 16
 1  E= +0.314873E+01
C     0.1529   -1.0205    0.0043
C    -0.0598   -1.3271   -1.3686
C    -0.0929   -0.3291   -2.2534
C     0.0833    0.9991   -1.7949
C    -0.0135    1.2773   -0.4250
C     0.0249    0.3081    0.4414
O    -0.0625    0.5933    1.8298
C    -0.0206   -0.4648    2.7759
H     0.4079   -1.7948    0.6974
H    -0.1908   -2.3405   -1.6860
H    -0.2502   -0.5291   -3.2927
H     0.2892    1.7857   -2.4905
H    -0.1192    2.2885   -0.0913
H    -0.8355   -1.1350    2.5979
H     0.9043   -0.9940    2.6784
H    -0.0989   -0.0626    3.7644
 16
 2  E= -0.817707E+01
C     0.1503   -1.0251   -0.0028
C    -0.0569   -1.3410   -1.3364
C    -0.0918   -0.3016   -2.2681
C     0.0805    0.9941   -1.7965
C    -0.0140    1.3142   -0.4588
C     0.0262    0.2616    0.4911
O    -0.0623    0.6003    1.8185
C    -0.0199   -0.4680    2.7654
H     0.4068   -1.7976    0.6983
H    -0.1901   -2.3453   -1.6856
H    -0.2497   -0.5280   -3.2980
H     0.2878    1.7886   -2.4931
H    -0.1187    2.2953   -0.0907
H    -0.8398   -1.1387    2.5973
H     0.9091   -0.9967    2.6787
H    -0.0995   -0.0566    3.7670
 16
 3  E= -0.905245E+01
C     0.1479   -1.0534    0.0284
C    -0.0545   -1.3296   -1.3378
C    -0.0897   -0.3013   -2.2541
C     0.0757    1.0065   -1.8187
C    -0.0128    1.3097   -0.4232
C     0.0249    0.2532    0.5079
O    -0.0610    0.6152    1.7908
C    -0.0186   -0.4709    2.7346
H     0.4047   -1.8145    0.7042
H    -0.1875   -2.3610   -1.6814
H    -0.2482   -0.5251   -3.3250
H     0.2837    1.7999   -2.5131
H    -0.1169    2.3241   -0.0873
H    -0.8507   -1.1504    2.5926
H     0.9213   -1.0053    2.6785
H    -0.1006   -0.0368    3.7670
 16
 4  E= -0.974655E+01
C     0.1428   -1.0764    0.0285
C    -0.0507   -1.3258   -1.3134
C    -0.0875   -0.3003   -2.2665
C     0.0693    1.0262   -1.7812
C    -0.0097    1.2935   -0.4359
C     0.0242    0.2509    0.4678
O    -0.0598    0.6252    1.8095
C    -0.0179   -0.4676    2.7267
H     0.4027   -1.8434    0.7185
H    -0.1831   -2.3726   -1.6738
H    -0.2447   -0.5200   -3.3343
H     0.2778    1.8139   -2.5325
H    -0.1138    2.3517   -0.0845
H    -0.8632   -1.1614    2.5847
H     0.9353   -1.0132    2.6752
H    -0.1015   -0.0167    3.7455
 16
 5  E= -0.104237E+02
C     0.1390   -1.0607    0.0334
C    -0.0501   -1.3443   -1.3509
C    -0.0857   -0.2886   -2.2510
C     0.0664    1.0159   -1.8012
C    -0.0092    1.3160   -0.4468
C     0.0249    0.2453    0.4675
O    -0.0580    0.6093    1.8172
C    -0.0186   -0.4631    2.7616
H     0.4010   -1.8689    0.7382
H    -0.1784   -2.3617   -1.6582
H    -0.2401   -0.5136   -3.3038
H     0.2712    1.8149   -2.5211
H    -0.1099    2.3410   -0.0879
H    -0.8643   -1.1580    2.5768
H     0.9373   -1.0104    2.6691
H    -0.1015   -0.0108    3.7011
 16
