* LIGAND DATABASE FILE (OPLS2005)
*
001      92    95    167    262     487
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02047    96.99450   -56.27921
    3     1 S   H    _H1_     3     1.02093    82.49469    51.78605
    4     1 S   H    _H2_     4     1.02157    34.82296  -169.15952
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CM   _C13    36     1.74511    99.16156   161.86573
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C11    37     1.35033   121.12155   -90.02123
   38    37 S   CM   _C12    38     1.45570   121.25926   179.63577
   39    38 S   Br   BR37    39     1.87579   119.52467  -167.14970
   40    37 S   OS   _O35    88     1.38147   123.27147     0.03956
   41    38 S   CM   _C10    40     1.34596   120.36059    14.64525
   42    41 S   HC   _H40    41     1.08756   119.74739   176.58344
   43    40 S   CT   _C22    89     1.40602   112.59949   -90.36379
   44    43 S   HC   _H47    90     1.09223   109.51921  -179.98022
   45    43 S   HC   _H48    91     1.09228   109.58286    59.17503
   46    43 S   HC   _H49    92     1.09247   108.96234   -60.44562
   47    41 S   CT   _C21    42     1.51010   122.48592    -1.31537
   48    47 S   CT   _C17    43     1.52784   111.98618  -152.48019
   49    48 S   HC   _H41    44     1.09050   115.82824   101.57879
   50    48 S   HC   _H42    45     1.09604   113.51765   -25.54897
   51    33 S   CT   _C20    84     1.51737   118.04191    90.01844
   52    51 S   HC   _H46    85     1.10503   108.71167    35.16114
   53    48 S   CD   _C14    46     1.47578    97.78845  -138.76012
   54    51 S   OH   _O30    86     1.42910   107.47970   -80.98205
   55    54 S   HO   _H57    87     0.96895   106.33984   -60.03744
   56    53 S   NI   _N23    47     1.28735   116.91701    16.70567
   57    53 S   C    _C16    49     1.47655   121.05000  -165.39263
   58    57 S   O    _O27    50     1.22544   120.50314   -60.13848
   59    47 S   OS   _O29    48     1.45225   106.48367    94.69210
   60    57 S   N    _N25    51     1.37894   112.54973   119.95131
   61    60 S   H    _H56    52     1.01609   118.66050    -0.08847
   62    60 S   CT   _C23    53     1.44581   122.68185   179.81337
   63    62 S   HC   _H50    54     1.09514   108.21063   -30.83695
   64    62 S   HC   _H51    55     1.09468   109.20261  -148.06704
   65    62 S   CT   _C25    56     1.52899   111.23233    90.07009
   66    65 S   HC   _H54    57     1.09666   109.27352  -177.73999
   67    65 S   CT   _C24    58     1.52532   113.29541    60.11149
   68    67 S   HC   _H52    59     1.09409   111.11650  -179.97202
   69    67 S   HC   _H53    60     1.09501   111.53286    57.32334
   70    65 S   OH   _O33    82     1.42865   109.64425   -61.30809
   71    70 S   HO   _H58    83     0.96873   106.36613   -59.97303
   72    67 S   OS   _O34    61     1.42451   108.85301   -61.17145
   73    72 S   CA   _C7_    62     1.36901   116.70591   179.28127
   74    73 S   CA   _C8_    63     1.39517   120.02113    90.09072
   75    74 S   Br   BR35    64     1.89684   121.28537    -0.12511
   76    74 S   CA   _C4_    65     1.39426   120.01240   179.97202
   77    76 S   HA   _H38    66     1.08780   120.52482  -179.95577
   78    76 S   CA   _C6_    67     1.39456   120.01187    -0.08847
   79    78 S   CA   _C5_    68     1.39480   120.01382     0.08847
   80    79 S   HA   _H39    69     1.08777   119.42493   179.96574
   81    78 S   CT   _C19    72     1.50754   120.00407  -179.97202
   82    81 S   HC   _H45    73     1.10977   108.45858    30.04661
   83    73 S   CA   _C9_    70     1.39544   120.02619   -89.97489
   84    83 S   Br   BR36    71     1.89682   121.32628     0.02798
   85    81 S   CT   _C18    74     1.51674   113.58464   -93.87000
   86    85 S   HC   _H43    75     1.09482   113.80682   -24.67459
   87    85 S   HC   _H44    76     1.09322   112.84514   100.45331
   88    85 S   N    _N24    77     1.42630   102.42808  -140.81661
   89    88 S   H    _H55    78     1.01528   124.43315  -165.14366
   90    88 S   CO4  _C15    79     1.37696   111.21774    14.80075
   91    90 S   O    _O26    80     1.22206   126.90783   174.76093
   92    81 S   OS   _O28    81     1.44407   111.36132   148.08313
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   8   5   4   3
  13   2   1   1  13   9   4   6  11   4   3   2   1   1  11  11
   6   5   6   3   7   2   1   4   8   3   1   8   4  10   5   4
   8   6   8   4   3   2   1   7   9   8   4   9   3  12   7   3
  10   6   1   1   7   5   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    51    52    54    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    47    48    59    51    52    54    55    40    43  
   35    36  
   36  
    0  
   38    39    41    42    47    51    52    54    40    43    44    45    46  
   39    41    42    47    48    59    51    40    43  
   41    42    47    40  
