1.7330
C     0.0938   -1.0600   -2.9935
O     0.0739   -2.2651   -3.1044
H     0.7135    0.2331    4.5507
H    -0.4679    1.3547    3.8699
H     1.1605    1.2464    3.1793
H    -0.9951   -2.3501    2.9249
H     0.7386   -2.3459    2.5738
H     0.1617   -1.8982    4.1811
H    -0.9418   -0.8759    0.7510
H    -1.5655    1.4598    0.3002
H    -0.5727    2.0593    1.6231
H     0.8501    2.5353   -0.1948
H     1.4829    0.9711    0.3059
H     0.2313    1.8767   -3.3886
H    -1.3764    1.5625   -2.7131
H    -0.3958    2.8793   -2.0797
H     0.8955   -1.0714   -0.9860
H    -0.1737   -0.4300   -3.8530
 27
 55  E= -0.396980E+02
C     0.3435    0.6569    3.6081
C    -0.1367   -0.3851    2.6525
C    -0.0629   -1.8040    3.1173
C    -0.5886   -0.0951    1.4243
C    -0.6115    1.2781    0.8375
C     0.5852    1.4599   -0.1234
C     0.2483    0.8926   -1.4696
C    -0.3498    1.8453   -2.4497
C     0.4607   -0.4056   -1.7377
C     0.0959   -1.0571   -2.9998
O     0.0773   -2.2620   -3.1128
H     0.7188    0.2373    4.5493
H    -0.4632    1.3577    3.8709
H     1.1625    1.2478    3.1733
H    -0.9995   -2.3474    2.9295
H     0.7356   -2.3436    2.5841
H     0.1540   -1.8943    4.1886
H    -0.9462   -0.8782    0.7567
H    -1.5651    1.4566    0.3009
H    -0.5718    2.0572    1.6239
H     0.8536    2.5310   -0.1936
H     1.4807    0.9633    0.3061
H     0.2267    1.8791   -3.3862
H    -1.3800    1.5605   -2.7109
H    -0.4002    2.8764   -2.0725
H     0.9010   -1.0741   -0.9947
H    -0.1703   -0.4258   -3.8588
 27
 56  E= -0.397066E+02
C     0.3473    0.6592    3.6064
C    -0.1370   -0.3840    2.6543
C    -0.0669   -1.8015    3.1229
C    -0.5895   -0.0962    1.4258
C    -0.6112    1.2763    0.8373
C     0.5861    1.4566   -0.1225
C     0.2484    0.8908   -1.4691
C    -0.3538    1.8441   -2.4462
C     0.4621   -0.4064   -1.7410
C     0.0973   -1.0548   -3.0049
O     0.0806   -2.2597   -3.1204
H     0.7231    0.2402    4.5475
H    -0.4591    1.3594    3.8708
H     1.1645    1.2497    3.1682
H    -1.0036   -2.3442    2.9332
H     0.7327   -2.3421    2.5928
H     0.1467   -1.8901    4.1950
H    -0.9491   -0.8791    0.7594
H    -1.5648    1.4533    0.2997
H    -0.5727    2.0558    1.6235
H     0.8578    2.5271   -0.1915
H     1.4792    0.9560    0.3078
H     0.2225    1.8819   -3.3829
H    -1.3837    1.5579   -2.7081
H    -0.4038    2.8731   -2.0648
H     0.9048   -1.0768   -1.0014
H    -0.1670   -0.4226   -3.8638
 27
 57  E= -0.397155E+02
C     0.3559    0.6656    3.6022
C    -0.1383   -0.3814    2.6591
C    -0.0762   -1.7956    3.1382
C    -0.5932   -0.0990    1.4303
C    -0.6116    1.2714    0.8368
C     0.5891    1.4459   -0.1200
C     0.2484    0.8859   -1.4685
C    -0.3635    1.8419   -2.4373
C     0.4668   -0.4085   -1.7503
C     0.1026   -1.0489   -3.0188
O     0.0880   -2.2532   -3.1414
H     0.7361    0.2500    4.5431
H    -0.4482    1.3672    3.8699
H     1.1701    1.2541    3.1553
H    -1.0130   -2.3367    2.9455
H     0.7259   -2.3408    2.6168
H     0.1289   -1.8783    4.2125
H    -0.9576   -0.8824    0.7671
H    -1.5637    1.4462    0.2962
H    -0.5747    2.0532    1.6208
H     0.8694    2.5148   -0.1854
H     1.4767    0.9369    0.3109
H     0.2104    1.8896   -3.3756
H    -1.3932    1.5521   -2.6977
H    -0.4146    2.8672   -2.0470
H     0.9156   -1.0826   -1.0177
H    -0.1592   -0.4125   -3.8753
 27
 58  E= -0.397248E+02
C     0.3586    0.6655    3.6031
C    -0.1372   -0.3804    2.6607
C    -0.0792   -1.7938    3.1413
C    -0.5925   -0.0982    1.4322
C    -0.6112    1.2716    0.8377
C     0.5879    1.4438   -0.1204
C     0.2467    0.8845   -1.4688
C    -0.3659    1.8400   -2.4364
C     0.4665   -0.4087   -1.7530
C     0.1041   -1.0478   -3.0225
O     0.0910   -2.2517   -3.1467
H     0.7400    0.2485    4.5427
H    -0.4452    1.3665    3.8725
H     1.1717    1.2548    3.1566
H    -1.0166   -2.3330    2.9459
H     0.7235   -2.3408    2.6234
H     0.1207   -1.8761    4.2163
H    -0.9568   -0.8808    0.7683
H    -1.5639    1.4451    0.2983
H    -0.5727    2.0541    1.6204
H     0.8691    2.5122   -0.1856
H     1.4755    0.9351    0.3096
H     0.2095    1.8901   -3.3732
H    -1.3948    1.5490   -2.6976
H    -0.4167    2.8644   -2.0447
H     0.9177   -1.0829   -1.0220
H    -0.1569   -0.4112   -3.8787
 27
 59  E= -0.397443E+02
C     0.3688    0.6718    3.6022
C    -0.1363   -0.3767    2.6671
C    -0.0902   -1.7873    3.1579
C    -0.5956   -0.0987    1.4391
C    -0.6123    1.2681    0.8372
C     0.5894    1.4301   -0.1184
C     0.2447    0.8778   -1.4685
C    -0.3772    1.8371   -2.4264
C     0.4709   -0.4115   -1.7645
C     0.1118   -1.0422   -3.0396
O     0.1007   -2.2449   -3.1734
H     0.7580    0.2564    4.5397
H    -0.4318    1.3747    3.8754
H     1.1794    1.2596    3.1488
H    -1.0292   -2.3215    2.9560
H     0.7146   -2.3428    2.6527
H     0.0945   -1.8631    4.2362
H    -0.9636   -0.8820    0.7779
H    -1.5636    1.4376    0.2937
H    -0.5751    2.0558    1.6137
H     0.8810    2.4959   -0.1809
H     1.4735    0.9146    0.3111
H     0.1957    1.8992   -3.3640
H    -1.4056    1.5404   -2.6847
H    -0.4310    2.8585   -2.0270
H     0.9290   -1.0884   -1.0399
H    -0.1476   -0.3998   -3.8919
 27
 60  E= -0.397607E+02
C     0.3755    0.6752    3.6039
C    -0.1351   -0.3741    2.6724
C    -0.0979   -1.7835    3.1680
C    -0.5965   -0.0978    1.4450
C    -0.6132    1.2663    0.8372
C     0.5898    1.4215   -0.1184
C     0.2426    0.8731   -1.4694
C    -0.3844    1.8353   -2.4208