 6  E= -0.125031E+02
C     0.1380   -1.0678    0.0225
C    -0.0490   -1.3385   -1.3310
C    -0.0856   -0.2989   -2.2488
C     0.0666    1.0218   -1.8038
C    -0.0095    1.3190   -0.4389
C     0.0240    0.2570    0.4865
O    -0.0566    0.6047    1.7987
C    -0.0187   -0.4705    2.7431
H     0.3971   -1.8689    0.7338
H    -0.1766   -2.3625   -1.6581
H    -0.2380   -0.5108   -3.2989
H     0.2672    1.8137   -2.5176
H    -0.1073    2.3348   -0.0895
H    -0.8616   -1.1527    2.5783
H     0.9348   -1.0068    2.6705
H    -0.1026   -0.0013    3.7115
 16
 7  E= -0.130710E+02
C     0.1376   -1.0673    0.0371
C    -0.0484   -1.3364   -1.3212
C    -0.0847   -0.2913   -2.2471
C     0.0649    1.0192   -1.7994
C    -0.0091    1.3147   -0.4364
C     0.0243    0.2503    0.4767
O    -0.0559    0.6067    1.7948
C    -0.0182   -0.4750    2.7265
H     0.3916   -1.8649    0.7236
H    -0.1745   -2.3661   -1.6599
H    -0.2361   -0.5094   -3.3018
H     0.2626    1.8158   -2.5188
H    -0.1049    2.3373   -0.0891
H    -0.8617   -1.1510    2.5785
H     0.9346   -1.0055    2.6712
H    -0.1038    0.0080    3.7185
 16
 8  E= -0.132406E+02
C     0.1358   -1.0734    0.0367
C    -0.0474   -1.3324   -1.3215
C    -0.0832   -0.2938   -2.2354
C     0.0621    1.0249   -1.7885
C    -0.0081    1.3100   -0.4422
C     0.0248    0.2467    0.4765
O    -0.0544    0.6058    1.7860
C    -0.0180   -0.4714    2.7284
H     0.3839   -1.8688    0.7152
H    -0.1698   -2.3670   -1.6586
H    -0.2319   -0.5060   -3.3029
H     0.2541    1.8197   -2.5179
H    -0.1005    2.3416   -0.0863
H    -0.8647   -1.1518    2.5744
H     0.9371   -1.0058    2.6693
H    -0.1050    0.0184    3.7028
 16
 9  E= -0.135274E+02
C     0.1330   -1.0764    0.0310
C    -0.0461   -1.3368   -1.3162
C    -0.0818   -0.2970   -2.2419
C     0.0598    1.0302   -1.7937
C    -0.0073    1.3128   -0.4296
C     0.0255    0.2428    0.4731
O    -0.0527    0.6036    1.7888
C    -0.0179   -0.4658    2.7287
H     0.3754   -1.8776    0.7144
H    -0.1638   -2.3652   -1.6563
H    -0.2263   -0.5015   -3.2945
H     0.2434    1.8221   -2.5147
H    -0.0947    2.3410   -0.0845
H    -0.8672   -1.1513    2.5714
H     0.9391   -1.0053    2.6682
H    -0.1062    0.0294    3.6900
 16
 10  E= -0.137759E+02
C     0.1308   -1.0771    0.0352
C    -0.0453   -1.3436   -1.3279
C    -0.0806   -0.2942   -2.2427
C     0.0572    1.0250   -1.7893
C    -0.0069    1.3175   -0.4308
C     0.0260    0.2482    0.4786
O    -0.0507    0.6022    1.7902
C    -0.0177   -0.4674    2.7185
H     0.3675   -1.8887    0.7220
H    -0.1580   -2.3640   -1.6547
H    -0.2208   -0.4988   -3.2877
H     0.2325    1.8243   -2.5127
H    -0.0889    2.3357   -0.0806
H    -0.8664   -1.1466    2.5723
H     0.9384   -1.0020    2.6698
H    -0.1076    0.0422    3.6932
 16
