 17
 1  E= -0.223669E+02
C     0.1039    0.7849    1.1769
C    -0.2910    0.4163    2.5976
O     0.2615   -0.8491    2.9293
C    -0.2623   -0.0156    0.1397
C     0.1326    0.3530   -1.2811
C    -0.2336   -0.4475   -2.3183
C     0.1613   -0.0789   -3.7390
H     0.6700    1.6740    0.9925
H    -1.3575    0.3701    2.6708
H     0.0813    1.1565    3.2747
H     1.2582   -0.8060    2.8609
H    -0.8283   -0.9047    0.3240
H     0.6987    1.2421   -1.4655
H    -0.7996   -1.3366   -2.1339
H    -0.7199    0.0479   -4.3327
H     0.7629   -0.8594   -4.1559
H     0.7189    0.8343   -3.7287
 17
 2  E= -0.271763E+02
C     0.0928    0.7621    1.1521
C    -0.2787    0.4172    2.5648
O     0.2612   -0.8488    2.9291
C    -0.2476    0.0170    0.1238
C     0.1167    0.3227   -1.2642
C    -0.2232   -0.4233   -2.3018
C     0.1554   -0.0855   -3.6982
H     0.6703    1.6795    0.9996
H    -1.3689    0.3592    2.6776
H     0.0830    1.1653    3.2935
H     1.2504   -0.8054    2.8605
H    -0.8302   -0.9118    0.3169
H     0.6996    1.2482   -1.4565
H    -0.8009   -1.3428   -2.1420
H    -0.7261    0.0502   -4.3452
H     0.7693   -0.8661   -4.1657
H     0.7241    0.8468   -3.7349
 17
 3  E= -0.276792E+02
C     0.0969    0.7735    1.1651
C    -0.2724    0.4190    2.5558
O     0.2596   -0.8473    2.9279
C    -0.2501    0.0055    0.0967
C     0.1177    0.3309   -1.2424
C    -0.2262   -0.4325   -2.3080
C     0.1532   -0.0863   -3.6897
H     0.6699    1.6798    1.0055
H    -1.3731    0.3515    2.6811
H     0.0837    1.1670    3.2980
H     1.2451   -0.8067    2.8601
H    -0.8290   -0.9102    0.3094
H     0.6982    1.2461   -1.4473
H    -0.8008   -1.3433   -2.1488
H    -0.7274    0.0507   -4.3466
H     0.7709   -0.8682   -4.1669
H     0.7267    0.8515   -3.7386
 17
 4  E= -0.288184E+02
C     0.1010    0.7793    1.1512
C    -0.2697    0.4214    2.5608
O     0.2570   -0.8456    2.9248
C    -0.2549   -0.0064    0.1176
C     0.1226    0.3424   -1.2593
C    -0.2295   -0.4415   -2.2947
C     0.1537   -0.0832   -3.6964
H     0.6693    1.6802    1.0140
H    -1.3742    0.3408    2.6843
H     0.0836    1.1656    3.2985
H     1.2392   -0.8098    2.8594
H    -0.8266   -0.9068    0.2965
H     0.6958    1.2414   -1.4319
H    -0.8004   -1.3438   -2.1586
H    -0.7263    0.0505   -4.3432
H     0.7712   -0.8677   -4.1642
H     0.7286    0.8541   -3.7420
 17
 5  E= -0.289126E+02
C     0.0984    0.7651    1.1486
C    -0.2691    0.4313    2.5734
O     0.2567   -0.8382    2.9155
C    -0.2474    0.0114    0.1223
C     0.1161    0.3238   -1.2513
C    -0.2259   -0.4325   -2.3042
C     0.1521   -0.0868   -3.7043
H     0.6714    1.6886    1.0231
H    -1.3701    0.3245    2.6873
H     0.0846    1.1641    3.2912
H     1.2343   -0.8160    2.8562
H    -0.8271   -0.9132    0.2703
H     0.6960    1.2448   -1.3986
H    -0.8027   -1.3533   -2.1735
H    -0.7264    0.0483   -4.3268
H     0.7698   -0.8660   -4.1499
H     0.7285    0.8518   -3.7482
 17
 6  E= -0.290583E+02
C     0.1010    0.7735    1.1647
C    -0.2697    0.4305    2.5600
O     0.2563   -0.8376    2.9160
C    -0.2482    0.0049    0.1136
C     0.1144    0.3191   -1.2645
C    -0.2253   -0.4287   -2.2952
C     0.1522   -0.0851   -3.6940
H     0.6719    1.6892    1.0251
H    -1.3675    0.3196    2.6888
H     0.0868    1.1688    3.2966
H     1.2334   -0.8184    2.8546
H    -0.8272   -0.9143    0.2665
H     0.6959    1.2447   -1.3929
H    -0.8033   -1.3546   -2.1779
H    -0.7295    0.0481   -4.3300
H     0.7702   -0.8686   -4.1511
H     0.7282    0.8502   -3.7509
 17
 7  E= -0.293348E+02
C     0.1040    0.7818    1.1559
C    -0.2702    0.4272    2.5541
O     0.2553   -0.8392    2.9184
C    -0.2507   -0.0025    0.1166
C     0.1191    0.3337   -1.2503
C    -0.2300   -0.4409   -2.3070
C     0.1532   -0.0824   -3.6861
H     0.6717    1.6876    1.0260
H    -1.3663    0.3173    2.6898
H     0.0887    1.1738    3.3021
H     1.2332   -0.8195    2.8532
H    -0.8266   -0.9130    0.2673
H     0.6950    1.2421   -1.3934
H    -0.8026   -1.3523   -2.1801
H    -0.7331    0.0480   -4.3347
H     0.7710   -0.8719   -4.1537
H     0.7282    0.8498   -3.7526
 17
 8  E= -0.293837E+02
C     0.1016    0.7765    1.1450
C    -0.2694    0.4302    2.5664
O     0.2541   -0.8391    2.9184
C    -0.2481    0.0025    0.1092
C     0.1183    0.3314   -1.2433
C    -0.2295   -0.4390   -2.2884
C     0.1539   -0.0826   -3.7036
H     0.6726    1.6909    1.0265
