 18
 1  E= -0.702869E+02
C     0.0000    0.0000    0.0000
C     1.3395    0.0000    0.0000
C     2.1266    1.2764    0.0000
H     1.8861    1.8712   -0.9065
H     3.2126    1.0466   -0.0005
H     1.8864    1.8711    0.9066
H     1.8737   -0.9461   -0.0004
O    -0.6725   -1.1821    0.0056
O    -0.6923    1.1753    0.0057
C    -2.0444   -1.2249   -0.1591
C    -2.6700   -0.0810    0.6313
H    -2.4297   -2.2065    0.1877
H    -2.2933   -1.1090   -1.2371
C    -2.0762    1.2352    0.1047
H    -2.3949   -0.2092    1.7015
H    -3.7775   -0.0722    0.5452
H    -2.3732    2.0604    0.7855
H    -2.4800    1.4592   -0.9061
 18
 2  E= -0.721677E+02
C     0.0004    0.0050    0.0010
C     1.3414    0.0050    0.0010
C     2.1329    1.2675    0.0010
H     1.9013    1.8705   -0.8921
H     3.2117    1.0436    0.0006
H     1.9011    1.8704    0.8950
H     1.8827   -0.9339   -0.0028
O    -0.6683   -1.1724    0.0090
O    -0.6852    1.1670   -0.0028
C    -2.0630   -1.1992   -0.1562
C    -2.6997   -0.0671    0.6584
H    -2.4283   -2.1843    0.1889
H    -2.3035   -1.1045   -1.2381
C    -2.0829    1.2091    0.0975
H    -2.4530   -0.2168    1.7307
H    -3.8020   -0.0643    0.5795
H    -2.3589    2.0489    0.7645
H    -2.4795    1.4303   -0.9152
 18
 3  E= -0.722605E+02
C     0.0002    0.0052    0.0012
C     1.3415    0.0052    0.0012
C     2.1325    1.2672    0.0012
H     1.9025    1.8710   -0.8904
H     3.2106    1.0455    0.0010
H     1.9013    1.8707    0.8938
H     1.8837   -0.9328   -0.0026
O    -0.6628   -1.1770    0.0084
O    -0.6824    1.1705   -0.0015
C    -2.0573   -1.2147   -0.1579
C    -2.7063   -0.0903    0.6528
H    -2.4112   -2.2033    0.1872
H    -2.2966   -1.1224   -1.2396
C    -2.0816    1.2236    0.0998
H    -2.4624   -0.2346    1.7258
H    -3.8075   -0.0978    0.5717
H    -2.3461    2.0669    0.7668
H    -2.4759    1.4484   -0.9125
 18
 4  E= -0.727521E+02
C     0.0003    0.0056    0.0003
C     1.3422    0.0056    0.0003
C     2.1334    1.2669    0.0003
H     1.9052    1.8715   -0.8904
H     3.2110    1.0468    0.0007
H     1.9029    1.8714    0.8916
H     1.8852   -0.9317   -0.0031
O    -0.6632   -1.1758    0.0080
O    -0.6857    1.1712    0.0021
C    -2.0560   -1.2070   -0.1626
C    -2.6997   -0.0758    0.6394
H    -2.4113   -2.1945    0.1828
H    -2.2902   -1.1150   -1.2447
C    -2.0876    1.2230    0.1052
H    -2.4610   -0.2139    1.7136
H    -3.7998   -0.0760    0.5551
H    -2.3474    2.0653    0.7752
H    -2.4820    1.4512   -0.9059
 18
 5  E= -0.730794E+02
C     0.0006    0.0068    0.0007
C     1.3429    0.0068    0.0007
C     2.1349    1.2664    0.0007
H     1.9099    1.8734   -0.8879
H     3.2118    1.0494    0.0016
H     1.9066    1.8730    0.8899
H     1.8876   -0.9291   -0.0028
O    -0.6603   -1.1767    0.0093
O    -0.6858    1.1728    0.0052
C    -2.0534   -1.2067   -0.1631
C    -2.6988   -0.0745    0.6335
H    -2.4007   -2.1958    0.1836
H    -2.2836   -1.1163   -1.2452
C    -2.0899    1.2278    0.1079
H    -2.4655   -0.2064    1.7093
H    -3.7975   -0.0740    0.5473
H    -2.3379    2.0716    0.7794
H    -2.4800    1.4607   -0.9034
 18
 6  E= -0.735756E+02
C     0.0017    0.0100    0.0032
C     1.3444    0.0100    0.0032
C     2.1389    1.2660    0.0032
H     1.9198    1.8785   -0.8820
H     3.2154    1.0542    0.0044
H     1.9156    1.8774    0.8891
H     1.8920   -0.9238   -0.0014
O    -0.6568   -1.1751    0.0142
O    -0.6853    1.1738    0.0071
C    -2.0526   -1.1968   -0.1563
C    -2.6964   -0.0648    0.6413
H    -2.3857   -2.1888    0.1939
H    -2.2787   -1.1082   -1.2380
C    -2.0920    1.2266    0.1058
H    -2.4701   -0.1937    1.7191
H    -3.7941   -0.0603    0.5552
H    -2.3226    2.0733    0.7777
H    -2.4722    1.4633   -0.9079
 18
 7  E= -0.739899E+02
C     0.0034    0.0150    0.0054
C     1.3453    0.0150    0.0054
C     2.1418    1.2645    0.0054
H     1.9331    1.8864   -0.8752
H     3.2187    1.0638    0.0090
H     1.9249    1.8852    0.8850
H     1.8975   -0.9157   -0.0001
O    -0.6461   -1.1785    0.0201
O    -0.6797    1.1778    0.0218
C    -2.0473   -1.2029   -0.1637
C    -2.7214   -0.0730    0.6070
H    -2.3431   -2.2031    0.1956
H    -2.2540   -1.1277   -1.2479
C    -2.0875    1.2288    0.1227
H    -2.5236   -0.1745    1.6932
H    -3.8166   -0.0828    0.5003
H    -2.2760    2.0774    0.8033
H    -2.4564    1.4794   -0.8901
 18
 8  E= -0.741192E+02
C     0.0061    0.0229    0.0162
C     1.3496    0.0229    0.0162