 11  E= -0.139820E+02
C     0.1280   -1.0767    0.0313
C    -0.0433   -1.3386   -1.3233
C    -0.0785   -0.2873   -2.2300
C     0.0539    1.0192   -1.7924
C    -0.0060    1.3159   -0.4311
C     0.0267    0.2431    0.4734
O    -0.0486    0.6055    1.7824
C    -0.0177   -0.4734    2.7246
H     0.3576   -1.8949    0.7224
H    -0.1522   -2.3696   -1.6597
H    -0.2155   -0.4968   -3.2956
H     0.2205    1.8265   -2.5094
H    -0.0827    2.3353   -0.0746
H    -0.8655   -1.1426    2.5720
H     0.9374   -0.9995    2.6705
H    -0.1091    0.0526    3.6896
 16
 12  E= -0.143312E+02
C     0.1258   -1.0825    0.0420
C    -0.0417   -1.3357   -1.3228
C    -0.0775   -0.2911   -2.2392
C     0.0508    1.0305   -1.7883
C    -0.0045    1.3110   -0.4329
C     0.0274    0.2367    0.4733
O    -0.0463    0.6042    1.7781
C    -0.0176   -0.4686    2.7302
H     0.3460   -1.8943    0.7141
H    -0.1463   -2.3737   -1.6650
H    -0.2100   -0.4941   -3.2980
H     0.2081    1.8285   -2.5065
H    -0.0766    2.3378   -0.0695
H    -0.8664   -1.1416    2.5711
H     0.9377   -0.9992    2.6711
H    -0.1104    0.0595    3.6815
 16
 13  E= -0.144931E+02
C     0.1211   -1.0903    0.0309
C    -0.0387   -1.3410   -1.3269
C    -0.0747   -0.2932   -2.2346
C     0.0453    1.0341   -1.7851
C    -0.0021    1.3099   -0.4286
C     0.0286    0.2322    0.4733
O    -0.0427    0.5986    1.7909
C    -0.0177   -0.4517    2.7187
H     0.3280   -1.9007    0.7124
H    -0.1355   -2.3705   -1.6664
H    -0.2003   -0.4902   -3.3009
H     0.1879    1.8354   -2.5086
H    -0.0661    2.3360   -0.0634
H    -0.8686   -1.1397    2.5724
H     0.9388   -0.9982    2.6757
H    -0.1128    0.0734    3.6769
 16
 14  E= -0.149276E+02
C     0.1159   -1.0907    0.0261
C    -0.0356   -1.3490   -1.3305
C    -0.0721   -0.2869   -2.2419
C     0.0394    1.0278   -1.7770
C     0.0001    1.3097   -0.4181
C     0.0296    0.2335    0.4732
O    -0.0387    0.6012    1.7748
C    -0.0176   -0.4524    2.7289
H     0.3109   -1.9116    0.7159
H    -0.1247   -2.3674   -1.6703
H    -0.1903   -0.4862   -3.2963
H     0.1675    1.8422   -2.5101
H    -0.0554    2.3295   -0.0566
H    -0.8682   -1.1347    2.5759
H     0.9375   -0.9952    2.6816
H    -0.1150    0.0862    3.6775
 16
 15  E= -0.152911E+02
C     0.1082   -1.0950    0.0339
C    -0.0305   -1.3404   -1.3374
C    -0.0685   -0.2883   -2.2402
C     0.0312    1.0295   -1.7896
C     0.0034    1.3118   -0.4263
C     0.0312    0.2250    0.4707
O    -0.0329    0.6067    1.7756
C    -0.0175   -0.4617    2.7371
H     0.2852   -1.9238    0.7164
H    -0.1095   -2.3742   -1.6866
H    -0.1760   -0.4804   -3.2956
H     0.1368    1.8437   -2.4919
H    -0.0400    2.3227   -0.0433
H    -0.8654   -1.1242    2.5841
H     0.9338   -0.9888    2.6927
H    -0.1183    0.1052    3.6815
 16