H    -1.3653    0.3114    2.6894
H     0.0880    1.1725    3.2977
H     1.2319   -0.8220    2.8498
H    -0.8264   -0.9142    0.2670
H     0.6949    1.2423   -1.3904
H    -0.8026   -1.3533   -2.1848
H    -0.7328    0.0472   -4.3330
H     0.7705   -0.8711   -4.1516
H     0.7287    0.8507   -3.7541
 17
 9  E= -0.294522E+02
C     0.0984    0.7709    1.1533
C    -0.2677    0.4339    2.5622
O     0.2537   -0.8371    2.9181
C    -0.2463    0.0064    0.1250
C     0.1159    0.3238   -1.2586
C    -0.2254   -0.4295   -2.3015
C     0.1522   -0.0861   -3.6931
H     0.6737    1.6942    1.0260
H    -1.3635    0.3054    2.6894
H     0.0876    1.1716    3.2941
H     1.2302   -0.8251    2.8466
H    -0.8262   -0.9158    0.2658
H     0.6956    1.2446   -1.3879
H    -0.8036   -1.3560   -2.1866
H    -0.7326    0.0460   -4.3311
H     0.7695   -0.8707   -4.1499
H     0.7289    0.8508   -3.7558
 17
 10  E= -0.297760E+02
C     0.1021    0.7825    1.1543
C    -0.2682    0.4287    2.5589
O     0.2530   -0.8370    2.9210
C    -0.2491   -0.0016    0.1193
C     0.1172    0.3269   -1.2528
C    -0.2267   -0.4335   -2.3016
C     0.1527   -0.0836   -3.6937
H     0.6727    1.6908    1.0259
H    -1.3634    0.3051    2.6899
H     0.0887    1.1756    3.2984
H     1.2297   -0.8267    2.8440
H    -0.8258   -0.9150    0.2689
H     0.6958    1.2444   -1.3905
H    -0.8029   -1.3531   -2.1863
H    -0.7339    0.0457   -4.3322
H     0.7701   -0.8729   -4.1517
H     0.7290    0.8502   -3.7566
 17
 11  E= -0.297925E+02
C     0.1005    0.7760    1.1557
C    -0.2683    0.4335    2.5598
O     0.2533   -0.8374    2.9212
C    -0.2478    0.0031    0.1172
C     0.1182    0.3307   -1.2510
C    -0.2281   -0.4379   -2.2983
C     0.1534   -0.0827   -3.6961
H     0.6732    1.6941    1.0251
H    -1.3625    0.3004    2.6896
H     0.0884    1.1754    3.2938
H     1.2284   -0.8301    2.8388
H    -0.8254   -0.9163    0.2699
H     0.6948    1.2421   -1.3842
H    -0.8022   -1.3516   -2.1908
H    -0.7348    0.0446   -4.3324
H     0.7698   -0.8733   -4.1505
H     0.7291    0.8499   -3.7605
 17
 12  E= -0.298226E+02
C     0.1009    0.7786    1.1494
C    -0.2685    0.4318    2.5660
O     0.2528   -0.8360    2.9224
C    -0.2478    0.0017    0.1160
C     0.1174    0.3275   -1.2515
C    -0.2266   -0.4327   -2.2997
C     0.1533   -0.0840   -3.6930
H     0.6729    1.6938    1.0260
H    -1.3615    0.2972    2.6899
H     0.0884    1.1768    3.2943
H     1.2274   -0.8334    2.8339
H    -0.8246   -0.9156    0.2694
H     0.6951    1.2429   -1.3841
H    -0.8025   -1.3526   -2.1913
H    -0.7352    0.0436   -4.3318
H     0.7692   -0.8735   -4.1498
H     0.7291    0.8496   -3.7621
 17
 13  E= -0.298516E+02
C     0.1008    0.7801    1.1522
C    -0.2680    0.4303    2.5588
O     0.2525   -0.8353    2.9240
C    -0.2481    0.0011    0.1207
C     0.1169    0.3262   -1.2500
C    -0.2259   -0.4311   -2.2997
C     0.1531   -0.0842   -3.6974
H     0.6725    1.6931    1.0261
H    -1.3614    0.2962    2.6905
H     0.0886    1.1785    3.2964
H     1.2269   -0.8351    2.8319
H    -0.8240   -0.9152    0.2695
H     0.6957    1.2441   -1.3855
H    -0.8027   -1.3527   -2.1904
H    -0.7350    0.0429   -4.3305
H     0.7689   -0.8738   -4.1493
H     0.7292    0.8495   -3.7618
 17
 14  E= -0.298746E+02
C     0.1005    0.7798    1.1553
C    -0.2676    0.4318    2.5605
O     0.2524   -0.8358    2.9248
C    -0.2483    0.0011    0.1197
C     0.1176    0.3283   -1.2521
C    -0.2261   -0.4336   -2.3005
C     0.1532   -0.0832   -3.6955
H     0.6722    1.6937    1.0249
H    -1.3615    0.2950    2.6897
H     0.0881    1.1784    3.2927
H     1.2261   -0.8374    2.8274
H    -0.8237   -0.9162    0.2720
H     0.6957    1.2439   -1.3860
H    -0.8021   -1.3507   -2.1901
H    -0.7356    0.0421   -4.3324
H     0.7691   -0.8752   -4.1512
H     0.7294    0.8496   -3.7632
 17
 15  E= -0.298965E+02
C     0.1003    0.7795    1.1532
C    -0.2681    0.4318    2.5617
O     0.2524   -0.8352    2.9270
C    -0.2479    0.0017    0.1186
C     0.1179    0.3289   -1.2510
C    -0.2258   -0.4323   -2.3002
C     0.1534   -0.0841   -3.6960
H     0.6718    1.6947    1.0253
H    -1.3608    0.2921    2.6901
H     0.0878    1.1796    3.2937
H     1.2249   -0.8416    2.8197
H    -0.8229   -0.9165    0.2725
H     0.6955    1.2434   -1.3845
H    -0.8019   -1.3503   -2.1907
H    -0.7363    0.0408   -4.3318
H     0.7686   -0.8756   -4.1502
H     0.7295    0.8493   -3.7653
 17