C     2.1489    1.2689    0.0162
H     1.9483    1.9007   -0.8605
H     3.2282    1.0792    0.0210
H     1.9381    1.8982    0.8929
H     1.9051   -0.9064    0.0071
O    -0.6376   -1.1759    0.0390
O    -0.6823    1.1880    0.0270
C    -2.0358   -1.1827   -0.1329
C    -2.6914   -0.0604    0.6436
H    -2.3000   -2.1887    0.2373
H    -2.2411   -1.1140   -1.2155
C    -2.0957    1.2440    0.1083
H    -2.5000   -0.1616    1.7309
H    -3.7862   -0.0515    0.5357
H    -2.2484    2.1013    0.7882
H    -2.4371    1.5050   -0.9104
 18
 9  E= -0.743500E+02
C     0.0055    0.0213    0.0150
C     1.3483    0.0213    0.0150
C     2.1455    1.2686    0.0150
H     1.9396    1.8957   -0.8638
H     3.2245    1.0744    0.0203
H     1.9297    1.8949    0.8927
H     1.9011   -0.9095    0.0061
O    -0.6416   -1.1720    0.0353
O    -0.6793    1.1835    0.0263
C    -2.0429   -1.1816   -0.1432
C    -2.7087   -0.0605    0.6370
H    -2.3199   -2.1866    0.2235
H    -2.2476   -1.1192   -1.2284
C    -2.0915    1.2291    0.1144
H    -2.5220   -0.1713    1.7243
H    -3.8043   -0.0593    0.5252
H    -2.2616    2.0865    0.7916
H    -2.4454    1.4843   -0.9021
 18
 10  E= -0.743855E+02
C     0.0055    0.0214    0.0175
C     1.3483    0.0214    0.0175
C     2.1436    1.2707    0.0175
H     1.9356    1.8953   -0.8633
H     3.2232    1.0762    0.0236
H     1.9245    1.8955    0.8963
H     1.8992   -0.9107    0.0082
O    -0.6416   -1.1727    0.0401
O    -0.6782    1.1854    0.0325
C    -2.0413   -1.1863   -0.1406
C    -2.7098   -0.0623    0.6300
H    -2.3187   -2.1912    0.2294
H    -2.2458   -1.1272   -1.2262
C    -2.0895    1.2317    0.1156
H    -2.5247   -0.1666    1.7181
H    -3.8056   -0.0631    0.5128
H    -2.2647    2.0847    0.7982
H    -2.4415    1.4916   -0.9004
 18
 11  E= -0.744265E+02
C     0.0059    0.0228    0.0234
C     1.3490    0.0228    0.0234
C     2.1415    1.2745    0.0234
H     1.9315    1.8960   -0.8596
H     3.2218    1.0811    0.0317
H     1.9175    1.8982    0.9025
H     1.8977   -0.9106    0.0131
O    -0.6405   -1.1715    0.0458
O    -0.6759    1.1883    0.0399
C    -2.0388   -1.1859   -0.1401
C    -2.7109   -0.0626    0.6244
H    -2.3144   -2.1921    0.2322
H    -2.2406   -1.1316   -1.2267
C    -2.0874    1.2338    0.1163
H    -2.5357   -0.1677    1.7140
H    -3.8064   -0.0625    0.4956
H    -2.2649    2.0867    0.8004
H    -2.4369    1.4954   -0.8998
 18
 12  E= -0.744795E+02
C     0.0081    0.0298    0.0514
C     1.3527    0.0298    0.0514
C     2.1341    1.2911    0.0514
H     1.9178    1.8986   -0.8397
H     3.2158    1.1035    0.0705
H     1.8885    1.9113    0.9291
H     1.8941   -0.9072    0.0365
O    -0.6336   -1.1656    0.0766
O    -0.6628    1.1999    0.0761
C    -2.0284   -1.1832   -0.1334
C    -2.7181   -0.0573    0.5995
H    -2.2951   -2.1918    0.2526
H    -2.2151   -1.1557   -1.2248
C    -2.0756    1.2412    0.1118
H    -2.5921   -0.1612    1.6952
H    -3.8094   -0.0536    0.4193
H    -2.2666    2.0898    0.8028
H    -2.4033    1.5161   -0.9067
 18
 13  E= -0.745176E+02
C     0.0079    0.0286    0.0481
C     1.3524    0.0286    0.0481
C     2.1354    1.2890    0.0481
H     1.9215    1.8976   -0.8421
H     3.2163    1.1010    0.0672
H     1.8921    1.9102    0.9247
H     1.8963   -0.9066    0.0343
O    -0.6342   -1.1666    0.0701
O    -0.6639    1.1979    0.0701
C    -2.0295   -1.1827   -0.1404
C    -2.7172   -0.0563    0.5975
H    -2.3006   -2.1890    0.2430
H    -2.2144   -1.1492   -1.2315
C    -2.0768    1.2395    0.1089
H    -2.5895   -0.1640    1.6925
H    -3.8081   -0.0508    0.4207
H    -2.2678    2.0902    0.7955
H    -2.4054    1.5088   -0.9107
 18
 14  E= -0.745538E+02
C     0.0077    0.0267    0.0442
C     1.3520    0.0267    0.0442
C     2.1372    1.2862    0.0442
H     1.9281    1.8954   -0.8451
H     3.2166    1.0979    0.0651
H     1.8961    1.9098    0.9179
H     1.9010   -0.9047    0.0326
O    -0.6335   -1.1689    0.0647
O    -0.6638    1.1950    0.0642
C    -2.0304   -1.1857   -0.1461
C    -2.7152   -0.0548    0.5942
H    -2.3064   -2.1875    0.2354
H    -2.2125   -1.1464   -1.2366
C    -2.0772    1.2373    0.0999
H    -2.5845   -0.1630    1.6884
H    -3.8054   -0.0488    0.4231
H    -2.2718    2.0891    0.7802
H    -2.4008    1.5011   -0.9230
 18
 15  E= -0.745858E+02
C     0.0082    0.0271    0.0482
C     1.3528    0.0271    0.0482
C     2.1356    1.2892    0.0482
H     1.9295    1.8941   -0.8436