C     0.4739   -0.4136   -1.7724
C     0.1178   -1.0388   -3.0510
O     0.1075   -2.2407   -3.1913
H     0.7710    0.2606    4.5392
H    -0.4229    1.3796    3.8796
H     1.1846    1.2619    3.1456
H    -1.0380   -2.3139    2.9600
H     0.7086   -2.3461    2.6729
H     0.0752   -1.8555    4.2484
H    -0.9673   -0.8825    0.7870
H    -1.5637    1.4336    0.2924
H    -0.5761    2.0589    1.6087
H     0.8872    2.4855   -0.1809
H     1.4724    0.9027    0.3104
H     0.1863    1.9045   -3.3593
H    -1.4119    1.5347   -2.6767
H    -0.4418    2.8556   -2.0174
H     0.9354   -1.0921   -1.0514
H    -0.1418   -0.3919   -3.8999
 27
 61  E= -0.397767E+02
C     0.3867    0.6807    3.6059
C    -0.1341   -0.3702    2.6817
C    -0.1114   -1.7775    3.1861
C    -0.5982   -0.0974    1.4543
C    -0.6127    1.2625    0.8375
C     0.5903    1.4085   -0.1191
C     0.2397    0.8656   -1.4712
C    -0.3962    1.8325   -2.4122
C     0.4795   -0.4170   -1.7852
C     0.1271   -1.0327   -3.0696
O     0.1186   -2.2334   -3.2209
H     0.7923    0.2685    4.5382
H    -0.4084    1.3876    3.8871
H     1.1926    1.2649    3.1383
H    -1.0525   -2.3025    2.9669
H     0.6987   -2.3502    2.7079
H     0.0438   -1.8422    4.2702
H    -0.9754   -0.8858    0.8041
H    -1.5636    1.4277    0.2911
H    -0.5757    2.0615    1.6026
H     0.8952    2.4701   -0.1824
H     1.4704    0.8837    0.3088
H     0.1703    1.9127   -3.3523
H    -1.4222    1.5263   -2.6661
H    -0.4605    2.8501   -2.0016
H     0.9460   -1.0989   -1.0707
H    -0.1323   -0.3779   -3.9129
 27
 62  E= -0.397866E+02
C     0.3882    0.6795    3.6083
C    -0.1330   -0.3699    2.6833
C    -0.1138   -1.7775    3.1864
C    -0.5963   -0.0962    1.4558
C    -0.6119    1.2631    0.8382
C     0.5896    1.4095   -0.1209
C     0.2387    0.8649   -1.4724
C    -0.3971    1.8315   -2.4135
C     0.4791   -0.4175   -1.7855
C     0.1281   -1.0324   -3.0704
O     0.1206   -2.2329   -3.2227
H     0.7953    0.2664    4.5393
H    -0.4071    1.3856    3.8912
H     1.1932    1.2639    3.1399
H    -1.0545   -2.3013    2.9627
H     0.6971   -2.3521    2.7127
H     0.0370   -1.8419    4.2705
H    -0.9735   -0.8855    0.8073
H    -1.5637    1.4290    0.2941
H    -0.5741    2.0631    1.6029
H     0.8925    2.4714   -0.1868
H     1.4702    0.8856    0.3066
H     0.1689    1.9117   -3.3535
H    -1.4223    1.5249   -2.6688
H    -0.4641    2.8490   -2.0027
H     0.9437   -1.0996   -1.0705
H    -0.1316   -0.3765   -3.9129
 27
 63  E= -0.398025E+02
C     0.3991    0.6817    3.6102
C    -0.1319   -0.3676    2.6908
C    -0.1280   -1.7726    3.2018
C    -0.5949   -0.0963    1.4626
C    -0.6089    1.2603    0.8398
C     0.5901    1.4034   -0.1234
C     0.2365    0.8594   -1.4746
C    -0.4076    1.8271   -2.4097
C     0.4824   -0.4207   -1.7935
C     0.1353   -1.0265   -3.0837
O     0.1319   -2.2258   -3.2466
H     0.8148    0.2698    4.5377
H    -0.3943    1.3875    3.9005
H     1.1996    1.2646    3.1323
H    -1.0675   -2.2926    2.9637
H     0.6873   -2.3566    2.7473
H     0.0041   -1.8294    4.2891
H    -0.9767   -0.8888    0.8209
H    -1.5625    1.4275    0.2986
H    -0.5699    2.0631    1.6025
H     0.8939    2.4652   -0.1927
H     1.4689    0.8759    0.3034
H     0.1545    1.9153   -3.3512
H    -1.4308    1.5164   -2.6670
H    -0.4837    2.8410   -1.9917
H     0.9462   -1.1066   -1.0822
H    -0.1235   -0.3633   -3.9211
 27
 64  E= -0.398129E+02
C     0.3984    0.6784    3.6108
C    -0.1312   -0.3688    2.6886
C    -0.1275   -1.7741    3.1980
C    -0.5921   -0.0961    1.4599
C    -0.6070    1.2622    0.8405
C     0.5894    1.4091   -0.1246
C     0.2366    0.8615   -1.4747
C    -0.4060    1.8261   -2.4139
C     0.4796   -0.4203   -1.7890
C     0.1334   -1.0276   -3.0786
O     0.1315   -2.2269   -3.2400
H     0.8128    0.2644    4.5377
H    -0.3963    1.3822    3.9029
H     1.1983    1.2631    3.1354
H    -1.0658   -2.2945    2.9578
H     0.6879   -2.3565    2.7439
H     0.0036   -1.8316    4.2849
H    -0.9714   -0.8877    0.8157
H    -1.5620    1.4309    0.3013
H    -0.5674    2.0621    1.6062
H     0.8886    2.4723   -0.1953
H     1.4700    0.8845    0.3019
H     0.1571    1.9118   -3.3548
H    -1.4290    1.5159   -2.6737
H    -0.4834    2.8398   -1.9977
H     0.9390   -1.1057   -1.0746
H    -0.1251   -0.3653   -3.9167
 27
 65  E= -0.398289E+02
C     0.4035    0.6753    3.6115
C    -0.1303   -0.3692    2.6887
C    -0.1350   -1.7727    3.2022
C    -0.5879   -0.0968    1.4588
C    -0.6033    1.2630    0.8424
C     0.5891    1.4130   -0.1267
C     0.2354    0.8620   -1.4753
C    -0.4103    1.8219   -2.4178
C     0.4769   -0.4210   -1.7867
C     0.1350   -1.0257   -3.0789
O     0.1374   -2.2243   -3.2445
H     0.8219    0.2581    4.5354
H    -0.3905    1.3761    3.9105
H     1.2009    1.2624    3.1350
H    -1.0709   -2.2927    2.9532
H     0.6838   -2.3574    2.7582
H    -0.0162   -1.8274    4.2910
H    -0.9649   -0.8870    0.8114
H    -1.5599    1.4344    0.3077
H    -0.5606    2.0593    1.6114
H     0.8838    2.4778   -0.1984
H     1.4717    0.8910    0.2982
H     0.1534    1.9094   -3.3581
H    -1.4322    1.5090   -2.6805
H    -0.4938    2.8340   -2.0007
H     0.9310   -1.1077   -1.0701
H    -0.1227   -0.3615   -3.9157
 27
 66  E= -0.398397E+02
C     0.4071    0.6735    3.6127
C    -0.1299   -0.3692    2.6893
C    -0.1401   -1.7720    3.2048
C    -0.5852   -0.0967    1.4585
C    -0.6012    1.2638    0.8432
C     0.5888    1.4144   -0.1279