 16  E= -0.299129E+02
C     0.1000    0.7799    1.1529
C    -0.2680    0.4316    2.5620
O     0.2523   -0.8340    2.9287
C    -0.2478    0.0017    0.1193
C     0.1178    0.3286   -1.2500
C    -0.2251   -0.4311   -2.3000
C     0.1535   -0.0843   -3.6968
H     0.6710    1.6952    1.0256
H    -1.3604    0.2896    2.6903
H     0.0870    1.1806    3.2933
H     1.2232   -0.8469    2.8108
H    -0.8217   -0.9165    0.2723
H     0.6959    1.2444   -1.3845
H    -0.8016   -1.3494   -2.1903
H    -0.7369    0.0392   -4.3316
H     0.7681   -0.8767   -4.1502
H     0.7295    0.8485   -3.7671
 17
 17  E= -0.299337E+02
C     0.0996    0.7806    1.1534
C    -0.2681    0.4315    2.5615
O     0.2524   -0.8334    2.9319
C    -0.2475    0.0021    0.1195
C     0.1182    0.3298   -1.2501
C    -0.2240   -0.4296   -2.2999
C     0.1534   -0.0855   -3.6974
H     0.6695    1.6958    1.0259
H    -1.3602    0.2872    2.6907
H     0.0857    1.1821    3.2939
H     1.2206   -0.8545    2.7979
H    -0.8199   -0.9170    0.2728
H     0.6963    1.2454   -1.3843
H    -0.8012   -1.3482   -2.1893
H    -0.7376    0.0369   -4.3312
H     0.7673   -0.8780   -4.1500
H     0.7296    0.8478   -3.7692
 17
 18  E= -0.299660E+02
C     0.0987    0.7810    1.1549
C    -0.2680    0.4309    2.5622
O     0.2524   -0.8313    2.9367
C    -0.2467    0.0031    0.1199
C     0.1193    0.3322   -1.2499
C    -0.2226   -0.4283   -2.2995
C     0.1532   -0.0867   -3.6982
H     0.6663    1.6981    1.0267
H    -1.3601    0.2836    2.6910
H     0.0828    1.1841    3.2939
H     1.2157   -0.8688    2.7711
H    -0.8162   -0.9178    0.2722
H     0.6973    1.2481   -1.3839
H    -0.8002   -1.3457   -2.1869
H    -0.7391    0.0323   -4.3308
H     0.7659   -0.8813   -4.1502
H     0.7294    0.8455   -3.7734
 17
 19  E= -0.299922E+02
C     0.0969    0.7830    1.1565
C    -0.2689    0.4327    2.5630
O     0.2537   -0.8310    2.9466
C    -0.2445    0.0044    0.1200
C     0.1216    0.3373   -1.2491
C    -0.2198   -0.4248   -2.2979
C     0.1528   -0.0904   -3.6988
H     0.6594    1.7023    1.0300
H    -1.3606    0.2787    2.6918
H     0.0767    1.1860    3.2934
H     1.2048   -0.8955    2.7163
H    -0.8089   -0.9190    0.2694
H     0.6992    1.2539   -1.3835
H    -0.7982   -1.3417   -2.1814
H    -0.7419    0.0236   -4.3303
H     0.7632   -0.8876   -4.1495
H     0.7290    0.8413   -3.7816
 17
 20  E= -0.300121E+02
C     0.0959    0.7832    1.1593
C    -0.2699    0.4295    2.5647
O     0.2549   -0.8280    2.9462
C    -0.2427    0.0068    0.1201
C     0.1236    0.3410   -1.2496
C    -0.2189   -0.4239   -2.2962
C     0.1523   -0.0935   -3.6980
H     0.6557    1.7053    1.0318
H    -1.3616    0.2795    2.6920
H     0.0738    1.1865    3.2966
H     1.1965   -0.9079    2.6881
H    -0.8053   -0.9199    0.2679
H     0.7002    1.2565   -1.3825
H    -0.7973   -1.3397   -2.1776
H    -0.7430    0.0196   -4.3291
H     0.7618   -0.8915   -4.1477
H     0.7289    0.8386   -3.7850
 17
 21  E= -0.300268E+02
C     0.0953    0.7838    1.1590
C    -0.2708    0.4298    2.5645
O     0.2564   -0.8288    2.9446
C    -0.2416    0.0072    0.1197
C     0.1246    0.3415   -1.2495
C    -0.2189   -0.4240   -2.2952
C     0.1520   -0.0935   -3.6971
H     0.6542    1.7069    1.0338
H    -1.3629    0.2820    2.6926
H     0.0730    1.1844    3.2987
H     1.1916   -0.9091    2.6792
H    -0.8041   -0.9193    0.2671
H     0.7007    1.2577   -1.3824
H    -0.7970   -1.3398   -2.1749
H    -0.7428    0.0187   -4.3274
H     0.7616   -0.8937   -4.1459
H     0.7284    0.8363   -3.7844
 17
 22  E= -0.300424E+02
C     0.0941    0.7858    1.1596
C    -0.2720    0.4297    2.5652
O     0.2573   -0.8291    2.9448
C    -0.2387    0.0084    0.1201
C     0.1268    0.3441   -1.2484
C    -0.2179   -0.4225   -2.2931
C     0.1513   -0.0967   -3.6965
H     0.6499    1.7109    1.0373
H    -1.3649    0.2834    2.6940
H     0.0708    1.1806    3.3007
H     1.1830   -0.9178    2.6464
H    -0.8001   -0.9189    0.2657
H     0.7017    1.2612   -1.3828
H    -0.7959   -1.3391   -2.1699
H    -0.7439    0.0153   -4.3262
H     0.7605   -0.8976   -4.1421
H     0.7278    0.8337   -3.7863
 17
 23  E= -0.300515E+02
C     0.0932    0.7886    1.1605
C    -0.2742    0.4295    2.5652
O     0.2579   -0.8300    2.9415
C    -0.2356    0.0101    0.1210
C     0.1289    0.3455   -1.2473
C    -0.2174   -0.4223   -2.2901
C     0.1505   -0.0989   -3.6943
H     0.6462    1.7150    1.0398