 16  E= -0.159399E+02
C     0.1000   -1.1008    0.0311
C    -0.0250   -1.3433   -1.3387
C    -0.0640   -0.2819   -2.2408
C     0.0216    1.0328   -1.7848
C     0.0073    1.3017   -0.4223
C     0.0327    0.2192    0.4726
O    -0.0261    0.5980    1.7723
C    -0.0174   -0.4442    2.7383
H     0.2552   -1.9317    0.7104
H    -0.0923   -2.3756   -1.6990
H    -0.1606   -0.4758   -3.3091
H     0.1030    1.8517   -2.4918
H    -0.0231    2.3195   -0.0333
H    -0.8661   -1.1183    2.5904
H     0.9328   -0.9856    2.7046
H    -0.1216    0.1209    3.6731
 16
 17  E= -0.161921E+02
C     0.0874   -1.1129    0.0169
C    -0.0165   -1.3450   -1.3523
C    -0.0574   -0.2861   -2.2455
C     0.0077    1.0378   -1.7680
C     0.0133    1.2994   -0.4116
C     0.0349    0.2018    0.4672
O    -0.0165    0.6005    1.7717
C    -0.0172   -0.4267    2.7444
H     0.2118   -1.9401    0.7055
H    -0.0673   -2.3706   -1.7088
H    -0.1383   -0.4698   -3.3133
H     0.0552    1.8655   -2.4987
H     0.0007    2.3114   -0.0285
H    -0.8681   -1.1104    2.6038
H     0.9318   -0.9811    2.7264
H    -0.1262    0.1429    3.6765
 16
 18  E= -0.166316E+02
C     0.0745   -1.1234    0.0131
C    -0.0078   -1.3499   -1.3580
C    -0.0509   -0.2760   -2.2513
C    -0.0063    1.0400   -1.7773
C     0.0193    1.2892   -0.4154
C     0.0366    0.2023    0.4679
O    -0.0062    0.5968    1.7719
C    -0.0172   -0.4200    2.7575
H     0.1686   -1.9532    0.6999
H    -0.0419   -2.3675   -1.7259
H    -0.1156   -0.4622   -3.3160
H     0.0066    1.8712   -2.4828
H     0.0247    2.3034   -0.0127
H    -0.8673   -1.0984    2.6190
H     0.9283   -0.9738    2.7497
H    -0.1307    0.1641    3.6818
 16
 19  E= -0.166817E+02
C     0.0671   -1.1129    0.0185
C    -0.0031   -1.3428   -1.3600
C    -0.0479   -0.2769   -2.2531
C    -0.0130    1.0376   -1.7801
C     0.0221    1.2877   -0.4151
C     0.0370    0.1961    0.4721
O    -0.0000    0.5884    1.7645
C    -0.0174   -0.4173    2.7609
H     0.1470   -1.9611    0.7007
H    -0.0291   -2.3701   -1.7434
H    -0.1046   -0.4598   -3.3240
H    -0.0173    1.8720   -2.4775
H     0.0360    2.2947   -0.0128
H    -0.8657   -1.0907    2.6289
H     0.9253   -0.9691    2.7643
H    -0.1323    0.1693    3.6829
 16
 20  E= -0.168326E+02
C     0.0617   -1.1254    0.0144
C     0.0005   -1.3425   -1.3650
C    -0.0449   -0.2744   -2.2560
C    -0.0184    1.0374   -1.7779
C     0.0241    1.2871   -0.4136
C     0.0372    0.1935    0.4700
O     0.0046    0.5930    1.7680
C    -0.0171   -0.4150    2.7670
H     0.1293   -1.9615    0.6933
H    -0.0189   -2.3678   -1.7450
H    -0.0961   -0.4580   -3.3285
H    -0.0359    1.8756   -2.4796
H     0.0447    2.2938   -0.0131
H    -0.8673   -1.0879    2.6348
H     0.9255   -0.9673    2.7752
H    -0.1338    0.1774    3.6830
 16