H     3.2145    1.1029    0.0754
H     1.8886    1.9144    0.9184
H     1.9045   -0.9019    0.0374
O    -0.6308   -1.1692    0.0683
O    -0.6596    1.1967    0.0690
C    -2.0268   -1.1887   -0.1536
C    -2.7169   -0.0530    0.5755
H    -2.3059   -2.1863    0.2319
H    -2.1981   -1.1545   -1.2457
C    -2.0734    1.2378    0.0867
H    -2.6019   -0.1604    1.6710
H    -3.8045   -0.0464    0.3894
H    -2.2770    2.0905    0.7619
H    -2.3836    1.4985   -0.9409
 18
 16  E= -0.745882E+02
C     0.0100    0.0292    0.0635
C     1.3558    0.0292    0.0635
C     2.1242    1.3041    0.0635
H     1.9313    1.8873   -0.8429
H     3.2022    1.1292    0.1221
H     1.8457    1.9375    0.9171
H     1.9178   -0.8909    0.0565
O    -0.6194   -1.1701    0.0892
O    -0.6396    1.2064    0.0872
C    -2.0070   -1.2048   -0.1917
C    -2.7269   -0.0456    0.4682
H    -2.3014   -2.1842    0.2179
H    -2.1224   -1.2078   -1.2905
C    -2.0513    1.2434    0.0061
H    -2.6907   -0.1391    1.5686
H    -3.7985   -0.0422    0.2027
H    -2.3006    2.1026    0.6545
H    -2.2862    1.4908   -1.0440
 18
 17  E= -0.746488E+02
C     0.0088    0.0272    0.0514
C     1.3538    0.0272    0.0514
C     2.1275    1.2965    0.0514
H     1.9308    1.8883   -0.8506
H     3.2066    1.1171    0.0991
H     1.8609    1.9286    0.9108
H     1.9123   -0.8965    0.0440
O    -0.6256   -1.1705    0.0764
O    -0.6492    1.2018    0.0716
C    -2.0161   -1.1986   -0.1811
C    -2.7234   -0.0468    0.5042
H    -2.3063   -2.1855    0.2191
H    -2.1529   -1.1878   -1.2780
C    -2.0625    1.2379    0.0271
H    -2.6516   -0.1427    1.6037
H    -3.8029   -0.0427    0.2724
H    -2.2970    2.0978    0.6819
H    -2.3251    1.4847   -1.0170
 18
 18  E= -0.746718E+02
C     0.0075    0.0253    0.0414
C     1.3523    0.0253    0.0414
C     2.1278    1.2920    0.0414
H     1.9308    1.8869   -0.8596
H     3.2075    1.1110    0.0860
H     1.8654    1.9249    0.9019
H     1.9093   -0.9000    0.0350
O    -0.6287   -1.1714    0.0708
O    -0.6538    1.1993    0.0607
C    -2.0203   -1.1989   -0.1776
C    -2.7235   -0.0487    0.5142
H    -2.3084   -2.1880    0.2222
H    -2.1651   -1.1881   -1.2740
C    -2.0681    1.2351    0.0264
H    -2.6348   -0.1412    1.6135
H    -3.8063   -0.0469    0.2984
H    -2.2979    2.0980    0.6802
H    -2.3383    1.4791   -1.0167
 18
 19  E= -0.747401E+02
C     0.0034    0.0189    0.0123
C     1.3479    0.0189    0.0123
C     2.1219    1.2834    0.0123
H     1.9330    1.8760   -0.8944
H     3.2031    1.1028    0.0653
H     1.8554    1.9240    0.8667
H     1.9047   -0.9077    0.0115
O    -0.6354   -1.1760    0.0568
O    -0.6599    1.1951    0.0257
C    -2.0256   -1.2063   -0.1941
C    -2.7289   -0.0481    0.4830
H    -2.3169   -2.1937    0.2150
H    -2.1668   -1.2110   -1.2918
C    -2.0747    1.2268   -0.0299
H    -2.6260   -0.1230    1.5840
H    -3.8141   -0.0524    0.2777
H    -2.3144    2.1076    0.5983
H    -2.3292    1.4441   -1.0835
 18
 20  E= -0.747944E+02
C    -0.0101   -0.0034   -0.0728
C     1.3340   -0.0034   -0.0728
C     2.0994    1.2618   -0.0728
H     1.9458    1.8318   -1.0052
H     3.1814    1.0863    0.0263
H     1.8018    1.9291    0.7514
H     1.8920   -0.9303   -0.0538
O    -0.6530   -1.1932    0.0208
O    -0.6681    1.1837   -0.0784
C    -2.0346   -1.2393   -0.2721
C    -2.7526   -0.0422    0.3190
H    -2.3444   -2.2071    0.1797
H    -2.1358   -1.3079   -1.3730
C    -2.0747    1.2032   -0.2619
H    -2.6525   -0.0527    1.4262
H    -3.8360   -0.0624    0.1031
H    -2.3603    2.1419    0.2575
H    -2.2355    1.3181   -1.3507
 18
 21  E= -0.748798E+02
C    -0.0062    0.0030   -0.0428
C     1.3381    0.0030   -0.0428
C     2.1084    1.2684   -0.0428
H     1.9436    1.8440   -0.9673
H     3.1892    1.0896    0.0423
H     1.8198    1.9260    0.7914
H     1.8945   -0.9243   -0.0307
O    -0.6485   -1.1891    0.0305
O    -0.6649    1.1864   -0.0427
C    -2.0336   -1.2257   -0.2510
C    -2.7452   -0.0398    0.3716
H    -2.3386   -2.1988    0.1854
H    -2.1484   -1.2676   -1.3510
C    -2.0748    1.2100   -0.1829
H    -2.6488   -0.0753    1.4769
H    -3.8282   -0.0505    0.1560
H    -2.3467    2.1302    0.3724
H    -2.2707    1.3555   -1.2617
 18
 22  E= -0.749291E+02
C    -0.0079    0.0004   -0.0447
C     1.3366    0.0004   -0.0447
C     2.1085    1.2665   -0.0447
H     1.9475    1.8372   -0.9719
H     3.1877    1.0866    0.0466
H     1.8145    1.9251    0.7862