H    -1.3663    0.2850    2.6945
H     0.0704    1.1764    3.3046
H     1.1761   -0.9232    2.6191
H    -0.7965   -0.9183    0.2657
H     0.7025    1.2636   -1.3836
H    -0.7947   -1.3387   -2.1657
H    -0.7448    0.0128   -4.3256
H     0.7597   -0.9013   -4.1392
H     0.7272    0.8313   -3.7871
 17
 24  E= -0.300600E+02
C     0.0925    0.7926    1.1624
C    -0.2763    0.4300    2.5662
O     0.2577   -0.8318    2.9325
C    -0.2323    0.0114    0.1230
C     0.1312    0.3459   -1.2461
C    -0.2172   -0.4228   -2.2881
C     0.1496   -0.1017   -3.6929
H     0.6433    1.7199    1.0420
H    -1.3684    0.2870    2.6947
H     0.0722    1.1701    3.3090
H     1.1707   -0.9227    2.6000
H    -0.7933   -0.9168    0.2679
H     0.7029    1.2644   -1.3844
H    -0.7938   -1.3403   -2.1613
H    -0.7451    0.0117   -4.3230
H     0.7593   -0.9037   -4.1348
H     0.7265    0.8299   -3.7850
 17
 25  E= -0.300694E+02
C     0.0916    0.7958    1.1631
C    -0.2770    0.4302    2.5657
O     0.2565   -0.8331    2.9270
C    -0.2305    0.0130    0.1240
C     0.1324    0.3457   -1.2456
C    -0.2168   -0.4240   -2.2864
C     0.1492   -0.1020   -3.6911
H     0.6415    1.7241    1.0432
H    -1.3695    0.2864    2.6951
H     0.0743    1.1671    3.3120
H     1.1687   -0.9240    2.5879
H    -0.7905   -0.9159    0.2714
H     0.7031    1.2642   -1.3842
H    -0.7930   -1.3412   -2.1584
H    -0.7456    0.0101   -4.3208
H     0.7589   -0.9053   -4.1332
H     0.7258    0.8280   -3.7839
 17
 26  E= -0.300811E+02
C     0.0907    0.8018    1.1636
C    -0.2771    0.4308    2.5640
O     0.2535   -0.8366    2.9141
C    -0.2294    0.0155    0.1267
C     0.1328    0.3434   -1.2437
C    -0.2168   -0.4272   -2.2834
C     0.1494   -0.1021   -3.6877
H     0.6407    1.7297    1.0437
H    -1.3699    0.2849    2.6952
H     0.0800    1.1631    3.3135
H     1.1712   -0.9199    2.5904
H    -0.7876   -0.9141    0.2788
H     0.7031    1.2617   -1.3846
H    -0.7922   -1.3434   -2.1572
H    -0.7461    0.0100   -4.3194
H     0.7588   -0.9045   -4.1331
H     0.7252    0.8279   -3.7806
 17
 27  E= -0.300898E+02
C     0.0897    0.8062    1.1644
C    -0.2771    0.4310    2.5644
O     0.2517   -0.8391    2.9081
C    -0.2290    0.0178    0.1282
C     0.1334    0.3431   -1.2431
C    -0.2158   -0.4285   -2.2825
C     0.1491   -0.1032   -3.6870
H     0.6386    1.7351    1.0445
H    -1.3696    0.2841    2.6953
H     0.0826    1.1611    3.3142
H     1.1714   -0.9231    2.5846
H    -0.7838   -0.9132    0.2831
H     0.7038    1.2612   -1.3848
H    -0.7913   -1.3448   -2.1547
H    -0.7466    0.0079   -4.3158
H     0.7583   -0.9052   -4.1333
H     0.7249    0.8273   -3.7793
 17
 28  E= -0.300989E+02
C     0.0882    0.8111    1.1647
C    -0.2766    0.4308    2.5641
O     0.2499   -0.8424    2.9009
C    -0.2285    0.0207    0.1293
C     0.1338    0.3438   -1.2422
C    -0.2146   -0.4297   -2.2806
C     0.1491   -0.1053   -3.6855
H     0.6351    1.7417    1.0463
H    -1.3693    0.2856    2.6964
H     0.0853    1.1573    3.3154
H     1.1705   -0.9265    2.5789
H    -0.7790   -0.9119    0.2865
H     0.7050    1.2610   -1.3857
H    -0.7903   -1.3468   -2.1511
H    -0.7476    0.0058   -4.3130
H     0.7576   -0.9058   -4.1328
H     0.7242    0.8262   -3.7773
 17
 29  E= -0.301120E+02
C     0.0855    0.8193    1.1652
C    -0.2752    0.4300    2.5640
O     0.2470   -0.8484    2.8895
C    -0.2271    0.0269    0.1305
C     0.1344    0.3459   -1.2414
C    -0.2126   -0.4322   -2.2770
C     0.1487   -0.1093   -3.6830
H     0.6268    1.7530    1.0498
H    -1.3683    0.2901    2.6989
H     0.0893    1.1498    3.3191
H     1.1674   -0.9338    2.5686
H    -0.7700   -0.9106    0.2897
H     0.7076    1.2623   -1.3874
H    -0.7877   -1.3495   -2.1446
H    -0.7496    0.0015   -4.3074
H     0.7567   -0.9080   -4.1317
H     0.7230    0.8237   -3.7748
 17
 30  E= -0.301218E+02
C     0.0831    0.8245    1.1660
C    -0.2737    0.4294    2.5639
O     0.2444   -0.8529    2.8806
C    -0.2257    0.0310    0.1311
C     0.1351    0.3492   -1.2408
C    -0.2108   -0.4331   -2.2736
C     0.1484   -0.1128   -3.6807
H     0.6179    1.7633    1.0522
H    -1.3668    0.2949    2.7011
H     0.0928    1.1429    3.3236
H     1.1637   -0.9407    2.5592
H    -0.7616   -0.9089    0.2909
H     0.7098    1.2637   -1.3903
H    -0.7850   -1.3517   -2.1387
H    -0.7518   -0.0027   -4.3040
H     0.7560   -0.9110   -4.1308
H     0.7216    0.8207   -3.7739
 17