C     0.2340    0.8624   -1.4757
C    -0.4135    1.8197   -2.4199
C     0.4750   -0.4211   -1.7861
C     0.1367   -1.0250   -3.0796
O     0.1416   -2.2231   -3.2472
H     0.8291    0.2533    4.5339
H    -0.3857    1.3733    3.9171
H     1.2031    1.2627    3.1362
H    -1.0747   -2.2914    2.9503
H     0.6813   -2.3569    2.7664
H    -0.0302   -1.8259    4.2947
H    -0.9606   -0.8861    0.8086
H    -1.5588    1.4354    0.3099
H    -0.5568    2.0585    1.6133
H     0.8824    2.4797   -0.1995
H     1.4732    0.8939    0.2954
H     0.1510    1.9091   -3.3597
H    -1.4347    1.5035   -2.6829
H    -0.5010    2.8318   -2.0039
H     0.9267   -1.1082   -1.0681
H    -0.1210   -0.3598   -3.9157
 27
 67  E= -0.398538E+02
C     0.4116    0.6703    3.6157
C    -0.1298   -0.3691    2.6906
C    -0.1472   -1.7715    3.2076
C    -0.5812   -0.0960    1.4584
C    -0.5982    1.2651    0.8443
C     0.5882    1.4169   -0.1303
C     0.2314    0.8635   -1.4769
C    -0.4179    1.8177   -2.4233
C     0.4722   -0.4207   -1.7853
C     0.1390   -1.0247   -3.0803
O     0.1475   -2.2226   -3.2499
H     0.8395    0.2446    4.5321
H    -0.3787    1.3687    3.9280
H     1.2060    1.2626    3.1393
H    -1.0798   -2.2910    2.9455
H     0.6790   -2.3559    2.7771
H    -0.0497   -1.8253    4.2988
H    -0.9546   -0.8841    0.8055
H    -1.5571    1.4368    0.3139
H    -0.5504    2.0582    1.6151
H     0.8799    2.4826   -0.2027
H     1.4762    0.8999    0.2899
H     0.1486    1.9091   -3.3620
H    -1.4374    1.4951   -2.6862
H    -0.5108    2.8308   -2.0103
H     0.9210   -1.1080   -1.0654
H    -0.1191   -0.3593   -3.9160
 27
 68  E= -0.398642E+02
C     0.4141    0.6670    3.6187
C    -0.1301   -0.3694    2.6915
C    -0.1517   -1.7724    3.2075
C    -0.5778   -0.0946    1.4585
C    -0.5956    1.2668    0.8449
C     0.5877    1.4203   -0.1330
C     0.2292    0.8651   -1.4782
C    -0.4203    1.8173   -2.4265
C     0.4696   -0.4198   -1.7846
C     0.1399   -1.0257   -3.0796
O     0.1514   -2.2237   -3.2480
H     0.8460    0.2365    4.5314
H    -0.3746    1.3645    3.9373
H     1.2071    1.2617    3.1427
H    -1.0823   -2.2925    2.9395
H     0.6788   -2.3552    2.7822
H    -0.0623   -1.8271    4.2996
H    -0.9504   -0.8822    0.8041
H    -1.5561    1.4378    0.3168
H    -0.5455    2.0594    1.6161
H     0.8770    2.4865   -0.2071
H     1.4792    0.9070    0.2850
H     0.1482    1.9093   -3.3642
H    -1.4380    1.4893   -2.6895
H    -0.5170    2.8318   -2.0168
H     0.9161   -1.1066   -1.0627
H    -0.1187   -0.3615   -3.9161
 27
 69  E= -0.398752E+02
C     0.4164    0.6616    3.6231
C    -0.1309   -0.3700    2.6923
C    -0.1568   -1.7743    3.2056
C    -0.5734   -0.0924    1.4581
C    -0.5915    1.2694    0.8458
C     0.5876    1.4267   -0.1371
C     0.2264    0.8679   -1.4802
C    -0.4227    1.8175   -2.4312
C     0.4656   -0.4181   -1.7826
C     0.1401   -1.0280   -3.0767
O     0.1562   -2.2266   -3.2426
H     0.8534    0.2245    4.5304
H    -0.3702    1.3574    3.9497
H     1.2074    1.2594    3.1470
H    -1.0843   -2.2961    2.9288
H     0.6798   -2.3546    2.7877
H    -0.0771   -1.8305    4.2984
H    -0.9451   -0.8794    0.8028
H    -1.5542    1.4399    0.3214
H    -0.5386    2.0617    1.6175
H     0.8717    2.4939   -0.2151
H     1.4839    0.9190    0.2780
H     0.1486    1.9098   -3.3674
H    -1.4377    1.4827   -2.6959
H    -0.5242    2.8338   -2.0254
H     0.9089   -1.1036   -1.0576
H    -0.1191   -0.3668   -3.9155
 27
 70  E= -0.398833E+02
C     0.4174    0.6560    3.6264
C    -0.1319   -0.3713    2.6922
C    -0.1601   -1.7771    3.2019
C    -0.5698   -0.0900    1.4572
C    -0.5873    1.2724    0.8465
C     0.5877    1.4339   -0.1409
C     0.2243    0.8711   -1.4818
C    -0.4240    1.8183   -2.4357
C     0.4615   -0.4162   -1.7803
C     0.1389   -1.0311   -3.0727
O     0.1599   -2.2304   -3.2334
H     0.8581    0.2136    4.5294
H    -0.3678    1.3501    3.9599
H     1.2063    1.2565    3.1502
H    -1.0841   -2.3005    2.9169
H     0.6820   -2.3545    2.7902
H    -0.0875   -1.8347    4.2952
H    -0.9410   -0.8766    0.8011
H    -1.5524    1.4425    0.3254
H    -0.5326    2.0644    1.6190
H     0.8662    2.5024   -0.2227
H     1.4886    0.9320    0.2718
H     0.1502    1.9102   -3.3701
H    -1.4364    1.4785   -2.7034
H    -0.5290    2.8355   -2.0324
H     0.9022   -1.0995   -1.0520
H    -0.1206   -0.3740   -3.9148
 27
 71  E= -0.398928E+02
C     0.4158    0.6538    3.6259
C    -0.1332   -0.3722    2.6906
C    -0.1584   -1.7790    3.1974
C    -0.5703   -0.0891    1.4558
C    -0.5861    1.2736    0.8459
C     0.5891    1.4371   -0.1416
C     0.2245    0.8733   -1.4820
C    -0.4232    1.8205   -2.4362
C     0.4598   -0.4145   -1.7786
C     0.1368   -1.0339   -3.0686
O     0.1596   -2.2339   -3.2248
H     0.8567    0.2108    4.5282
H    -0.3690    1.3477    3.9603
H     1.2038    1.2548    3.1492
H    -1.0807   -2.3042    2.9105
H     0.6852   -2.3542    2.7863
H    -0.0849   -1.8377    4.2903
H    -0.9420   -0.8756    0.7999
H    -1.5511    1.4434    0.3245
H    -0.5325    2.0659    1.6185
H     0.8657    2.5062   -0.2244
H     1.4908    0.9366    0.2709
H     0.1519    1.9123   -3.3702
H    -1.4349    1.4807   -2.7062
H    -0.5279    2.8371   -2.0320
H     0.9015   -1.0956   -1.0489
H    -0.1226   -0.3807   -3.9138
 27
 72  E= -0.399053E+02
C     0.4168    0.6530    3.6234
C    -0.1350   -0.3728    2.6897
C    -0.1595   -1.7796    3.1966
C    -0.5726   -0.0887    1.4553
C    -0.5845    1.2740    0.8452