 21  E= -0.168361E+02
C     0.0607   -1.1220    0.0095
C     0.0009   -1.3456   -1.3661
C    -0.0441   -0.2759   -2.2558
C    -0.0189    1.0413   -1.7767
C     0.0239    1.2829   -0.4155
C     0.0367    0.1925    0.4688
O     0.0058    0.5946    1.7701
C    -0.0170   -0.4156    2.7668
H     0.1267   -1.9617    0.6954
H    -0.0173   -2.3637   -1.7410
H    -0.0953   -0.4581   -3.3244
H    -0.0373    1.8734   -2.4774
H     0.0448    2.2972   -0.0140
H    -0.8691   -1.0888    2.6357
H     0.9268   -0.9679    2.7776
H    -0.1337    0.1778    3.6872
 16
 22  E= -0.168844E+02
C     0.0592   -1.1222    0.0113
C     0.0018   -1.3425   -1.3656
C    -0.0435   -0.2755   -2.2572
C    -0.0198    1.0381   -1.7780
C     0.0241    1.2854   -0.4155
C     0.0364    0.1938    0.4694
O     0.0073    0.5914    1.7695
C    -0.0171   -0.4150    2.7682
H     0.1230   -1.9615    0.6937
H    -0.0150   -2.3646   -1.7436
H    -0.0938   -0.4580   -3.3245
H    -0.0405    1.8731   -2.4781
H     0.0458    2.2953   -0.0165
H    -0.8694   -1.0880    2.6367
H     0.9267   -0.9677    2.7803
H    -0.1337    0.1768    3.6877
 16
 23  E= -0.168904E+02
C     0.0569   -1.1218    0.0128
C     0.0031   -1.3432   -1.3660
C    -0.0425   -0.2754   -2.2575
C    -0.0211    1.0385   -1.7791
C     0.0240    1.2867   -0.4148
C     0.0359    0.1942    0.4703
O     0.0098    0.5913    1.7697
C    -0.0170   -0.4170    2.7690
H     0.1171   -1.9615    0.6933
H    -0.0113   -2.3643   -1.7445
H    -0.0915   -0.4585   -3.3311
H    -0.0451    1.8724   -2.4800
H     0.0472    2.2955   -0.0192
H    -0.8700   -1.0868    2.6383
H     0.9268   -0.9676    2.7838
H    -0.1337    0.1769    3.6872
 16
 24  E= -0.169086E+02
C     0.0554   -1.1208    0.0123
C     0.0037   -1.3415   -1.3659
C    -0.0417   -0.2755   -2.2585
C    -0.0215    1.0373   -1.7796
C     0.0234    1.2859   -0.4155
C     0.0353    0.1951    0.4710
O     0.0118    0.5911    1.7709
C    -0.0169   -0.4181    2.7690
H     0.1135   -1.9605    0.6940
H    -0.0089   -2.3647   -1.7439
H    -0.0904   -0.4590   -3.3287
H    -0.0467    1.8715   -2.4821
H     0.0469    2.2983   -0.0207
H    -0.8713   -1.0871    2.6383
H     0.9276   -0.9687    2.7854
H    -0.1335    0.1757    3.6870
 16
 25  E= -0.169256E+02
C     0.0534   -1.1179    0.0118
C     0.0041   -1.3413   -1.3640
C    -0.0406   -0.2765   -2.2580
C    -0.0209    1.0365   -1.7795
C     0.0216    1.2883   -0.4175
C     0.0338    0.1983    0.4696
O     0.0148    0.5894    1.7719
C    -0.0165   -0.4203    2.7687
H     0.1099   -1.9569    0.6950
H    -0.0062   -2.3639   -1.7402
H    -0.0903   -0.4609   -3.3250
H    -0.0452    1.8677   -2.4828
H     0.0437    2.3009   -0.0261
H    -0.8736   -1.0888    2.6358
H     0.9290   -0.9721    2.7852
H    -0.1327    0.1702    3.6894
 16