H     1.8918   -0.9273   -0.0320
O    -0.6500   -1.1920    0.0317
O    -0.6633    1.1849   -0.0425
C    -2.0345   -1.2285   -0.2596
C    -2.7483   -0.0368    0.3519
H    -2.3412   -2.1965    0.1835
H    -2.1435   -1.2767   -1.3594
C    -2.0710    1.2094   -0.2017
H    -2.6632   -0.0672    1.4576
H    -3.8289   -0.0458    0.1264
H    -2.3486    2.1314    0.3457
H    -2.2567    1.3490   -1.2831
 18
 23  E= -0.750022E+02
C    -0.0195   -0.0175   -0.0765
C     1.3258   -0.0175   -0.0765
C     2.1074    1.2489   -0.0765
H     1.9682    1.7975   -1.0172
H     3.1795    1.0622    0.0464
H     1.7900    1.9160    0.7369
H     1.8744   -0.9487   -0.0580
O    -0.6623   -1.2094    0.0250
O    -0.6641    1.1723   -0.0717
C    -2.0424   -1.2498   -0.3095
C    -2.7658   -0.0295    0.2430
H    -2.3584   -2.1926    0.1687
H    -2.1266   -1.3349   -1.4067
C    -2.0581    1.1980   -0.3270
H    -2.7185   -0.0227    1.3495
H    -3.8375   -0.0373   -0.0153
H    -2.3620    2.1390    0.1658
H    -2.1892    1.2920   -1.4207
 18
 24  E= -0.750326E+02
C    -0.0201   -0.0188   -0.0851
C     1.3247   -0.0188   -0.0851
C     2.1071    1.2454   -0.0851
H     1.9682    1.7971   -1.0253
H     3.1804    1.0580    0.0358
H     1.7931    1.9139    0.7293
H     1.8739   -0.9504   -0.0656
O    -0.6644   -1.2101    0.0147
O    -0.6685    1.1703   -0.0831
C    -2.0450   -1.2483   -0.3138
C    -2.7647   -0.0306    0.2477
H    -2.3614   -2.1954    0.1591
H    -2.1335   -1.3287   -1.4115
C    -2.0646    1.1925   -0.3283
H    -2.7047   -0.0264    1.3545
H    -3.8393   -0.0382    0.0002
H    -2.3672    2.1365    0.1614
H    -2.2022    1.2802   -1.4219
 18
 25  E= -0.750528E+02
C    -0.0229   -0.0233   -0.1015
C     1.3218   -0.0233   -0.1015
C     2.1054    1.2388   -0.1015
H     1.9716    1.7894   -1.0442
H     3.1788    1.0506    0.0242
H     1.7896    1.9114    0.7096
H     1.8716   -0.9552   -0.0799
O    -0.6680   -1.2138    0.0038
O    -0.6730    1.1666   -0.1001
C    -2.0473   -1.2544   -0.3288
C    -2.7676   -0.0338    0.2253
H    -2.3662   -2.2007    0.1472
H    -2.1320   -1.3416   -1.4266
C    -2.0673    1.1841   -0.3600
H    -2.7033   -0.0224    1.3326
H    -3.8431   -0.0444   -0.0197
H    -2.3758    2.1348    0.1147
H    -2.1941    1.2578   -1.4560
 18
 26  E= -0.750627E+02
C    -0.0316   -0.0378   -0.1481
C     1.3125   -0.0378   -0.1481
C     2.1007    1.2191   -0.1481
H     1.9840    1.7629   -1.0991
H     3.1728    1.0284   -0.0033
H     1.7757    1.9035    0.6511
H     1.8632   -0.9709   -0.1216
O    -0.6776   -1.2266   -0.0245
O    -0.6843    1.1551   -0.1466
C    -2.0505   -1.2780   -0.3824
C    -2.7796   -0.0453    0.1329
H    -2.3784   -2.2166    0.1085
H    -2.1143   -1.3928   -1.4793
C    -2.0670    1.1600   -0.4714
H    -2.7225   -0.0070    1.2416
H    -3.8532   -0.0666   -0.1225
H    -2.3980    2.1276   -0.0451
H    -2.1464    1.1941   -1.5739
 18
 27  E= -0.750816E+02
C    -0.0287   -0.0329   -0.1315
C     1.3155   -0.0329   -0.1315
C     2.1034    1.2250   -0.1315
H     1.9796    1.7727   -1.0784
H     3.1760    1.0345    0.0047
H     1.7833    1.9043    0.6734
H     1.8655   -0.9660   -0.1087
O    -0.6737   -1.2229   -0.0154
O    -0.6816    1.1583   -0.1277
C    -2.0483   -1.2713   -0.3671
C    -2.7771   -0.0439    0.1608
H    -2.3728   -2.2129    0.1179
H    -2.1176   -1.3763   -1.4645
C    -2.0687    1.1662   -0.4307
H    -2.7224   -0.0158    1.2693
H    -3.8503   -0.0625   -0.0954
H    -2.3952    2.1245    0.0180
H    -2.1642    1.2204   -1.5309
 18
 28  E= -0.750939E+02
C    -0.0280   -0.0317   -0.1262
C     1.3163   -0.0317   -0.1262
C     2.1039    1.2268   -0.1262
H     1.9776    1.7755   -1.0718
H     3.1765    1.0369    0.0076
H     1.7846    1.9039    0.6807
H     1.8658   -0.9650   -0.1060
O    -0.6721   -1.2225   -0.0138
O    -0.6808    1.1591   -0.1191
C    -2.0452   -1.2715   -0.3716
C    -2.7780   -0.0461    0.1551
H    -2.3704   -2.2134    0.1116
H    -2.1096   -1.3751   -1.4693
C    -2.0675    1.1679   -0.4237
H    -2.7354   -0.0231    1.2641
H    -3.8486   -0.0640   -0.1121
H    -2.3958    2.1219    0.0328
H    -2.1614    1.2317   -1.5233
 18
 29  E= -0.751265E+02
C    -0.0299   -0.0340   -0.1255
C     1.3147   -0.0340   -0.1255
C     2.1037    1.2245   -0.1255
H     1.9726    1.7759   -1.0678
H     3.1759    1.0357    0.0040
H     1.7856    1.8964    0.6859
H     1.8616   -0.9690   -0.1172
O    -0.6697   -1.2285   -0.0250
O    -0.6838    1.1556   -0.1011