C     0.5915    1.4372   -0.1416
C     0.2244    0.8745   -1.4822
C    -0.4255    1.8224   -2.4336
C     0.4595   -0.4131   -1.7795
C     0.1362   -1.0358   -3.0678
O     0.1621   -2.2363   -3.2200
H     0.8608    0.2112    4.5247
H    -0.3667    1.3473    3.9602
H     1.2022    1.2532    3.1424
H    -1.0792   -2.3063    2.9042
H     0.6868   -2.3546    2.7905
H    -0.0895   -1.8370    4.2903
H    -0.9464   -0.8752    0.8007
H    -1.5487    1.4441    0.3221
H    -0.5325    2.0671    1.6172
H     0.8691    2.5064   -0.2240
H     1.4925    0.9355    0.2704
H     0.1492    1.9179   -3.3672
H    -1.4364    1.4833   -2.7072
H    -0.5317    2.8363   -2.0239
H     0.9051   -1.0917   -1.0498
H    -0.1226   -0.3860   -3.9155
 27
 73  E= -0.399170E+02
C     0.4219    0.6526    3.6207
C    -0.1364   -0.3727    2.6904
C    -0.1658   -1.7780    3.2006
C    -0.5747   -0.0887    1.4561
C    -0.5823    1.2737    0.8449
C     0.5940    1.4347   -0.1419
C     0.2230    0.8743   -1.4829
C    -0.4320    1.8231   -2.4299
C     0.4600   -0.4122   -1.7823
C     0.1384   -1.0362   -3.0703
O     0.1690   -2.2367   -3.2223
H     0.8731    0.2112    4.5187
H    -0.3587    1.3470    3.9636
H     1.2031    1.2524    3.1331
H    -1.0818   -2.3054    2.8985
H     0.6852   -2.3544    2.8060
H    -0.1076   -1.8319    4.2955
H    -0.9513   -0.8747    0.8025
H    -1.5453    1.4452    0.3204
H    -0.5305    2.0673    1.6160
H     0.8743    2.5034   -0.2232
H     1.4938    0.9299    0.2686
H     0.1420    1.9264   -3.3630
H    -1.4417    1.4830   -2.7069
H    -0.5430    2.8329   -2.0126
H     0.9107   -1.0891   -1.0537
H    -0.1200   -0.3880   -3.9190
 27
 74  E= -0.399322E+02
C     0.4274    0.6512    3.6176
C    -0.1373   -0.3730    2.6900
C    -0.1726   -1.7765    3.2038
C    -0.5759   -0.0884    1.4559
C    -0.5798    1.2745    0.8451
C     0.5954    1.4328   -0.1425
C     0.2207    0.8745   -1.4835
C    -0.4388    1.8236   -2.4268
C     0.4606   -0.4113   -1.7841
C     0.1412   -1.0372   -3.0715
O     0.1763   -2.2376   -3.2228
H     0.8871    0.2093    4.5111
H    -0.3503    1.3448    3.9677
H     1.2042    1.2516    3.1242
H    -1.0841   -2.3051    2.8913
H     0.6834   -2.3536    2.8221
H    -0.1296   -1.8270    4.2994
H    -0.9552   -0.8727    0.8016
H    -1.5418    1.4492    0.3203
H    -0.5261    2.0670    1.6165
H     0.8786    2.5008   -0.2224
H     1.4949    0.9256    0.2655
H     0.1354    1.9351   -3.3585
H    -1.4470    1.4825   -2.7074
H    -0.5559    2.8297   -2.0031
H     0.9163   -1.0861   -1.0561
H    -0.1180   -0.3907   -3.9210
 27
 75  E= -0.399553E+02
C     0.4401    0.6480    3.6127
C    -0.1379   -0.3735    2.6900
C    -0.1888   -1.7736    3.2113
C    -0.5762   -0.0872    1.4562
C    -0.5743    1.2764    0.8466
C     0.5970    1.4299   -0.1450
C     0.2152    0.8738   -1.4852
C    -0.4531    1.8231   -2.4218
C     0.4619   -0.4102   -1.7874
C     0.1480   -1.0381   -3.0751
O     0.1920   -2.2381   -3.2264
H     0.9169    0.2036    4.4964
H    -0.3329    1.3386    3.9788
H     1.2079    1.2513    3.1088
H    -1.0916   -2.3038    2.8761
H     0.6782   -2.3531    2.8574
H    -0.1796   -1.8173    4.3089
H    -0.9606   -0.8680    0.8008
H    -1.5359    1.4579    0.3241
H    -0.5143    2.0666    1.6192
H     0.8837    2.4966   -0.2244
H     1.4967    0.9197    0.2580
H     0.1225    1.9504   -3.3506
H    -1.4578    1.4767   -2.7085
H    -0.5840    2.8236   -1.9885
H     0.9243   -1.0822   -1.0605
H    -0.1136   -0.3932   -3.9246
 27
 76  E= -0.399722E+02
C     0.4403    0.6433    3.6093
C    -0.1370   -0.3757    2.6838
C    -0.1883   -1.7761    3.2022
C    -0.5754   -0.0854    1.4510
C    -0.5731    1.2811    0.8474
C     0.5961    1.4351   -0.1459
C     0.2131    0.8771   -1.4846
C    -0.4534    1.8253   -2.4231
C     0.4611   -0.4081   -1.7818
C     0.1470   -1.0434   -3.0654
O     0.1927   -2.2440   -3.2101
H     0.9200    0.1961    4.4891
H    -0.3337    1.3299    3.9794
H     1.2055    1.2507    3.1071
H    -1.0861   -2.3095    2.8621
H     0.6813   -2.3512    2.8533
H    -0.1884   -1.8212    4.2974
H    -0.9600   -0.8621    0.7910
H    -1.5346    1.4682    0.3277
H    -0.5084    2.0669    1.6237
H     0.8816    2.5015   -0.2261
H     1.4976    0.9265    0.2555
H     0.1261    1.9548   -3.3488
H    -1.4568    1.4791   -2.7126
H    -0.5879    2.8256   -1.9908
H     0.9245   -1.0767   -1.0518
H    -0.1184   -0.4034   -3.9173
 27
 77  E= -0.400040E+02
C     0.4562    0.6287    3.6019
C    -0.1346   -0.3802    2.6740
C    -0.2084   -1.7790    3.1928
C    -0.5700   -0.0787    1.4430
C    -0.5625    1.2937    0.8526
C     0.5946    1.4466   -0.1533
C     0.2025    0.8821   -1.4864
C    -0.4698    1.8266   -2.4238
C     0.4598   -0.4034   -1.7748
C     0.1529   -1.0538   -3.0521
O     0.2128   -2.2553   -3.1845
H     0.9597    0.1703    4.4626
H    -0.3164    1.3020    4.0000
H     1.2060    1.2501    3.0934
H    -1.0874   -2.3188    2.8117
H     0.6806   -2.3504    2.8883
H    -0.2676   -1.8204    4.2876
H    -0.9605   -0.8453    0.7752
H    -1.5280    1.4977    0.3468
H    -0.4789    2.0697    1.6376
H     0.8757    2.5126   -0.2407
H     1.5024    0.9428    0.2402
H     0.1203    1.9744   -3.3400
H    -1.4652    1.4684   -2.7260
H    -0.6281    2.8228   -1.9872
H     0.9259   -1.0641   -1.0388
H    -0.1230   -0.4240   -3.9082
 27
 78  E= -0.400253E+02
C     0.4557    0.6271    3.6029
C    -0.1332   -0.3808    2.6723
C    -0.2075   -1.7814    3.1877
C    -0.5684   -0.0769    1.4420