 31  E= -0.301344E+02
C     0.0808    0.8303    1.1671
C    -0.2717    0.4287    2.5645
O     0.2407   -0.8578    2.8724
C    -0.2232    0.0359    0.1316
C     0.1358    0.3522   -1.2412
C    -0.2094   -0.4343   -2.2710
C     0.1478   -0.1161   -3.6790
H     0.6065    1.7731    1.0543
H    -1.3650    0.2995    2.7040
H     0.0977    1.1352    3.3289
H     1.1596   -0.9466    2.5521
H    -0.7531   -0.9087    0.2915
H     0.7117    1.2659   -1.3928
H    -0.7814   -1.3532   -2.1331
H    -0.7543   -0.0071   -4.3006
H     0.7556   -0.9146   -4.1287
H     0.7199    0.8171   -3.7746
 17
 32  E= -0.301550E+02
C     0.0780    0.8361    1.1690
C    -0.2689    0.4282    2.5656
O     0.2349   -0.8638    2.8630
C    -0.2183    0.0407    0.1320
C     0.1376    0.3572   -1.2415
C    -0.2078   -0.4340   -2.2677
C     0.1463   -0.1208   -3.6775
H     0.5881    1.7872    1.0564
H    -1.3621    0.3053    2.7087
H     0.1063    1.1251    3.3361
H     1.1531   -0.9549    2.5426
H    -0.7408   -0.9085    0.2913
H     0.7136    1.2701   -1.3963
H    -0.7753   -1.3540   -2.1262
H    -0.7579   -0.0141   -4.2971
H     0.7551   -0.9212   -4.1253
H     0.7176    0.8120   -3.7794
 17
 33  E= -0.301798E+02
C     0.0737    0.8455    1.1721
C    -0.2653    0.4275    2.5676
O     0.2252   -0.8730    2.8487
C    -0.2099    0.0468    0.1338
C     0.1410    0.3639   -1.2415
C    -0.2053   -0.4323   -2.2636
C     0.1438   -0.1273   -3.6765
H     0.5598    1.8086    1.0593
H    -1.3583    0.3129    2.7166
H     0.1218    1.1114    3.3441
H     1.1436   -0.9669    2.5288
H    -0.7222   -0.9092    0.2937
H     0.7151    1.2768   -1.4001
H    -0.7660   -1.3549   -2.1152
H    -0.7633   -0.0254   -4.2939
H     0.7536   -0.9311   -4.1190
H     0.7138    0.8040   -3.7881
 17
 34  E= -0.302039E+02
C     0.0705    0.8509    1.1738
C    -0.2625    0.4270    2.5689
O     0.2168   -0.8792    2.8399
C    -0.2028    0.0491    0.1350
C     0.1441    0.3687   -1.2410
C    -0.2033   -0.4292   -2.2615
C     0.1412   -0.1318   -3.6768
H     0.5369    1.8234    1.0616
H    -1.3555    0.3185    2.7243
H     0.1367    1.1034    3.3458
H     1.1373   -0.9754    2.5253
H    -0.7078   -0.9105    0.2959
H     0.7146    1.2833   -1.4011
H    -0.7587   -1.3538   -2.1083
H    -0.7669   -0.0349   -4.2926
H     0.7519   -0.9386   -4.1144
H     0.7110    0.7989   -3.7976
 17
 35  E= -0.302310E+02
C     0.0648    0.8602    1.1761
C    -0.2593    0.4266    2.5709
O     0.2046   -0.8892    2.8244
C    -0.1923    0.0525    0.1377
C     0.1492    0.3751   -1.2394
C    -0.1995   -0.4249   -2.2579
C     0.1376   -0.1383   -3.6773
H     0.5044    1.8455    1.0652
H    -1.3523    0.3285    2.7364
H     0.1607    1.0930    3.3462
H     1.1282   -0.9892    2.5180
H    -0.6851   -0.9134    0.3013
H     0.7131    1.2934   -1.4011
H    -0.7490   -1.3524   -2.0969
H    -0.7722   -0.0500   -4.2913
H     0.7478   -0.9489   -4.1080
H     0.7065    0.7912   -3.8094
 17
 36  E= -0.302508E+02
C     0.0620    0.8606    1.1759
C    -0.2581    0.4263    2.5713
O     0.1998   -0.8911    2.8221
C    -0.1884    0.0509    0.1380
C     0.1513    0.3773   -1.2385
C    -0.1974   -0.4218   -2.2577
C     0.1362   -0.1395   -3.6785
H     0.4932    1.8488    1.0660
H    -1.3514    0.3344    2.7434
H     0.1725    1.0926    3.3401
H     1.1260   -0.9936    2.5238
H    -0.6762   -0.9169    0.3021
H     0.7100    1.2987   -1.3986
H    -0.7468   -1.3499   -2.0946
H    -0.7732   -0.0562   -4.2922
H     0.7449   -0.9518   -4.1074
H     0.7047    0.7900   -3.8147
 17
 37  E= -0.302719E+02
C     0.0547    0.8680    1.1765
C    -0.2559    0.4267    2.5727
O     0.1900   -0.8994    2.8071
C    -0.1808    0.0526    0.1396
C     0.1556    0.3821   -1.2369
C    -0.1925   -0.4202   -2.2538
C     0.1341   -0.1443   -3.6772
H     0.4705    1.8643    1.0685
H    -1.3493    0.3485    2.7560
H     0.1956    1.0849    3.3386
H     1.1189   -1.0046    2.5185
H    -0.6537   -0.9221    0.3057
H     0.7069    1.3085   -1.3971
H    -0.7417   -1.3480   -2.0850
H    -0.7767   -0.0686   -4.2885
H     0.7391   -0.9582   -4.1051
H     0.7004    0.7863   -3.8194
 17
 38  E= -0.302932E+02
C     0.0521    0.8646    1.1752
C    -0.2555    0.4274    2.5730
O     0.1887   -0.8978    2.8099
C    -0.1810    0.0495    0.1386
C     0.1557    0.3826   -1.2370
C    -0.1907   -0.4195   -2.2544
C     0.1350   -0.1429   -3.6777
H     0.4712    1.8585    1.0662