C    -2.0296   -1.2854   -0.4326
C    -2.7905   -0.0640    0.0650
H    -2.3661   -2.2251    0.0451
H    -2.0535   -1.3933   -1.5309
C    -2.0596    1.1643   -0.4531
H    -2.8197   -0.0554    1.1742
H    -3.8422   -0.0833   -0.2697
H    -2.4104    2.1030    0.0177
H    -2.1157    1.2586   -1.5525
 18
 30  E= -0.751507E+02
C    -0.0331   -0.0392   -0.1412
C     1.3112   -0.0392   -0.1412
C     2.1021    1.2176   -0.1412
H     1.9737    1.7689   -1.0845
H     3.1741    1.0275   -0.0099
H     1.7843    1.8915    0.6688
H     1.8572   -0.9752   -0.1321
O    -0.6745   -1.2331   -0.0373
O    -0.6891    1.1504   -0.1159
C    -2.0321   -1.2913   -0.4528
C    -2.7955   -0.0668    0.0365
H    -2.3721   -2.2299    0.0253
H    -2.0502   -1.4018   -1.5510
C    -2.0609    1.1576   -0.4848
H    -2.8272   -0.0536    1.1460
H    -3.8462   -0.0871   -0.3012
H    -2.4166    2.0999   -0.0251
H    -2.1043    1.2436   -1.5858
 18
 31  E= -0.752003E+02
C    -0.0506   -0.0665   -0.2227
C     1.2927   -0.0665   -0.2227
C     2.0898    1.1829   -0.2227
H     1.9689    1.7370   -1.1686
H     3.1627    0.9883   -0.0884
H     1.7769    1.8642    0.5841
H     1.8343   -1.0077   -0.2132
O    -0.7009   -1.2576   -0.1104
O    -0.7184    1.1220   -0.1850
C    -2.0357   -1.3264   -0.5968
C    -2.8273   -0.0911   -0.1659
H    -2.4019   -2.2611   -0.1273
H    -1.9965   -1.4473   -1.6930
C    -2.0567    1.1285   -0.6671
H    -2.9117   -0.0661    0.9421
H    -3.8597   -0.1160   -0.5575
H    -2.4414    2.0838   -0.2592
H    -2.0086    1.1884   -1.7719
 18
 32  E= -0.752219E+02
C    -0.0458   -0.0587   -0.2005
C     1.2977   -0.0587   -0.2005
C     2.0908    1.1938   -0.2005
H     1.9616    1.7514   -1.1430
H     3.1652    1.0008   -0.0755
H     1.7824    1.8706    0.6115
H     1.8412   -0.9979   -0.1900
O    -0.6970   -1.2493   -0.0988
O    -0.7126    1.1291   -0.1679
C    -2.0379   -1.3083   -0.5675
C    -2.8222   -0.0791   -0.1108
H    -2.4001   -2.2493   -0.1084
H    -2.0121   -1.4133   -1.6663
C    -2.0633    1.1363   -0.6112
H    -2.8920   -0.0674    0.9978
H    -3.8599   -0.0971   -0.4886
H    -2.4384    2.0866   -0.1834
H    -2.0437    1.2074   -1.7163
 18
 33  E= -0.752391E+02
C    -0.0459   -0.0589   -0.1966
C     1.2976   -0.0589   -0.1966
C     2.0913    1.1943   -0.1966
H     1.9595    1.7519   -1.1382
H     3.1655    1.0006   -0.0742
H     1.7837    1.8693    0.6171
H     1.8407   -0.9982   -0.1864
O    -0.6976   -1.2494   -0.0946
O    -0.7120    1.1289   -0.1585
C    -2.0367   -1.3079   -0.5693
C    -2.8237   -0.0799   -0.1151
H    -2.3998   -2.2476   -0.1092
H    -2.0069   -1.4149   -1.6678
C    -2.0617    1.1404   -0.6047
H    -2.9022   -0.0700    0.9928
H    -3.8586   -0.0970   -0.5001
H    -2.4365    2.0878   -0.1703
H    -2.0419    1.2194   -1.7089
 18
 34  E= -0.752598E+02
C    -0.0490   -0.0636   -0.1990
C     1.2943   -0.0636   -0.1990
C     2.0888    1.1910   -0.1990
H     1.9484    1.7511   -1.1374
H     3.1634    0.9955   -0.0863
H     1.7866    1.8611    0.6207
H     1.8376   -1.0029   -0.1892
O    -0.7046   -1.2531   -0.1005
O    -0.7157    1.1232   -0.1438
C    -2.0316   -1.3106   -0.6103
C    -2.8331   -0.0858   -0.1735
H    -2.4045   -2.2495   -0.1579
H    -1.9738   -1.4183   -1.7079
C    -2.0545    1.1473   -0.6228
H    -2.9519   -0.0843    0.9305
H    -3.8537   -0.0997   -0.5952
H    -2.4356    2.0879   -0.1787
H    -2.0115    1.2466   -1.7243
 18
 35  E= -0.752755E+02
C    -0.0476   -0.0616   -0.1932
C     1.2958   -0.0616   -0.1932
C     2.0883    1.1943   -0.1932
H     1.9448    1.7556   -1.1304
H     3.1636    0.9995   -0.0837
H     1.7879    1.8632    0.6282
H     1.8408   -0.9995   -0.1813
O    -0.7044   -1.2503   -0.0974
O    -0.7142    1.1252   -0.1400
C    -2.0337   -1.3039   -0.6007
C    -2.8315   -0.0806   -0.1548
H    -2.4055   -2.2459   -0.1535
H    -1.9808   -1.4048   -1.6994
C    -2.0563    1.1488   -0.6092
H    -2.9419   -0.0823    0.9500
H    -3.8552   -0.0920   -0.5691
H    -2.4343    2.0893   -0.1621
H    -2.0206    1.2484   -1.7110
 18
 36  E= -0.752968E+02
C    -0.0467   -0.0611   -0.1848
C     1.2964   -0.0611   -0.1848
C     2.0838    1.1989   -0.1848
H     1.9257    1.7665   -1.1158
H     3.1613    1.0055   -0.0918
H     1.7934    1.8611    0.6454
H     1.8471   -0.9952   -0.1676
O    -0.7097   -1.2473   -0.0993
O    -0.7150    1.1240   -0.1234
C    -2.0339   -1.2909   -0.6158
C    -2.8344   -0.0737   -0.1613