 26  E= -0.169434E+02
C     0.0507   -1.1161    0.0126
C     0.0051   -1.3416   -1.3632
C    -0.0392   -0.2774   -2.2580
C    -0.0214    1.0364   -1.7803
C     0.0201    1.2896   -0.4178
C     0.0327    0.2004    0.4703
O     0.0184    0.5897    1.7732
C    -0.0161   -0.4230    2.7674
H     0.1035   -1.9546    0.6975
H    -0.0019   -2.3646   -1.7381
H    -0.0885   -0.4626   -3.3255
H    -0.0466    1.8662   -2.4860
H     0.0419    2.3042   -0.0283
H    -0.8751   -1.0890    2.6334
H     0.9295   -0.9751    2.7845
H    -0.1322    0.1666    3.6888
 16
 27  E= -0.169680E+02
C     0.0461   -1.1134    0.0148
C     0.0066   -1.3427   -1.3611
C    -0.0369   -0.2786   -2.2564
C    -0.0220    1.0363   -1.7810
C     0.0172    1.2921   -0.4182
C     0.0309    0.2035    0.4707
O     0.0245    0.5911    1.7740
C    -0.0151   -0.4271    2.7640
H     0.0920   -1.9497    0.7020
H     0.0059   -2.3663   -1.7336
H    -0.0851   -0.4659   -3.3257
H    -0.0481    1.8641   -2.4894
H     0.0376    2.3081   -0.0305
H    -0.8764   -1.0889    2.6270
H     0.9290   -0.9818    2.7794
H    -0.1312    0.1592    3.6870
 16
 28  E= -0.169832E+02
C     0.0418   -1.1116    0.0169
C     0.0080   -1.3434   -1.3588
C    -0.0347   -0.2799   -2.2552
C    -0.0232    1.0361   -1.7813
C     0.0148    1.2943   -0.4185
C     0.0297    0.2064    0.4708
O     0.0301    0.5925    1.7747
C    -0.0140   -0.4296    2.7606
H     0.0802   -1.9464    0.7069
H     0.0136   -2.3678   -1.7299
H    -0.0808   -0.4687   -3.3249
H    -0.0499    1.8633   -2.4907
H     0.0335    2.3099   -0.0311
H    -0.8768   -1.0882    2.6193
H     0.9274   -0.9886    2.7725
H    -0.1302    0.1524    3.6861
 16
 29  E= -0.169912E+02
C     0.0395   -1.1105    0.0184
C     0.0088   -1.3435   -1.3569
C    -0.0338   -0.2805   -2.2537
C    -0.0238    1.0357   -1.7815
C     0.0133    1.2948   -0.4189
C     0.0291    0.2076    0.4710
O     0.0332    0.5943    1.7746
C    -0.0133   -0.4305    2.7578
H     0.0735   -1.9441    0.7082
H     0.0177   -2.3680   -1.7266
H    -0.0780   -0.4706   -3.3229
H    -0.0494    1.8631   -2.4902
H     0.0296    2.3099   -0.0313
H    -0.8762   -1.0875    2.6131
H     0.9253   -0.9937    2.7662
H    -0.1290    0.1466    3.6858
 16
 30  E= -0.169950E+02
C     0.0391   -1.1111    0.0190
C     0.0089   -1.3430   -1.3564
C    -0.0337   -0.2804   -2.2538
C    -0.0243    1.0356   -1.7813
C     0.0131    1.2943   -0.4189
C     0.0294    0.2076    0.4710
O     0.0336    0.5953    1.7747
C    -0.0130   -0.4296    2.7572
H     0.0714   -1.9456    0.7091
H     0.0186   -2.3680   -1.7264
H    -0.0761   -0.4708   -3.3227
H    -0.0492    1.8639   -2.4889
H     0.0281    2.3086   -0.0307
H    -0.8755   -1.0868    2.6106
H     0.9238   -0.9954    2.7633
H    -0.1281    0.1453    3.6865
 16