   43    44    45    46    41    51  
   42    47    48    49    50    53    56    59    51    52    54  
   47    48    59    51  
   44    45    46  
   45    46  
   46  
    0  
   48    49    50    53    56    59    57    51    52    54    55  
   49    50    53    56    59    57    58    60    51    52    54  
   50    53    56    59    57    51  
   53    56    59    57    51  
   52    54    55    53    56    59  
   54    55    59  
   56    59    57    58    60    61    62  
   55    59  
    0  
   59    57    58    60  
   58    60    61    62    63    64    65    59  
   60    61    62  
    0  
   61    62    63    64    65    66    67    70  
   62    63    64    65  
   63    64    65    66    67    68    69    72    70    71  
   64    65    66    67    70  
   65    66    67    70  
   66    67    68    69    72    73    70    71  
   67    68    69    72    70    71  
   68    69    72    73    74    83    70    71  
   69    72    73    70  
   72    73    70  
   71    72  
    0  
   73    74    75    76    79    83    84  
   74    75    76    77    78    79    80    83    84  
   75    76    77    78    79    83    84    81  
   76    77    78    83  
   77    78    79    80    83    81    82    85    92  
   78    79    81  
   79    80    83    84    81    82    85    86    87    88    90    92  
   80    83    84    81    82    85    92  
   83    84    81  
   82    85    86    87    88    89    90    91    92    83  
   85    86    87    88    90    92  
   84  
    0  
   86    87    88    89    90    91    92  
   87    88    89    90    92  
   88    89    90    92  
   89    90    91    92  
   90    91    92  
   91    92  
   92  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760   0.179500   2.0020   1.7750   0.023028004  -0.852763146
   39   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   40   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660  -0.083900   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.353600   2.0020   1.7750   0.023028004  -0.852763146
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   57   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   59   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   60   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   61   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   62   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.4700   0.4700  -0.200000   2.8000   2.5000   0.001000000  -0.686339560
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   83   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   84   3.4700   0.4700  -0.200000   2.8000   2.5000   0.001000000  -0.686339560
   85   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   3.2500   0.1700  -0.438900   1.8100   1.6000   0.054801302  -1.445846770
   89   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   90   3.7500   0.1050   0.515900   1.9250   1.7000   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.497000   1.5250   1.4250   0.001000000  -1.480495490
   92   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   240.000  1.763
   33    37   549.000  1.340
   33    51   317.000  1.510
   37    38   380.000  1.444
   37    40   440.000  1.360
   38    39   165.000  1.979
   38    41   549.000  1.340
   41    42   340.000  1.080
   41    47   317.000  1.510
   47    48   268.000  1.529
   47    59   320.000  1.410
   47    51   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   270.000  1.508
   53    56   500.000  1.261
   53    57   270.000  1.486
   56    59   320.000  1.394
   57    58   570.000  1.229
   57    60   490.000  1.335
   60    61   434.000  1.010
   60    62   337.000  1.449
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    70   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   320.000  1.410
   72    73   450.000  1.364
   73    74   469.000  1.400
   73    83   469.000  1.400
   74    75   300.000  1.903
   74    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   469.000  1.400
   78    81   317.000  1.510
   79    80   367.000  1.080
   79    83   469.000  1.400
   83    84   300.000  1.903
   81    82   340.000  1.090
   81    85   268.000  1.529
   81    92   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   337.000  1.449
   88    89   434.000  1.010
   88    90   435.000  1.380
   90    91   570.000  1.229
   90    92   214.000  1.327
   70    71   553.000  0.945
   51    52   340.000  1.090
   51    54   320.000  1.410
   54    55   553.000  0.945
   40    43   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    65.00000  122.11800
   29    33    51    65.00000  117.37300
   33    37    38    70.00000  123.01800
   33    37    40    80.00000  120.01400
   33    51    47    70.00000  112.02700
   33    51    52    35.00000  109.50000
   33    51    54    90.00000  110.39200
   37    38    39    65.00000  115.01300
   37    38    41    70.00000  123.01800