H    -2.4114   -2.2415   -0.1915
H    -1.9692   -1.3722   -1.7161
C    -2.0545    1.1553   -0.5986
H    -2.9537   -0.0889    0.9425
H    -3.8550   -0.0772   -0.5840
H    -2.4323    2.0914   -0.1415
H    -2.0146    1.2682   -1.6987
 18
 37  E= -0.753126E+02
C    -0.0478   -0.0640   -0.1873
C     1.2949   -0.0640   -0.1873
C     2.0807    1.1977   -0.1873
H     1.9155    1.7690   -1.1147
H     3.1590    1.0052   -0.1027
H     1.7957    1.8562    0.6476
H     1.8484   -0.9962   -0.1686
O    -0.7140   -1.2491   -0.1071
O    -0.7184    1.1198   -0.1174
C    -2.0301   -1.2899   -0.6443
C    -2.8380   -0.0755   -0.1953
H    -2.4138   -2.2438   -0.2332
H    -1.9482   -1.3631   -1.7442
C    -2.0502    1.1567   -0.6137
H    -2.9752   -0.0966    0.9063
H    -3.8517   -0.0764   -0.6343
H    -2.4334    2.0905   -0.1562
H    -1.9948    1.2761   -1.7122
 18
 38  E= -0.753275E+02
C    -0.0501   -0.0699   -0.1954
C     1.2919   -0.0699   -0.1954
C     2.0760    1.1936   -0.1954
H     1.9015    1.7709   -1.1171
H     3.1552    1.0037   -0.1215
H     1.7973    1.8462    0.6463
H     1.8491   -1.0000   -0.1776
O    -0.7189   -1.2550   -0.1233
O    -0.7260    1.1106   -0.1092
C    -2.0160   -1.2962   -0.7059
C    -2.8417   -0.0862   -0.2768
H    -2.4110   -2.2540   -0.3150
H    -1.8969   -1.3607   -1.8028
C    -2.0377    1.1564   -0.6563
H    -3.0198   -0.1133    0.8189
H    -3.8385   -0.0864   -0.7530
H    -2.4365    2.0864   -0.2049
H    -1.9444    1.2853   -1.7506
 18
 39  E= -0.753392E+02
C    -0.0482   -0.0668   -0.1897
C     1.2940   -0.0668   -0.1897
C     2.0776    1.1966   -0.1897
H     1.9055    1.7731   -1.1121
H     3.1567    1.0080   -0.1125
H     1.7961    1.8497    0.6507
H     1.8502   -0.9973   -0.1740
O    -0.7142   -1.2532   -0.1171
O    -0.7235    1.1138   -0.1077
C    -2.0154   -1.2955   -0.6899
C    -2.8379   -0.0856   -0.2555
H    -2.4071   -2.2527   -0.2946
H    -1.9046   -1.3616   -1.7875
C    -2.0399    1.1545   -0.6434
H    -3.0069   -0.1107    0.8415
H    -3.8385   -0.0875   -0.7233
H    -2.4381    2.0842   -0.1912
H    -1.9554    1.2812   -1.7386
 18
 40  E= -0.753460E+02
C    -0.0455   -0.0627   -0.1853
C     1.2972   -0.0627   -0.1853
C     2.0801    1.2000   -0.1853
H     1.9146    1.7744   -1.1102
H     3.1589    1.0144   -0.0991
H     1.7907    1.8549    0.6514
H     1.8504   -0.9949   -0.1744
O    -0.7056   -1.2518   -0.1072
O    -0.7220    1.1171   -0.1103
C    -2.0117   -1.3005   -0.6672
C    -2.8304   -0.0899   -0.2292
H    -2.3981   -2.2549   -0.2604
H    -1.9129   -1.3746   -1.7651
C    -2.0421    1.1461   -0.6371
H    -2.9816   -0.1054    0.8703
H    -3.8382   -0.0988   -0.6807
H    -2.4426    2.0789   -0.1941
H    -1.9657    1.2600   -1.7344
 18
 41  E= -0.753532E+02
C    -0.0457   -0.0637   -0.1870
C     1.2968   -0.0637   -0.1870
C     2.0787    1.1996   -0.1870
H     1.9114    1.7751   -1.1108
H     3.1578    1.0151   -0.1025
H     1.7898    1.8533    0.6510
H     1.8503   -0.9957   -0.1764
O    -0.7062   -1.2529   -0.1092
O    -0.7241    1.1148   -0.1097
C    -2.0081   -1.3023   -0.6790
C    -2.8305   -0.0924   -0.2455
H    -2.3967   -2.2575   -0.2762
H    -1.9017   -1.3750   -1.7762
C    -2.0393    1.1442   -0.6489
H    -2.9876   -0.1076    0.8531
H    -3.8356   -0.1017   -0.7026
H    -2.4433    2.0778   -0.2110
H    -1.9536    1.2561   -1.7457
 18
 42  E= -0.753539E+02
C    -0.0461   -0.0636   -0.1861
C     1.2968   -0.0636   -0.1861
C     2.0795    1.1996   -0.1861
H     1.9122    1.7751   -1.1097
H     3.1584    1.0143   -0.1022
H     1.7914    1.8531    0.6520
H     1.8505   -0.9955   -0.1757
O    -0.7074   -1.2526   -0.1096
O    -0.7238    1.1152   -0.1080
C    -2.0077   -1.3004   -0.6838
C    -2.8314   -0.0902   -0.2538
H    -2.3989   -2.2548   -0.2823
H    -1.8970   -1.3734   -1.7806
C    -2.0377    1.1464   -0.6492
H    -2.9941   -0.1065    0.8440
H    -3.8342   -0.0988   -0.7158
H    -2.4419    2.0791   -0.2102
H    -1.9494    1.2607   -1.7455
 18
 43  E= -0.753640E+02
C    -0.0449   -0.0643   -0.1863
C     1.2970   -0.0643   -0.1863
C     2.0762    1.2009   -0.1863
H     1.9053    1.7782   -1.1079
H     3.1559    1.0192   -0.1044
H     1.7872    1.8514    0.6543
H     1.8506   -0.9958   -0.1777
O    -0.7054   -1.2540   -0.1068
O    -0.7277    1.1106   -0.1042
C    -1.9963   -1.3075   -0.7009
C    -2.8283   -0.0990   -0.2834
H    -2.3903   -2.2632   -0.3051
H    -1.8701   -1.3812   -1.7959