H    -1.3482    0.3554    2.7611
H     0.2017    1.0870    3.3333
H     1.1187   -1.0047    2.5256
H    -0.6483   -0.9281    0.3024
H     0.7031    1.3113   -1.3952
H    -0.7440   -1.3460   -2.0861
H    -0.7767   -0.0693   -4.2889
H     0.7365   -0.9570   -4.1084
H     0.6993    0.7884   -3.8185
 17
 39  E= -0.303143E+02
C     0.0476    0.8658    1.1751
C    -0.2537    0.4288    2.5740
O     0.1842   -0.8998    2.8054
C    -0.1789    0.0490    0.1382
C     0.1564    0.3849   -1.2371
C    -0.1879   -0.4204   -2.2526
C     0.1354   -0.1439   -3.6763
H     0.4643    1.8613    1.0645
H    -1.3455    0.3657    2.7690
H     0.2125    1.0823    3.3343
H     1.1140   -1.0081    2.5222
H    -0.6344   -0.9348    0.3000
H     0.7001    1.3154   -1.3958
H    -0.7435   -1.3454   -2.0837
H    -0.7786   -0.0718   -4.2848
H     0.7343   -0.9585   -4.1104
H     0.6970    0.7889   -3.8181
 17
 40  E= -0.303334E+02
C     0.0418    0.8695    1.1760
C    -0.2506    0.4307    2.5760
O     0.1759   -0.9035    2.7972
C    -0.1738    0.0494    0.1389
C     0.1574    0.3887   -1.2370
C    -0.1844   -0.4210   -2.2501
C     0.1354   -0.1465   -3.6750
H     0.4484    1.8695    1.0627
H    -1.3407    0.3787    2.7806
H     0.2289    1.0732    3.3379
H     1.1045   -1.0157    2.5104
H    -0.6119   -0.9433    0.2993
H     0.6966    1.3213   -1.3977
H    -0.7395   -1.3453   -2.0784
H    -0.7827   -0.0761   -4.2795
H     0.7325   -0.9622   -4.1100
H     0.6935    0.7870   -3.8210
 17
 41  E= -0.303505E+02
C     0.0388    0.8708    1.1764
C    -0.2482    0.4324    2.5773
O     0.1697   -0.9048    2.7939
C    -0.1700    0.0484    0.1396
C     0.1571    0.3902   -1.2371
C    -0.1827   -0.4212   -2.2494
C     0.1351   -0.1473   -3.6747
H     0.4373    1.8736    1.0605
H    -1.3365    0.3872    2.7887
H     0.2399    1.0681    3.3393
H     1.0967   -1.0202    2.5024
H    -0.5953   -0.9497    0.3001
H     0.6932    1.3243   -1.3988
H    -0.7358   -1.3458   -2.0769
H    -0.7855   -0.0765   -4.2758
H     0.7331   -0.9634   -4.1098
H     0.6917    0.7865   -3.8239
 17
 42  E= -0.303778E+02
C     0.0319    0.8775    1.1780
C    -0.2429    0.4354    2.5801
O     0.1546   -0.9104    2.7826
C    -0.1585    0.0481    0.1425
C     0.1581    0.3946   -1.2360
C    -0.1786   -0.4204   -2.2464
C     0.1330   -0.1512   -3.6742
H     0.4053    1.8899    1.0587
H    -1.3285    0.4061    2.8069
H     0.2665    1.0565    3.3408
H     1.0764   -1.0377    2.4759
H    -0.5556   -0.9621    0.3057
H     0.6867    1.3323   -1.4002
H    -0.7249   -1.3483   -2.0697
H    -0.7922   -0.0821   -4.2695
H     0.7335   -0.9681   -4.1067
H     0.6874    0.7823   -3.8318
 17
 43  E= -0.304105E+02
C     0.0293    0.8774    1.1772
C    -0.2381    0.4390    2.5816
O     0.1432   -0.9103    2.7829
C    -0.1503    0.0427    0.1446
C     0.1554    0.3932   -1.2357
C    -0.1779   -0.4207   -2.2479
C     0.1317   -0.1493   -3.6755
H     0.3860    1.8943    1.0536
H    -1.3207    0.4209    2.8193
H     0.2855    1.0550    3.3357
H     1.0608   -1.0467    2.4671
H    -0.5253   -0.9732    0.3124
H     0.6780    1.3348   -1.3996
H    -0.7163   -1.3523   -2.0717
H    -0.7953   -0.0782   -4.2678
H     0.7374   -0.9638   -4.1065
H     0.6860    0.7834   -3.8350
 17
 44  E= -0.304435E+02
C     0.0191    0.8870    1.1774
C    -0.2282    0.4444    2.5846
O     0.1165   -0.9184    2.7680
C    -0.1289    0.0387    0.1500
C     0.1555    0.3963   -1.2334
C    -0.1730   -0.4206   -2.2446
C     0.1267   -0.1515   -3.6752
H     0.3310    1.9198    1.0495
H    -1.3072    0.4573    2.8477
H     0.3330    1.0435    3.3279
H     1.0259   -1.0782    2.4373
H    -0.4562   -0.9944    0.3261
H     0.6630    1.3458   -1.3996
H    -0.6962   -1.3611   -2.0639
H    -0.8034   -0.0847   -4.2619
H     0.7387   -0.9636   -4.1047
H     0.6803    0.7809   -3.8415
 17
 45  E= -0.304909E+02
C     0.0216    0.8815    1.1747
C    -0.2269    0.4468    2.5836
O     0.1151   -0.9132    2.7794
C    -0.1262    0.0318    0.1501
C     0.1518    0.3902   -1.2335
C    -0.1761   -0.4229   -2.2479
C     0.1261   -0.1447   -3.6767
H     0.3312    1.9125    1.0447
H    -1.3047    0.4638    2.8459
H     0.3341    1.0538    3.3178
H     1.0204   -1.0826    2.4456
H    -0.4495   -0.9986    0.3285
H     0.6561    1.3418   -1.3981
H    -0.6938   -1.3677   -2.0722
H    -0.8003   -0.0758   -4.2679
H     0.7419   -0.9514   -4.1094
H     0.6824    0.7882   -3.8336
 17