C    -0.5617    1.2960    0.8537
C     0.5938    1.4511   -0.1542
C     0.2032    0.8825   -1.4861
C    -0.4684    1.8261   -2.4258
C     0.4593   -0.4035   -1.7723
C     0.1516   -1.0551   -3.0488
O     0.2113   -2.2570   -3.1795
H     0.9571    0.1677    4.4637
H    -0.3197    1.2976    4.0006
H     1.2051    1.2517    3.0971
H    -1.0854   -2.3202    2.8040
H     0.6820   -2.3529    2.8849
H    -0.2677   -1.8243    4.2820
H    -0.9594   -0.8438    0.7752
H    -1.5298    1.5000    0.3520
H    -0.4764    2.0718    1.6393
H     0.8709    2.5183   -0.2455
H     1.5028    0.9502    0.2407
H     0.1233    1.9718   -3.3416
H    -1.4626    1.4649   -2.7288
H    -0.6267    2.8236   -1.9915
H     0.9218   -1.0640   -1.0346
H    -0.1258   -0.4267   -3.9056
 27
 79  E= -0.400407E+02
C     0.4657    0.6008    3.6050
C    -0.1249   -0.3877    2.6538
C    -0.2192   -1.7970    3.1469
C    -0.5554   -0.0601    1.4281
C    -0.5472    1.3222    0.8637
C     0.5883    1.4892   -0.1671
C     0.1956    0.8931   -1.4873
C    -0.4750    1.8253   -2.4407
C     0.4522   -0.3972   -1.7512
C     0.1466   -1.0756   -3.0145
O     0.2227   -2.2805   -3.1216
H     0.9803    0.1210    4.4465
H    -0.3204    1.2450    4.0314
H     1.1988    1.2558    3.1105
H    -1.0723   -2.3383    2.7059
H     0.6925   -2.3617    2.8935
H    -0.3396   -1.8478    4.2387
H    -0.9523   -0.8190    0.7558
H    -1.5315    1.5414    0.3958
H    -0.4342    2.0871    1.6602
H     0.8386    2.5626   -0.2839
H     1.5108    1.0093    0.2267
H     0.1374    1.9774   -3.3446
H    -1.4547    1.4404   -2.7643
H    -0.6547    2.8245   -2.0130
H     0.9029   -1.0459   -0.9965
H    -0.1468   -0.4687   -3.8821
 27
 80  E= -0.400743E+02
C     0.4577    0.6115    3.6038
C    -0.1276   -0.3849    2.6583
C    -0.2078   -1.7923    3.1555
C    -0.5628   -0.0659    1.4320
C    -0.5552    1.3133    0.8594
C     0.5900    1.4756   -0.1602
C     0.2006    0.8898   -1.4854
C    -0.4680    1.8260   -2.4353
C     0.4556   -0.3994   -1.7573
C     0.1451   -1.0698   -3.0236
O     0.2126   -2.2735   -3.1378
H     0.9630    0.1406    4.4556
H    -0.3260    1.2654    4.0148
H     1.1988    1.2556    3.1096
H    -1.0706   -2.3322    2.7406
H     0.6923   -2.3582    2.8766
H    -0.2972   -1.8431    4.2474
H    -0.9575   -0.8279    0.7613
H    -1.5326    1.5262    0.3779
H    -0.4531    2.0824    1.6513
H     0.8512    2.5465   -0.2656
H     1.5057    0.9871    0.2363
H     0.1367    1.9736   -3.3440
H    -1.4537    1.4532   -2.7510
H    -0.6353    2.8247   -2.0053
H     0.9135   -1.0509   -1.0090
H    -0.1427   -0.4565   -3.8880
 27
 81  E= -0.400896E+02
C     0.4588    0.6098    3.6025
C    -0.1271   -0.3851    2.6557
C    -0.2085   -1.7929    3.1513
C    -0.5637   -0.0644    1.4303
C    -0.5549    1.3157    0.8596
C     0.5902    1.4771   -0.1598
C     0.2006    0.8909   -1.4848
C    -0.4690    1.8256   -2.4353
C     0.4554   -0.3988   -1.7552
C     0.1445   -1.0720   -3.0199
O     0.2138   -2.2755   -3.1326
H     0.9673    0.1378    4.4522
H    -0.3245    1.2618    4.0169
H     1.1982    1.2564    3.1087
H    -1.0677   -2.3333    2.7297
H     0.6941   -2.3580    2.8772
H    -0.3051   -1.8447    4.2430
H    -0.9593   -0.8247    0.7580
H    -1.5318    1.5306    0.3781
H    -0.4508    2.0832    1.6523
H     0.8526    2.5479   -0.2641
H     1.5057    0.9885    0.2366
H     0.1359    1.9762   -3.3429
H    -1.4540    1.4518   -2.7529
H    -0.6396    2.8230   -2.0039
H     0.9160   -1.0481   -1.0064
H    -0.1450   -0.4609   -3.8852
 27
 82  E= -0.401062E+02
C     0.4697    0.5749    3.5967
C    -0.1193   -0.3910    2.6195
C    -0.2136   -1.8105    3.0799
C    -0.5640   -0.0380    1.4050
C    -0.5456    1.3564    0.8667
C     0.5875    1.5186   -0.1653
C     0.1957    0.9096   -1.4806
C    -0.4761    1.8226   -2.4497
C     0.4488   -0.3882   -1.7192
C     0.1317   -1.1067   -2.9590
O     0.2258   -2.3116   -3.0390
H     1.0118    0.0759    4.4145
H    -0.3156    1.1937    4.0609
H     1.1854    1.2618    3.1190
H    -1.0248   -2.3598    2.5685
H     0.7227   -2.3559    2.8701
H    -0.4038   -1.8823    4.1655
H    -0.9698   -0.7775    0.7126
H    -1.5258    1.5980    0.4050
H    -0.4063    2.1014    1.6745
H     0.8422    2.5918   -0.2752
H     1.5096    1.0432    0.2303
H     0.1447    1.9994   -3.3410
H    -1.4443    1.4272   -2.7961
H    -0.6870    2.8103   -2.0152
H     0.9296   -1.0096   -0.9553
H    -0.1844   -0.5307   -3.8392
 27
 83  E= -0.401560E+02
C     0.4611    0.5922    3.5995
C    -0.1231   -0.3876    2.6349
C    -0.2053   -1.8031    3.1083
C    -0.5667   -0.0494    1.4166
C    -0.5526    1.3380    0.8626
C     0.5887    1.4993   -0.1610
C     0.2009    0.9005   -1.4813
C    -0.4684    1.8228   -2.4433
C     0.4536   -0.3938   -1.7345
C     0.1345   -1.0904   -2.9847
O     0.2147   -2.2943   -3.0799
H     0.9841    0.1071    4.4341
H    -0.3242    1.2260    4.0371
H     1.1895    1.2600    3.1177
H    -1.0383   -2.3477    2.6441
H     0.7133   -2.3561    2.8620
H    -0.3447   -1.8689    4.1953
H    -0.9691   -0.7985    0.7343
H    -1.5299    1.5669    0.3896
H    -0.4304    2.0930    1.6633
H     0.8476    2.5714   -0.2671
H     1.5062    1.0176    0.2377
H     0.1431    1.9852   -3.3434
H    -1.4447    1.4382   -2.7744
H    -0.6586    2.8155   -2.0121
H     0.9272   -1.0285   -0.9797
H    -0.1701   -0.4976   -3.8568
 27
 84  E= -0.401777E+02
C     0.4640    0.5880    3.5984
C    -0.1228   -0.3881    2.6316
C    -0.2082   -1.8048    3.1016