C    -2.0298    1.1402   -0.6755
H    -3.0011   -0.1115    0.8126
H    -3.8261   -0.1109   -0.7553
H    -2.4430    2.0755   -0.2509
H    -1.9188    1.2471   -1.7705
 18
 44  E= -0.753671E+02
C    -0.0425   -0.0599   -0.1729
C     1.2994   -0.0599   -0.1729
C     2.0785    1.2058   -0.1729
H     1.9049    1.7834   -1.0936
H     3.1582    1.0228   -0.0939
H     1.7914    1.8551    0.6694
H     1.8530   -0.9912   -0.1648
O    -0.7028   -1.2493   -0.0923
O    -0.7239    1.1147   -0.0910
C    -1.9954   -1.3029   -0.6815
C    -2.8266   -0.0953   -0.2631
H    -2.3881   -2.2583   -0.2833
H    -1.8719   -1.3787   -1.7768
C    -2.0307    1.1447   -0.6520
H    -3.0009   -0.1118    0.8326
H    -3.8241   -0.1056   -0.7361
H    -2.4434    2.0748   -0.2154
H    -1.9256    1.2630   -1.7463
 18
 45  E= -0.753670E+02
C    -0.0451   -0.0620   -0.1749
C     1.2981   -0.0620   -0.1749
C     2.0792    1.2038   -0.1749
H     1.8994    1.7846   -1.0919
H     3.1587    1.0170   -0.1057
H     1.8006    1.8504    0.6716
H     1.8526   -0.9932   -0.1630
O    -0.7123   -1.2483   -0.0970
O    -0.7289    1.1115   -0.0895
C    -1.9950   -1.2945   -0.7085
C    -2.8320   -0.0875   -0.3007
H    -2.3977   -2.2503   -0.3230
H    -1.8524   -1.3642   -1.8024
C    -2.0281    1.1495   -0.6660
H    -3.0237   -0.1098    0.7924
H    -3.8218   -0.0911   -0.7884
H    -2.4407    2.0801   -0.2316
H    -1.9100    1.2692   -1.7583
 18
 46  E= -0.753796E+02
C    -0.0434   -0.0609   -0.1719
C     1.2990   -0.0609   -0.1719
C     2.0792    1.2051   -0.1719
H     1.8995    1.7863   -1.0885
H     3.1589    1.0198   -0.1018
H     1.7993    1.8510    0.6750
H     1.8533   -0.9919   -0.1621
O    -0.7084   -1.2483   -0.0916
O    -0.7288    1.1110   -0.0855
C    -1.9874   -1.3002   -0.7100
C    -2.8284   -0.0936   -0.3101
H    -2.3899   -2.2558   -0.3235
H    -1.8390   -1.3737   -1.8027
C    -2.0232    1.1467   -0.6739
H    -3.0270   -0.1136    0.7818
H    -3.8151   -0.1004   -0.8040
H    -2.4417    2.0767   -0.2441
H    -1.8955    1.2660   -1.7652
 18
 47  E= -0.753823E+02
C    -0.0424   -0.0607   -0.1708
C     1.2995   -0.0607   -0.1708
C     2.0798    1.2052   -0.1708
H     1.8986    1.7883   -1.0856
H     3.1595    1.0204   -0.1030
H     1.8014    1.8493    0.6780
H     1.8538   -0.9916   -0.1622
O    -0.7069   -1.2485   -0.0890
O    -0.7316    1.1086   -0.0834
C    -1.9751   -1.3061   -0.7286
C    -2.8248   -0.1000   -0.3464
H    -2.3816   -2.2616   -0.3465
H    -1.8085   -1.3824   -1.8184
C    -2.0139    1.1431   -0.6985
H    -3.0426   -0.1185    0.7419
H    -3.8025   -0.1091   -0.8575
H    -2.4420    2.0734   -0.2794
H    -1.8646    1.2600   -1.7870
 18
 48  E= -0.753856E+02
C    -0.0420   -0.0601   -0.1712
C     1.2997   -0.0601   -0.1712
C     2.0808    1.2048   -0.1712
H     1.9014    1.7875   -1.0869
H     3.1604    1.0196   -0.1018
H     1.8018    1.8502    0.6764
H     1.8537   -0.9913   -0.1621
O    -0.7059   -1.2480   -0.0896
O    -0.7302    1.1101   -0.0868
C    -1.9771   -1.3058   -0.7231
C    -2.8245   -0.0987   -0.3381
H    -2.3820   -2.2610   -0.3380
H    -1.8157   -1.3831   -1.8135
C    -2.0158    1.1427   -0.6949
H    -3.0393   -0.1167    0.7507
H    -3.8036   -0.1076   -0.8466
H    -2.4429    2.0729   -0.2741
H    -1.8722    1.2595   -1.7843
 18
 49  E= -0.753870E+02
C    -0.0427   -0.0601   -0.1754
C     1.2994   -0.0601   -0.1754
C     2.0822    1.2029   -0.1754
H     1.9051    1.7848   -1.0926
H     3.1617    1.0161   -0.1043
H     1.8034    1.8505    0.6705
H     1.8525   -0.9922   -0.1633
O    -0.7075   -1.2470   -0.0920
O    -0.7292    1.1123   -0.0957
C    -1.9834   -1.3045   -0.7161
C    -2.8266   -0.0950   -0.3285
H    -2.3865   -2.2581   -0.3244
H    -1.8301   -1.3853   -1.8074
C    -2.0193    1.1435   -0.6928
H    -3.0371   -0.1106    0.7611
H    -3.8081   -0.1032   -0.8334
H    -2.4431    2.0743   -0.2690
H    -1.8855    1.2597   -1.7838
 18
 50  E= -0.753892E+02
C    -0.0423   -0.0599   -0.1750
C     1.2996   -0.0599   -0.1750
C     2.0825    1.2031   -0.1750
H     1.9047    1.7856   -1.0916
H     3.1620    1.0162   -0.1050
H     1.8046    1.8502    0.6716
H     1.8526   -0.9920   -0.1622
O    -0.7076   -1.2464   -0.0907
O    -0.7296    1.1121   -0.0956
C    -1.9807   -1.3052   -0.7206
C    -2.8258   -0.0952   -0.3385
H    -2.3853   -2.2582   -0.3295
H    -1.8225   -1.3873   -1.8111
C    -2.0167    1.1434   -0.6993
H    -3.0422   -0.1099    0.7499
H    -3.8047   -0.1039   -0.8486