 46  E= -0.305404E+02
C     0.0191    0.8775    1.1696
C    -0.2188    0.4525    2.5835
O     0.0996   -0.9113    2.7886
C    -0.1134    0.0202    0.1503
C     0.1472    0.3833   -1.2350
C    -0.1778   -0.4280   -2.2515
C     0.1240   -0.1347   -3.6775
H     0.3056    1.9150    1.0340
H    -1.2946    0.4938    2.8571
H     0.3617    1.0607    3.3026
H     1.0023   -1.0988    2.4652
H    -0.4108   -1.0157    0.3340
H     0.6388    1.3426   -1.3992
H    -0.6827   -1.3802   -2.0804
H    -0.7987   -0.0673   -4.2736
H     0.7433   -0.9326   -4.1170
H     0.6808    0.8003   -3.8204
 17
 47  E= -0.305707E+02
C     0.0152    0.8761    1.1665
C    -0.2122    0.4593    2.5839
O     0.0855   -0.9082    2.7961
C    -0.0986    0.0110    0.1509
C     0.1450    0.3785   -1.2359
C    -0.1782   -0.4343   -2.2520
C     0.1217   -0.1273   -3.6761
H     0.2765    1.9210    1.0247
H    -1.2848    0.5237    2.8668
H     0.3857    1.0614    3.2945
H     0.9765   -1.1263    2.4525
H    -0.3693   -1.0332    0.3358
H     0.6227    1.3447   -1.4037
H    -0.6713   -1.3929   -2.0846
H    -0.7982   -0.0607   -4.2756
H     0.7429   -0.9182   -4.1243
H     0.6773    0.8118   -3.8070
 17
 48  E= -0.305923E+02
C     0.0156    0.8743    1.1637
C    -0.2096    0.4619    2.5827
O     0.0819   -0.9073    2.7992
C    -0.0963    0.0073    0.1496
C     0.1437    0.3731   -1.2377
C    -0.1795   -0.4404   -2.2533
C     0.1220   -0.1208   -3.6742
H     0.2744    1.9188    1.0170
H    -1.2821    0.5324    2.8645
H     0.3916    1.0600    3.2951
H     0.9783   -1.1201    2.4789
H    -0.3676   -1.0369    0.3343
H     0.6163    1.3397   -1.4092
H    -0.6708   -1.4006   -2.0902
H    -0.7950   -0.0516   -4.2763
H     0.7421   -0.9088   -4.1311
H     0.6744    0.8220   -3.7936
 17
 49  E= -0.306070E+02
C     0.0168    0.8733    1.1643
C    -0.2104    0.4616    2.5830
O     0.0843   -0.9057    2.8011
C    -0.0983    0.0080    0.1490
C     0.1448    0.3730   -1.2382
C    -0.1787   -0.4407   -2.2536
C     0.1230   -0.1214   -3.6742
H     0.2775    1.9180    1.0168
H    -1.2835    0.5273    2.8623
H     0.3860    1.0589    3.2992
H     0.9804   -1.1185    2.4747
H    -0.3760   -1.0348    0.3322
H     0.6179    1.3397   -1.4103
H    -0.6726   -1.3985   -2.0905
H    -0.7953   -0.0500   -4.2754
H     0.7407   -0.9103   -4.1302
H     0.6725    0.8222   -3.7952
 17
 50  E= -0.306189E+02
C     0.0164    0.8757    1.1650
C    -0.2090    0.4629    2.5838
O     0.0802   -0.9063    2.7976
C    -0.0956    0.0078    0.1506
C     0.1463    0.3724   -1.2374
C    -0.1758   -0.4418   -2.2529
C     0.1225   -0.1222   -3.6742
H     0.2682    1.9226    1.0154
H    -1.2819    0.5297    2.8660
H     0.3912    1.0552    3.3009
H     0.9755   -1.1217    2.4646
H    -0.3707   -1.0370    0.3355
H     0.6157    1.3408   -1.4108
H    -0.6699   -1.3997   -2.0895
H    -0.7977   -0.0477   -4.2715
H     0.7397   -0.9118   -4.1312
H     0.6679    0.8230   -3.7985
 17
 51  E= -0.306260E+02
C     0.0174    0.8753    1.1645
C    -0.2088    0.4639    2.5835
O     0.0797   -0.9053    2.7982
C    -0.0956    0.0064    0.1512
C     0.1468    0.3699   -1.2368
C    -0.1743   -0.4437   -2.2532
C     0.1224   -0.1208   -3.6743
H     0.2676    1.9217    1.0139
H    -1.2816    0.5303    2.8651
H     0.3909    1.0566    3.3001
H     0.9754   -1.1211    2.4661
H    -0.3735   -1.0368    0.3371
H     0.6142    1.3392   -1.4101
H    -0.6696   -1.4013   -2.0914
H    -0.7982   -0.0435   -4.2703
H     0.7388   -0.9093   -4.1343
H     0.6652    0.8263   -3.7971
 17
 52  E= -0.306346E+02
C     0.0167    0.8744    1.1625
C    -0.2053    0.4670    2.5834
O     0.0722   -0.9042    2.7998
C    -0.0910    0.0011    0.1524
C     0.1472    0.3650   -1.2361
C    -0.1707   -0.4474   -2.2543
C     0.1214   -0.1168   -3.6749
H     0.2539    1.9238    1.0085
H    -1.2766    0.5438    2.8702
H     0.4024    1.0592    3.2940
H     0.9670   -1.1272    2.4709
H    -0.3620   -1.0428    0.3418
H     0.6067    1.3385   -1.4082
H    -0.6636   -1.4071   -2.0950
H    -0.8010   -0.0358   -4.2679
H     0.7374   -0.9009   -4.1415
H     0.6592    0.8335   -3.7937
 17
 53  E= -0.306397E+02
C     0.0170    0.8733    1.1617
C    -0.2055    0.4675    2.5830
O     0.0727   -0.9028    2.8018
C    -0.0919   -0.0004    0.1525
C     0.1476    0.3629   -1.2357
C    -0.1691   -0.4486   -2.2548
C     0.1211   -0.1152   -3.6751
H     0.2557    1.9212    1.0076