C    -0.5669   -0.0457    1.4147
C    -0.5505    1.3427    0.8634
C     0.5889    1.5039   -0.1623
C     0.2006    0.9015   -1.4808
C    -0.4710    1.8215   -2.4439
C     0.4541   -0.3931   -1.7309
C     0.1340   -1.0931   -2.9788
O     0.2178   -2.2971   -3.0709
H     0.9924    0.0994    4.4276
H    -0.3212    1.2168    4.0429
H     1.1884    1.2605    3.1164
H    -1.0344   -2.3506    2.6251
H     0.7158   -2.3553    2.8665
H    -0.3627   -1.8726    4.1870
H    -0.9725   -0.7923    0.7316
H    -1.5282    1.5754    0.3933
H    -0.4244    2.0953    1.6660
H     0.8458    2.5759   -0.2716
H     1.5076    1.0243    0.2363
H     0.1419    1.9879   -3.3425
H    -1.4442    1.4310   -2.7779
H    -0.6682    2.8135   -2.0128
H     0.9290   -1.0257   -0.9755
H    -0.1748   -0.5028   -3.8513
 27
 85  E= -0.402689E+02
C     0.4738    0.5583    3.5986
C    -0.1242   -0.3899    2.6109
C    -0.2132   -1.8161    3.0527
C    -0.5682   -0.0204    1.4015
C    -0.5412    1.3744    0.8679
C     0.5895    1.5370   -0.1698
C     0.2005    0.9102   -1.4767
C    -0.4771    1.8096   -2.4553
C     0.4547   -0.3885   -1.7032
C     0.1242   -1.1093   -2.9362
O     0.2265   -2.3144   -3.0130
H     1.0278    0.0429    4.3966
H    -0.3104    1.1606    4.0868
H     1.1782    1.2569    3.1234
H    -1.0006   -2.3734    2.5110
H     0.7386   -2.3432    2.8692
H    -0.4418   -1.9041    4.1273
H    -0.9844   -0.7520    0.7104
H    -1.5207    1.6261    0.4106
H    -0.3970    2.1132    1.6818
H     0.8334    2.6091   -0.2998
H     1.5153    1.0724    0.2315
H     0.1445    1.9873   -3.3452
H    -1.4303    1.3845   -2.8059
H    -0.7119    2.8002   -2.0369
H     0.9366   -1.0093   -0.9432
H    -0.2096   -0.5332   -3.8098
 27
 86  E= -0.403306E+02
C     0.4764    0.5570    3.5921
C    -0.1269   -0.3886    2.6057
C    -0.2136   -1.8155    3.0447
C    -0.5778   -0.0150    1.4005
C    -0.5422    1.3798    0.8671
C     0.5930    1.5361   -0.1666
C     0.2049    0.9073   -1.4722
C    -0.4802    1.8036   -2.4486
C     0.4632   -0.3899   -1.7007
C     0.1228   -1.1091   -2.9319
O     0.2264   -2.3133   -3.0098
H     1.0372    0.0407    4.3833
H    -0.3062    1.1534    4.0862
H     1.1759    1.2587    3.1144
H    -0.9881   -2.3751    2.4957
H     0.7453   -2.3380    2.8756
H    -0.4569   -1.9047    4.1153
H    -1.0037   -0.7429    0.7110
H    -1.5180    1.6375    0.4069
H    -0.3970    2.1172    1.6819
H     0.8400    2.6065   -0.2989
H     1.5151    1.0699    0.2387
H     0.1391    1.9893   -3.3391
H    -1.4286    1.3694   -2.7996
H    -0.7237    2.7916   -2.0280
H     0.9540   -1.0098   -0.9463
H    -0.2195   -0.5316   -3.8013
 27
 87  E= -0.404185E+02
C     0.4847    0.5408    3.5732
C    -0.1348   -0.3848    2.5783
C    -0.2091   -1.8195    2.9945
C    -0.6070    0.0122    1.3887
C    -0.5443    1.4109    0.8662
C     0.6035    1.5478   -0.1572
C     0.2174    0.9055   -1.4559
C    -0.4890    1.7834   -2.4346
C     0.4872   -0.3904   -1.6796
C     0.1121   -1.1197   -2.8957
O     0.2242   -2.3226   -2.9695
H     1.0717    0.0101    4.3342
H    -0.2934    1.1109    4.1029
H     1.1632    1.2629    3.0975
H    -0.9327   -2.3927    2.3933
H     0.7751   -2.3118    2.8785
H    -0.5169   -1.9264    4.0463
H    -1.0596   -0.6996    0.6978
H    -1.5097    1.6907    0.3986
H    -0.3933    2.1397    1.6863
H     0.8604    2.6137   -0.3006
H     1.5161    1.0784    0.2626
H     0.1310    1.9930   -3.3200
H    -1.4166    1.3163   -2.7967
H    -0.7676    2.7615   -2.0122
H     1.0084   -0.9989   -0.9354
H    -0.2657   -0.5499   -3.7564
 27
 88  E= -0.404388E+02
C     0.4803    0.5450    3.5710
C    -0.1372   -0.3833    2.5784
C    -0.2026   -1.8165    2.9973
C    -0.6105    0.0110    1.3893
C    -0.5486    1.4086    0.8651
C     0.6054    1.5426   -0.1519
C     0.2203    0.9027   -1.4519
C    -0.4863    1.7796   -2.4302
C     0.4911   -0.3920   -1.6814
C     0.1118   -1.1153   -2.8990
O     0.2165   -2.3183   -2.9817
H     1.0606    0.0175    4.3365
H    -0.2969    1.1199    4.0938
H     1.1631    1.2621    3.0972
H    -0.9294   -2.3900    2.4121
H     0.7735   -2.3048    2.8691
H    -0.4912   -1.9243    4.0468
H    -1.0593   -0.7026    0.6994
H    -1.5114    1.6845    0.3898
H    -0.4071    2.1415    1.6825
H     0.8676    2.6082   -0.2939
H     1.5161    1.0702    0.2713
H     0.1342    1.9813   -3.3157
H    -1.4158    1.3182   -2.7894
H    -0.7573    2.7573   -2.0098
H     1.0096   -1.0031   -0.9390
H    -0.2666   -0.5419   -3.7554
 27
 89  E= -0.404833E+02
C     0.4875    0.5410    3.5701
C    -0.1376   -0.3830    2.5779
C    -0.2134   -1.8148    2.9981
C    -0.6080    0.0133    1.3886
C    -0.5449    1.4119    0.8673
C     0.6058    1.5442   -0.1535
C     0.2167    0.9021   -1.4516
C    -0.4942    1.7761   -2.4285
C     0.4916   -0.3918   -1.6821
C     0.1171   -1.1159   -2.8998
O     0.2248   -2.3186   -2.9843
H     1.0766    0.0093    4.3290
H    -0.2872    1.1133    4.1034
H     1.1652    1.2617    3.0926
H    -0.9318   -2.3893    2.4016
H     0.7694   -2.3029    2.8891
H    -0.5203   -1.9202    4.0473
H    -1.0579   -0.6981    0.6976
H    -1.5090    1.6907    0.3950
H    -0.4006    2.1449    1.6849
H     0.8676    2.6101   -0.2985
H     1.5191    1.0733    0.2671
H     0.1303    1.9832   -3.3107
H    -1.4214    1.3111   -2.7923
H    -0.7738    2.7511   -2.0058
H     1.0086   -1.0017   -0.9384
H    -0.2658   -0.5435   -3.7551
 27
 90  E= -0.405082E+02
C     0.4932    0.5391    3.5682
C    -0.1392   -0.3814    2.5775