H    -2.4422    2.0745   -0.2781
H    -1.8776    1.2590   -1.7897
 18
 51  E= -0.753915E+02
C    -0.0419   -0.0590   -0.1738
C     1.3002   -0.0590   -0.1738
C     2.0839    1.2033   -0.1738
H     1.9056    1.7866   -1.0898
H     3.1633    1.0158   -0.1050
H     1.8073    1.8501    0.6734
H     1.8531   -0.9912   -0.1605
O    -0.7079   -1.2451   -0.0888
O    -0.7299    1.1126   -0.0957
C    -1.9757   -1.3055   -0.7291
C    -2.8245   -0.0949   -0.3578
H    -2.3838   -2.2573   -0.3389
H    -1.8081   -1.3909   -1.8179
C    -2.0117    1.1439   -0.7104
H    -3.0530   -0.1086    0.7281
H    -3.7974   -0.1041   -0.8788
H    -2.4413    2.0746   -0.2927
H    -1.8629    1.2598   -1.7994
 18
 52  E= -0.753904E+02
C    -0.0394   -0.0574   -0.1754
C     1.3012   -0.0574   -0.1754
C     2.0862    1.2031   -0.1754
H     1.9054    1.7897   -1.0890
H     3.1658    1.0152   -0.1112
H     1.8138    1.8486    0.6742
H     1.8525   -0.9906   -0.1557
O    -0.7092   -1.2400   -0.0831
O    -0.7315    1.1125   -0.1053
C    -1.9583   -1.3099   -0.7584
C    -2.8179   -0.0949   -0.4267
H    -2.3770   -2.2567   -0.3677
H    -1.7610   -1.4088   -1.8408
C    -1.9923    1.1439   -0.7616
H    -3.0843   -0.0975    0.6501
H    -3.7718   -0.1085   -0.9818
H    -2.4323    2.0786   -0.3644
H    -1.8106    1.2518   -1.8465
 18
 53  E= -0.753950E+02
C    -0.0405   -0.0576   -0.1736
C     1.3011   -0.0576   -0.1736
C     2.0852    1.2039   -0.1736
H     1.9049    1.7891   -1.0881
H     3.1647    1.0164   -0.1078
H     1.8111    1.8498    0.6751
H     1.8534   -0.9902   -0.1562
O    -0.7090   -1.2417   -0.0846
O    -0.7305    1.1133   -0.1005
C    -1.9681   -1.3062   -0.7412
C    -2.8216   -0.0931   -0.3886
H    -2.3815   -2.2554   -0.3504
H    -1.7869   -1.3982   -1.8271
C    -2.0026    1.1441   -0.7345
H    -3.0677   -0.1009    0.6931
H    -3.7859   -0.1043   -0.9256
H    -2.4371    2.0769   -0.3267
H    -1.8389    1.2555   -1.8218
 18
 54  E= -0.753935E+02
C    -0.0410   -0.0583   -0.1734
C     1.3007   -0.0583   -0.1734
C     2.0837    1.2043   -0.1734
H     1.9042    1.7882   -1.0887
H     3.1633    1.0176   -0.1058
H     1.8077    1.8505    0.6744
H     1.8535   -0.9905   -0.1571
O    -0.7080   -1.2434   -0.0852
O    -0.7297    1.1131   -0.0977
C    -1.9758   -1.3053   -0.7252
C    -2.8240   -0.0936   -0.3557
H    -2.3837   -2.2561   -0.3326
H    -1.8093   -1.3928   -1.8139
C    -2.0107    1.1438   -0.7136
H    -3.0511   -0.1031    0.7303
H    -3.7976   -0.1042   -0.8755
H    -2.4394    2.0763   -0.2990
H    -1.8625    1.2558   -1.8031
 18
 55  E= -0.753950E+02
C    -0.0405   -0.0575   -0.1728
C     1.3012   -0.0575   -0.1728
C     2.0846    1.2046   -0.1728
H     1.9044    1.7893   -1.0875
H     3.1642    1.0177   -0.1064
H     1.8097    1.8505    0.6756
H     1.8538   -0.9899   -0.1551
O    -0.7084   -1.2419   -0.0832
O    -0.7298    1.1136   -0.0992
C    -1.9718   -1.3056   -0.7315
C    -2.8225   -0.0929   -0.3714
H    -2.3825   -2.2552   -0.3390
H    -1.7980   -1.3963   -1.8187
C    -2.0063    1.1441   -0.7245
H    -3.0591   -0.1004    0.7125
H    -3.7915   -0.1043   -0.8997
H    -2.4377    2.0771   -0.3141
H    -1.8503    1.2548   -1.8129
 18
 56  E= -0.753900E+02
C    -0.0377   -0.0539   -0.1683
C     1.3037   -0.0539   -0.1683
C     2.0885    1.2067   -0.1683
H     1.9045    1.7951   -1.0797
H     3.1681    1.0189   -0.1083
H     1.8190    1.8502    0.6834
H     1.8556   -0.9865   -0.1453
O    -0.7098   -1.2351   -0.0728
O    -0.7309    1.1154   -0.1037
C    -1.9516   -1.3076   -0.7600
C    -2.8144   -0.0914   -0.4442
H    -2.3752   -2.2521   -0.3694
H    -1.7432   -1.4123   -1.8397
C    -1.9841    1.1453   -0.7736
H    -3.0945   -0.0896    0.6289
H    -3.7610   -0.1075   -1.0112
H    -2.4286    2.0806   -0.3835
H    -1.7903    1.2501   -1.8562
 18
 57  E= -0.753960E+02
C    -0.0394   -0.0562   -0.1709
C     1.3021   -0.0562   -0.1709
C     2.0859    1.2055   -0.1709
H     1.9046    1.7914   -1.0845
H     3.1656    1.0183   -0.1065
H     1.8127    1.8506    0.6786
H     1.8545   -0.9885   -0.1512
O    -0.7087   -1.2395   -0.0791
O    -0.7298    1.1145   -0.1009
C    -1.9660   -1.3057   -0.7385
C    -2.8201   -0.0916   -0.3918
H    -2.3806   -2.2536   -0.3459
H    -1.7825   -1.4012   -1.8236
C    -1.9998    1.1445   -0.7390
H    -3.0694   -0.0956    0.6891
H    -3.7828   -0.1045   -0.9314
H    -2.4350    2.0785   -0.3351
H    -1.8330    1.2527   -1.8260