 31  E= -0.169971E+02
C     0.0396   -1.1114    0.0191
C     0.0087   -1.3426   -1.3563
C    -0.0340   -0.2804   -2.2539
C    -0.0243    1.0355   -1.7814
C     0.0130    1.2936   -0.4190
C     0.0297    0.2072    0.4712
O     0.0330    0.5958    1.7747
C    -0.0130   -0.4290    2.7573
H     0.0722   -1.9469    0.7077
H     0.0176   -2.3673   -1.7267
H    -0.0754   -0.4707   -3.3223
H    -0.0479    1.8644   -2.4885
H     0.0270    2.3079   -0.0306
H    -0.8753   -1.0862    2.6105
H     0.9231   -0.9956    2.7626
H    -0.1270    0.1449    3.6872
 16
 32  E= -0.169995E+02
C     0.0400   -1.1119    0.0191
C     0.0084   -1.3421   -1.3564
C    -0.0340   -0.2801   -2.2542
C    -0.0242    1.0355   -1.7814
C     0.0127    1.2930   -0.4190
C     0.0300    0.2067    0.4714
O     0.0326    0.5961    1.7747
C    -0.0130   -0.4284    2.7576
H     0.0725   -1.9488    0.7064
H     0.0165   -2.3666   -1.7271
H    -0.0739   -0.4706   -3.3225
H    -0.0467    1.8645   -2.4884
H     0.0253    2.3076   -0.0312
H    -0.8757   -1.0853    2.6115
H     0.9227   -0.9957    2.7625
H    -0.1251    0.1449    3.6881
 16
 33  E= -0.170031E+02
C     0.0400   -1.1123    0.0191
C     0.0080   -1.3418   -1.3565
C    -0.0334   -0.2799   -2.2546
C    -0.0242    1.0355   -1.7816
C     0.0116    1.2926   -0.4191
C     0.0302    0.2063    0.4717
O     0.0328    0.5964    1.7750
C    -0.0128   -0.4280    2.7581
H     0.0714   -1.9510    0.7046
H     0.0153   -2.3658   -1.7279
H    -0.0704   -0.4706   -3.3229
H    -0.0450    1.8646   -2.4889
H     0.0215    2.3076   -0.0317
H    -0.8771   -1.0830    2.6134
H     0.9221   -0.9966    2.7617
H    -0.1212    0.1448    3.6894
 16
 34  E= -0.170084E+02
C     0.0390   -1.1126    0.0190
C     0.0077   -1.3416   -1.3569
C    -0.0318   -0.2797   -2.2548
C    -0.0242    1.0357   -1.7816
C     0.0094    1.2925   -0.4189
C     0.0299    0.2059    0.4719
O     0.0339    0.5964    1.7751
C    -0.0121   -0.4278    2.7585
H     0.0680   -1.9527    0.7034
H     0.0147   -2.3655   -1.7284
H    -0.0644   -0.4708   -3.3234
H    -0.0435    1.8642   -2.4894
H     0.0157    2.3080   -0.0321
H    -0.8797   -1.0793    2.6166
H     0.9215   -0.9988    2.7600
H    -0.1150    0.1450    3.6905
 16
 35  E= -0.170172E+02
C     0.0368   -1.1129    0.0186
C     0.0072   -1.3419   -1.3574
C    -0.0283   -0.2795   -2.2551
C    -0.0240    1.0359   -1.7814
C     0.0053    1.2925   -0.4186
C     0.0288    0.2055    0.4719
O     0.0360    0.5959    1.7751
C    -0.0106   -0.4276    2.7592
H     0.0621   -1.9537    0.7025
H     0.0135   -2.3655   -1.7295
H    -0.0540   -0.4707   -3.3243
H    -0.0414    1.8640   -2.4898
H     0.0059    2.3082   -0.0315
H    -0.8842   -1.0725    2.6230
H     0.9203   -1.0029    2.7561
H    -0.1042    0.1467    3.6913