C    -0.2201   -1.8131    2.9972
C    -0.6104    0.0170    1.3886
C    -0.5427    1.4156    0.8673
C     0.6083    1.5430   -0.1533
C     0.2160    0.8997   -1.4501
C    -0.5015    1.7729   -2.4233
C     0.4957   -0.3925   -1.6829
C     0.1209   -1.1167   -2.9014
O     0.2301   -2.3191   -2.9859
H     1.0900    0.0046    4.3198
H    -0.2776    1.1084    4.1084
H     1.1651    1.2627    3.0872
H    -0.9289   -2.3916    2.3849
H     0.7661   -2.2971    2.9048
H    -0.5428   -1.9182    4.0433
H    -1.0670   -0.6927    0.6981
H    -1.5055    1.6956    0.3939
H    -0.3995    2.1508    1.6829
H     0.8710    2.6083   -0.2988
H     1.5217    1.0708    0.2660
H     0.1251    1.9882   -3.3032
H    -1.4268    1.3046   -2.7906
H    -0.7893    2.7437   -1.9945
H     1.0154   -1.0006   -0.9389
H    -0.2685   -0.5451   -3.7549
 27
 91  E= -0.405226E+02
C     0.4999    0.5366    3.5642
C    -0.1427   -0.3796    2.5756
C    -0.2277   -1.8105    2.9970
C    -0.6157    0.0220    1.3884
C    -0.5416    1.4206    0.8676
C     0.6112    1.5408   -0.1517
C     0.2157    0.8961   -1.4470
C    -0.5100    1.7670   -2.4166
C     0.5028   -0.3937   -1.6839
C     0.1249   -1.1162   -2.9032
O     0.2358   -2.3183   -2.9923
H     1.1058   -0.0011    4.3068
H    -0.2659    1.1034    4.1173
H     1.1659    1.2631    3.0789
H    -0.9226   -2.3935    2.3742
H     0.7631   -2.2904    2.9253
H    -0.5669   -1.9115    4.0388
H    -1.0778   -0.6848    0.6991
H    -1.5029    1.7046    0.3922
H    -0.3978    2.1568    1.6822
H     0.8768    2.6054   -0.2994
H     1.5237    1.0663    0.2676
H     0.1193    1.9908   -3.2927
H    -1.4320    1.2950   -2.7875
H    -0.8068    2.7324   -1.9824
H     1.0278   -1.0013   -0.9427
H    -0.2725   -0.5437   -3.7528
 27
 92  E= -0.405348E+02
C     0.5049    0.5389    3.5628
C    -0.1450   -0.3770    2.5786
C    -0.2340   -1.8066    3.0041
C    -0.6194    0.0235    1.3920
C    -0.5417    1.4202    0.8673
C     0.6128    1.5346   -0.1504
C     0.2159    0.8912   -1.4457
C    -0.5159    1.7627   -2.4102
C     0.5085   -0.3962   -1.6891
C     0.1290   -1.1128   -2.9112
O     0.2407   -2.3142   -3.0076
H     1.1153    0.0010    4.3010
H    -0.2561    1.1061    4.1209
H     1.1684    1.2648    3.0737
H    -0.9229   -2.3917    2.3786
H     0.7561   -2.2872    2.9428
H    -0.5804   -1.9029    4.0436
H    -1.0858   -0.6829    0.7056
H    -1.5016    1.7045    0.3894
H    -0.3984    2.1585    1.6800
H     0.8816    2.5983   -0.2989
H     1.5233    1.0570    0.2698
H     0.1125    1.9930   -3.2853
H    -1.4375    1.2899   -2.7813
H    -0.8171    2.7243   -1.9712
H     1.0374   -1.0058   -0.9526
H    -0.2704   -0.5359   -3.7567
 27
 93  E= -0.405519E+02
C     0.5130    0.5401    3.5625
C    -0.1480   -0.3731    2.5828
C    -0.2444   -1.8015    3.0123
C    -0.6251    0.0278    1.3972
C    -0.5405    1.4219    0.8675
C     0.6143    1.5289   -0.1500
C     0.2164    0.8839   -1.4444
C    -0.5247    1.7558   -2.4020
C     0.5155   -0.4003   -1.6956
C     0.1333   -1.1099   -2.9217
O     0.2503   -2.3103   -3.0282
H     1.1307   -0.0014    4.2906
H    -0.2385    1.1067    4.1330
H     1.1715    1.2688    3.0696
H    -0.9194   -2.3931    2.3798
H     0.7430   -2.2849    2.9698
H    -0.6063   -1.8895    4.0456
H    -1.0995   -0.6763    0.7144
H    -1.4993    1.7078    0.3879
H    -0.3928    2.1612    1.6787
H     0.8839    2.5919   -0.3027
H     1.5230    1.0511    0.2730
H     0.1026    1.9986   -3.2741
H    -1.4443    1.2805   -2.7750
H    -0.8346    2.7104   -1.9555
H     1.0524   -1.0122   -0.9672
H    -0.2686   -0.5270   -3.7624
 27
 94  E= -0.405596E+02
C     0.5171    0.5410    3.5618
C    -0.1482   -0.3718    2.5844
C    -0.2497   -1.7992    3.0159
C    -0.6261    0.0284    1.3992
C    -0.5398    1.4215    0.8679
C     0.6150    1.5264   -0.1505
C     0.2158    0.8818   -1.4444
C    -0.5289    1.7542   -2.3990
C     0.5165   -0.4016   -1.6982
C     0.1359   -1.1089   -2.9256
O     0.2556   -2.3086   -3.0347
H     1.1384   -0.0015    4.2867
H    -0.2314    1.1069    4.1361
H     1.1731    1.2704    3.0674
H    -0.9214   -2.3909    2.3786
H     0.7376   -2.2856    2.9812
H    -0.6208   -1.8853    4.0472
H    -1.1024   -0.6756    0.7179
H    -1.4981    1.7082    0.3884
H    -0.3899    2.1607    1.6785
H     0.8857    2.5891   -0.3043
H     1.5229    1.0483    0.2732
H     0.0971    2.0023   -3.2709
H    -1.4472    1.2767   -2.7725
H    -0.8427    2.7067   -1.9493
H     1.0558   -1.0140   -0.9722
H    -0.2660   -0.5244   -3.7651
 27
 95  E= -0.405685E+02
C     0.5176    0.5384    3.5631
C    -0.1459   -0.3730    2.5834
C    -0.2508   -1.8008    3.0125
C    -0.6223    0.0282    1.3979
C    -0.5377    1.4223    0.8693
C     0.6133    1.5313   -0.1532
C     0.2139    0.8845   -1.4459
C    -0.5285    1.7562   -2.4024
C     0.5106   -0.4005   -1.6955
C     0.1348   -1.1119   -2.9218
O     0.2586   -2.3112   -3.0265
H     1.1385   -0.0064    4.2869
H    -0.2307    1.1033    4.1381
H     1.1724    1.2705    3.0709
H    -0.9224   -2.3908    2.3725
H     0.7350   -2.2904    2.9780
H    -0.6274   -1.8886    4.0418
H    -1.0959   -0.6760    0.7151
H    -1.4979    1.7104    0.3945
H    -0.3825    2.1587    1.6817
H     0.8804    2.5949   -0.3087
H     1.5240    1.0581    0.2697
H     0.0975    2.0042   -3.2740
H    -1.4446    1.2766   -2.7781
H    -0.8429    2.7094   -1.9541
H     1.0484   -1.0112   -0.9672
H    -0.2644   -0.5305   -3.7644
 27
 96  E= -0.405756E+02