H    -1.2761    0.5456    2.8692
H     0.4011    1.0620    3.2919
H     0.9663   -1.1270    2.4718
H    -0.3652   -1.0431    0.3426
H     0.6065    1.3366   -1.4064
H    -0.6625   -1.4085   -2.0969
H    -0.8025   -0.0329   -4.2660
H     0.7370   -0.8974   -4.1452
H     0.6580    0.8357   -3.7921
 17
 54  E= -0.306486E+02
C     0.0152    0.8716    1.1603
C    -0.2039    0.4696    2.5827
O     0.0692   -0.9012    2.8043
C    -0.0902   -0.0043    0.1528
C     0.1488    0.3598   -1.2351
C    -0.1654   -0.4508   -2.2555
C     0.1196   -0.1120   -3.6755
H     0.2499    1.9200    1.0042
H    -1.2726    0.5556    2.8724
H     0.4073    1.0648    3.2875
H     0.9593   -1.1311    2.4716
H    -0.3602   -1.0472    0.3439
H     0.6043    1.3355   -1.4039
H    -0.6563   -1.4121   -2.0995
H    -0.8073   -0.0294   -4.2616
H     0.7358   -0.8903   -4.1516
H     0.6550    0.8398   -3.7907
 17
 55  E= -0.306615E+02
C     0.0115    0.8695    1.1586
C    -0.2012    0.4727    2.5829
O     0.0628   -0.8992    2.8079
C    -0.0870   -0.0096    0.1532
C     0.1516    0.3564   -1.2344
C    -0.1592   -0.4536   -2.2561
C     0.1167   -0.1077   -3.6761
H     0.2391    1.9195    0.9987
H    -1.2669    0.5708    2.8795
H     0.4185    1.0664    3.2823
H     0.9466   -1.1385    2.4664
H    -0.3512   -1.0539    0.3448
H     0.6026    1.3343   -1.4013
H    -0.6441   -1.4182   -2.1016
H    -0.8166   -0.0266   -4.2538
H     0.7334   -0.8806   -4.1604
H     0.6505    0.8450   -3.7906
 17
 56  E= -0.306719E+02
C     0.0074    0.8677    1.1570
C    -0.1987    0.4765    2.5836
O     0.0553   -0.8970    2.8114
C    -0.0829   -0.0149    0.1536
C     0.1555    0.3530   -1.2338
C    -0.1524   -0.4568   -2.2565
C     0.1130   -0.1031   -3.6767
H     0.2268    1.9195    0.9925
H    -1.2611    0.5857    2.8881
H     0.4319    1.0660    3.2778
H     0.9321   -1.1462    2.4582
H    -0.3420   -1.0606    0.3450
H     0.6023    1.3333   -1.4000
H    -0.6288   -1.4254   -2.1032
H    -0.8271   -0.0246   -4.2450
H     0.7299   -0.8704   -4.1695
H     0.6449    0.8509   -3.7911
 17
 57  E= -0.306796E+02
C     0.0059    0.8673    1.1568
C    -0.1983    0.4777    2.5840
O     0.0526   -0.8963    2.8124
C    -0.0822   -0.0157    0.1536
C     0.1581    0.3521   -1.2338
C    -0.1491   -0.4581   -2.2564
C     0.1109   -0.1016   -3.6769
H     0.2236    1.9196    0.9903
H    -1.2597    0.5884    2.8917
H     0.4368    1.0640    3.2767
H     0.9278   -1.1471    2.4560
H    -0.3426   -1.0616    0.3441
H     0.6054    1.3320   -1.4007
H    -0.6199   -1.4293   -2.1030
H    -0.8322   -0.0250   -4.2408
H     0.7271   -0.8668   -4.1732
H     0.6418    0.8532   -3.7919
 17
 58  E= -0.306879E+02
C     0.0049    0.8691    1.1573
C    -0.1993    0.4782    2.5846
O     0.0504   -0.8965    2.8101
C    -0.0825   -0.0137    0.1536
C     0.1615    0.3523   -1.2338
C    -0.1457   -0.4596   -2.2554
C     0.1084   -0.1017   -3.6764
H     0.2235    1.9207    0.9906
H    -1.2604    0.5855    2.8951
H     0.4411    1.0593    3.2765
H     0.9263   -1.1463    2.4524
H    -0.3471   -1.0591    0.3433
H     0.6125    1.3306   -1.4028
H    -0.6088   -1.4338   -2.1003
H    -0.8363   -0.0270   -4.2372
H     0.7222   -0.8659   -4.1760
H     0.6369    0.8549   -3.7928
 17
 59  E= -0.306911E+02
C     0.0054    0.8694    1.1574
C    -0.1991    0.4779    2.5846
O     0.0498   -0.8970    2.8097
C    -0.0824   -0.0132    0.1536
C     0.1608    0.3527   -1.2339
C    -0.1460   -0.4597   -2.2553
C     0.1086   -0.1020   -3.6765
H     0.2231    1.9215    0.9912
H    -1.2604    0.5855    2.8950
H     0.4417    1.0595    3.2757
H     0.9269   -1.1469    2.4550
H    -0.3455   -1.0589    0.3438
H     0.6122    1.3307   -1.4030
H    -0.6084   -1.4346   -2.0998
H    -0.8351   -0.0263   -4.2385
H     0.7220   -0.8667   -4.1762
H     0.6359    0.8550   -3.7922
 17
 60  E= -0.306946E+02
C     0.0060    0.8697    1.1576
C    -0.1995    0.4772    2.5845
O     0.0498   -0.8977    2.8088
C    -0.0830   -0.0122    0.1534
C     0.1598    0.3534   -1.2342
C    -0.1461   -0.4596   -2.2552
C     0.1087   -0.1029   -3.6766
H     0.2259    1.9212    0.9935
H    -1.2610    0.5849    2.8941
H     0.4413    1.0602    3.2746
H     0.9290   -1.1464    2.4591
H    -0.3449   -1.0575    0.3439
H     0.6125    1.3311   -1.4027
H    -0.6073   -1.4350   -2.0989
H    -0.8329   -0.0249   -4.2407
H     0.7211   -0.8685   -4.1758
H     0.6337    0.8551   -3.7917