 16
 36  E= -0.170267E+02
C     0.0339   -1.1134    0.0180
C     0.0069   -1.3424   -1.3582
C    -0.0239   -0.2793   -2.2553
C    -0.0234    1.0361   -1.7811
C     0.0005    1.2925   -0.4180
C     0.0268    0.2049    0.4716
O     0.0383    0.5952    1.7745
C    -0.0085   -0.4273    2.7597
H     0.0557   -1.9529    0.7031
H     0.0122   -2.3662   -1.7303
H    -0.0427   -0.4701   -3.3250
H    -0.0395    1.8642   -2.4893
H    -0.0049    2.3078   -0.0298
H    -0.8889   -1.0649    2.6305
H     0.9190   -1.0085    2.7509
H    -0.0919    0.1495    3.6914
 16
 37  E= -0.170342E+02
C     0.0308   -1.1136    0.0174
C     0.0068   -1.3430   -1.3589
C    -0.0193   -0.2791   -2.2554
C    -0.0226    1.0362   -1.7808
C    -0.0038    1.2923   -0.4177
C     0.0243    0.2044    0.4711
O     0.0400    0.5943    1.7740
C    -0.0062   -0.4269    2.7601
H     0.0506   -1.9511    0.7045
H     0.0105   -2.3670   -1.7312
H    -0.0330   -0.4687   -3.3253
H    -0.0384    1.8650   -2.4882
H    -0.0140    2.3064   -0.0276
H    -0.8923   -1.0577    2.6380
H     0.9172   -1.0143    2.7456
H    -0.0803    0.1531    3.6907
 16
 38  E= -0.170381E+02
C     0.0290   -1.1140    0.0170
C     0.0069   -1.3431   -1.3593
C    -0.0167   -0.2790   -2.2555
C    -0.0219    1.0362   -1.7807
C    -0.0058    1.2919   -0.4175
C     0.0223    0.2039    0.4707
O     0.0404    0.5939    1.7734
C    -0.0048   -0.4263    2.7605
H     0.0491   -1.9499    0.7055
H     0.0092   -2.3672   -1.7315
H    -0.0287   -0.4674   -3.3254
H    -0.0381    1.8658   -2.4870
H    -0.0179    2.3054   -0.0264
H    -0.8932   -1.0546    2.6420
H     0.9159   -1.0180    2.7426
H    -0.0740    0.1555    3.6905
 16
 39  E= -0.170407E+02
C     0.0277   -1.1141    0.0169
C     0.0071   -1.3431   -1.3593
C    -0.0147   -0.2789   -2.2557
C    -0.0211    1.0361   -1.7808
C    -0.0071    1.2916   -0.4177
C     0.0204    0.2038    0.4707
O     0.0402    0.5938    1.7734
C    -0.0038   -0.4259    2.7608
H     0.0489   -1.9494    0.7059
H     0.0080   -2.3672   -1.7316
H    -0.0266   -0.4665   -3.3254
H    -0.0380    1.8664   -2.4865
H    -0.0200    2.3047   -0.0264
H    -0.8930   -1.0529    2.6449
H     0.9145   -1.0210    2.7406
H    -0.0691    0.1568    3.6903
 16
 40  E= -0.170425E+02
C     0.0271   -1.1142    0.0170
C     0.0073   -1.3428   -1.3593
C    -0.0139   -0.2789   -2.2558
C    -0.0206    1.0361   -1.7809
C    -0.0073    1.2914   -0.4178
C     0.0193    0.2037    0.4707
O     0.0394    0.5938    1.7734
C    -0.0033   -0.4256    2.7611
H     0.0498   -1.9500    0.7055
H     0.0075   -2.3669   -1.7315
H    -0.0264   -0.4662   -3.3255
H    -0.0381    1.8665   -2.4866
H    -0.0198    2.3047   -0.0269
H    -0.8924   -1.0529    2.6460
H     0.9137   -1.0225    2.7398
H    -0.0664    0.1572    3.6909