C     0.5236    0.5321    3.5610
C    -0.1455   -0.3735    2.5796
C    -0.2576   -1.8017    3.0055
C    -0.6218    0.0325    1.3956
C    -0.5336    1.4285    0.8714
C     0.6132    1.5376   -0.1558
C     0.2114    0.8858   -1.4454
C    -0.5342    1.7545   -2.4019
C     0.5083   -0.4000   -1.6911
C     0.1354   -1.1163   -2.9155
O     0.2674   -2.3151   -3.0175
H     1.1511   -0.0182    4.2757
H    -0.2205    1.0922    4.1472
H     1.1712    1.2711    3.0688
H    -0.9165   -2.3928    2.3515
H     0.7293   -2.2919    2.9886
H    -0.6567   -1.8895    4.0271
H    -1.0978   -0.6691    0.7110
H    -1.4951    1.7225    0.4024
H    -0.3701    2.1610    1.6860
H     0.8770    2.6015   -0.3161
H     1.5267    1.0694    0.2663
H     0.0927    2.0106   -3.2707
H    -1.4438    1.2674   -2.7839
H    -0.8576    2.7041   -1.9514
H     1.0490   -1.0074   -0.9619
H    -0.2669   -0.5395   -3.7598
 27
 97  E= -0.405832E+02
C     0.5275    0.5318    3.5593
C    -0.1460   -0.3730    2.5803
C    -0.2627   -1.8002    3.0081
C    -0.6223    0.0330    1.3963
C    -0.5324    1.4289    0.8719
C     0.6137    1.5361   -0.1561
C     0.2098    0.8847   -1.4451
C    -0.5385    1.7537   -2.3994
C     0.5090   -0.4005   -1.6923
C     0.1381   -1.1161   -2.9176
O     0.2727   -2.3145   -3.0213
H     1.1580   -0.0185    4.2707
H    -0.2137    1.0916    4.1491
H     1.1725    1.2708    3.0645
H    -0.9173   -2.3904    2.3507
H     0.7231   -2.2923    2.9994
H    -0.6693   -1.8857    4.0259
H    -1.0993   -0.6685    0.7124
H    -1.4939    1.7248    0.4044
H    -0.3675    2.1616    1.6860
H     0.8790    2.5994   -0.3170
H     1.5272    1.0664    0.2644
H     0.0871    2.0149   -3.2676
H    -1.4458    1.2648   -2.7829
H    -0.8650    2.7009   -1.9459
H     1.0509   -1.0078   -0.9636
H    -0.2648   -0.5393   -3.7614
 27
 98  E= -0.405964E+02
C     0.5353    0.5237    3.5539
C    -0.1470   -0.3730    2.5743
C    -0.2703   -1.8009    2.9978
C    -0.6236    0.0410    1.3930
C    -0.5286    1.4388    0.8745
C     0.6146    1.5414   -0.1564
C     0.2071    0.8846   -1.4419
C    -0.5469    1.7480   -2.3968
C     0.5115   -0.4000   -1.6861
C     0.1405   -1.1199   -2.9090
O     0.2815   -2.3175   -3.0127
H     1.1752   -0.0306    4.2527
H    -0.2003    1.0757    4.1573
H     1.1722    1.2678    3.0575
H    -0.9062   -2.3903    2.3222
H     0.7150   -2.2885    3.0168
H    -0.7037   -1.8869    4.0037
H    -1.1043   -0.6560    0.7068
H    -1.4904    1.7429    0.4124
H    -0.3597    2.1693    1.6896
H     0.8810    2.6036   -0.3213
H     1.5301    1.0716    0.2612
H     0.0785    2.0199   -3.2610
H    -1.4452    1.2496   -2.7879
H    -0.8859    2.6889   -1.9410
H     1.0547   -1.0034   -0.9549
H    -0.2716   -0.5476   -3.7517
 27
 99  E= -0.406017E+02
C     0.5412    0.5198    3.5514
C    -0.1478   -0.3720    2.5720
C    -0.2771   -1.7999    2.9939
C    -0.6257    0.0455    1.3926
C    -0.5261    1.4436    0.8758
C     0.6154    1.5430   -0.1572
C     0.2061    0.8837   -1.4409
C    -0.5532    1.7445   -2.3939
C     0.5136   -0.4001   -1.6850
C     0.1424   -1.1218   -2.9070
O     0.2888   -2.3189   -3.0110
H     1.1880   -0.0380    4.2416
H    -0.1898    1.0670    4.1650
H     1.1731    1.2677    3.0540
H    -0.9002   -2.3903    2.3075
H     0.7089   -2.2871    3.0325
H    -0.7283   -1.8847    3.9925
H    -1.1117   -0.6483    0.7064
H    -1.4875    1.7520    0.4160
H    -0.3528    2.1724    1.6917
H     0.8818    2.6048   -0.3249
H     1.5316    1.0741    0.2600
H     0.0716    2.0262   -3.2558
H    -1.4466    1.2403   -2.7890
H    -0.9009    2.6806   -1.9342
H     1.0604   -1.0018   -0.9547
H    -0.2744   -0.5515   -3.7486
 27
 100  E= -0.406078E+02
C     0.5487    0.5141    3.5493
C    -0.1484   -0.3707    2.5691
C    -0.2856   -1.7987    2.9878
C    -0.6284    0.0518    1.3925
C    -0.5227    1.4500    0.8777
C     0.6160    1.5458   -0.1590
C     0.2049    0.8828   -1.4401
C    -0.5610    1.7399   -2.3912
C     0.5162   -0.4000   -1.6839
C     0.1444   -1.1249   -2.9038
O     0.2984   -2.3211   -3.0070
H     1.2038   -0.0488    4.2275
H    -0.1765    1.0538    4.1759
H     1.1752    1.2675    3.0531
H    -0.8912   -2.3902    2.2875
H     0.6996   -2.2857    3.0523
H    -0.7597   -1.8829    3.9755
H    -1.1219   -0.6368    0.7068
H    -1.4839    1.7638    0.4213
H    -0.3423    2.1756    1.6952
H     0.8812    2.6073   -0.3307
H     1.5331    1.0791    0.2583
H     0.0628    2.0349   -3.2495
H    -1.4480    1.2283   -2.7912
H    -0.9203    2.6694   -1.9268
H     1.0672   -0.9991   -0.9548
H    -0.2785   -0.5576   -3.7442
 27
 101  E= -0.406106E+02
C     0.5501    0.5116    3.5489
C    -0.1482   -0.3709    2.5674
C    -0.2867   -1.7993    2.9842
C    -0.6286    0.0538    1.3918
C    -0.5216    1.4522    0.8781
C     0.6159    1.5479   -0.1599
C     0.2046    0.8838   -1.4405
C    -0.5623    1.7395   -2.3917
C     0.5163   -0.3991   -1.6826
C     0.1442   -1.1267   -2.9008
O     0.3002   -2.3228   -3.0016
H     1.2067   -0.0528    4.2240
H    -0.1747    1.0484    4.1779
H     1.1760    1.2668    3.0547
H    -0.8875   -2.3910    2.2803
H     0.6976   -2.2856    3.0546
H    -0.7662   -1.8843    3.9688
H    -1.1242   -0.6328    0.7060
H    -1.4829    1.7674    0.4230
H    -0.3389    2.1760    1.6964
H     0.8800    2.6094   -0.3326
H     1.5332    1.0819    0.2574
H     0.0616    2.0374   -3.2487
H    -1.4477    1.2262   -2.7932
H    -0.9246    2.6676   -1.9270
H     1.0677   -0.9968   -0.9529
H    -0.2807   -0.5616   -3.7416