   37    40    43    90.00000  111.18400
   38    41    42    35.00000  120.00000
   38    41    47    70.00000  124.00000
   41    38    39    65.00000  115.01300
   41    47    48    70.00000  112.02700
   41    47    59    85.00000  110.90400
   41    47    51    70.00000  112.02700
   47    41    42    35.00000  117.00000
   47    48    49    37.50000  110.70000
   47    48    50    37.50000  110.70000
   47    48    53    70.00000  111.76100
   47    59    56   110.00000  106.71400
   47    51    52    37.50000  110.70000
   47    51    54    50.00000  109.50000
   48    53    56    65.00000  122.10100
   48    53    57    60.00000  116.68000
   50    48    49    33.00000  107.80000
   53    48    49    45.00000  109.49600
   53    48    50    45.00000  109.49600
   53    56    59   100.00000  109.52600
   53    57    58    80.00000  120.45000
   53    57    60    75.00000  109.57000
   59    47    48    50.00000  109.50000
   57    53    56    65.00000  123.79500
   57    60    61    35.00000  119.80000
   57    60    62    50.00000  121.90000
   60    57    58    80.00000  122.90000
   60    62    63    35.00000  109.50000
   60    62    64    35.00000  109.50000
   60    62    65    70.00000  110.72300
   62    60    61    38.00000  118.40000
   62    65    66    37.50000  110.70000
   62    65    67    58.35000  112.70000
   62    65    70    50.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    67    68    37.50000  110.70000
   65    67    69    37.50000  110.70000
   65    67    72    50.00000  109.50000
   65    70    71    55.00000  108.50000
   67    65    66    37.50000  110.70000
   67    72    73    75.00000  111.00000
   69    67    68    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    69    35.00000  109.50000
   72    73    74    70.00000  120.00000
   72    73    83    70.00000  120.00000
   73    74    75    75.00000  120.00000
   73    74    76    63.00000  120.00000
   73    83    79    63.00000  120.00000
   73    83    84    75.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    78    63.00000  120.00000
   76    74    75    75.00000  120.00000
   76    78    79    63.00000  120.00000
   76    78    81    70.00000  120.00000
   78    76    77    35.00000  120.00000
   78    79    80    35.00000  120.00000
   78    79    83    63.00000  120.00000
   78    81    82    35.00000  109.50000
   78    81    85    70.00000  112.17500
   78    81    92    85.00000  111.85700
   79    83    84    75.00000  120.00000
   83    73    74    63.00000  120.00000
   83    79    80    35.00000  120.00000
   81    78    79    70.00000  120.00000
   81    85    86    37.50000  110.70000
   81    85    87    37.50000  110.70000
   81    85    88    70.00000  110.72300
   81    92    90    83.00000  116.90000
   85    81    82    37.50000  110.70000
   85    88    89    38.00000  118.40000
   85    88    90    70.00000  120.44000
   87    85    86    33.00000  107.80000
   88    85    86    35.00000  109.50000
   88    85    87    35.00000  109.50000
   88    90    91    85.00000  125.96000
   88    90    92   110.00000  108.75700
   90    88    89    50.00000  116.34900
   92    81    82    35.00000  109.50000
   92    81    85    50.00000  109.50000
   92    90    91    83.00000  123.40000
   70    65    66    35.00000  109.50000
   70    65    67    50.00000  109.50000
   51    33    37    70.00000  124.00000
   51    47    48    58.35000  112.70000
   51    47    59    50.00000  109.50000
   51    54    55    55.00000  108.50000
   54    51    52    35.00000  109.50000
   40    37    38    80.00000  120.01400
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    46    35.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.00000  1.0 1.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   1.00000 -1.0 2.0
   24    29    33    51   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   7.00000 -1.0 2.0
   29    33    37    40   7.00000 -1.0 2.0
   29    33    51    47   0.09700  1.0 1.0
   29    33    51    47   0.15600 -1.0 2.0
   29    33    51    47  -0.50800  1.0 3.0
   29    33    51    52   0.00000  1.0 1.0
   29    33    51    54   0.09700  1.0 1.0
   29    33    51    54   0.15600 -1.0 2.0
   29    33    51    54  -0.50800  1.0 3.0
   33    37    38    39  -0.18600  1.0 3.0
   33    37    38    41   0.28850  1.0 1.0
   33    37    38    41   2.61350 -1.0 2.0
   33    37    38    41   0.78400  1.0 3.0
   33    37    40    43  -2.26850  1.0 1.0
   33    37    40    43   3.39050 -1.0 2.0
   33    51    54    55  -0.07800  1.0 1.0
   33    51    54    55  -0.21500 -1.0 2.0
   33    51    54    55  -0.03150  1.0 3.0
   37    33    51    47   0.09850  1.0 1.0
   37    33    51    47   0.15250 -1.0 2.0
   37    33    51    47  -0.50650  1.0 3.0
   37    33    51    52   0.00000  1.0 1.0
   37    33    51    54   0.67800  1.0 1.0
   37    33    51    54   0.47050 -1.0 2.0
   37    33    51    54  -0.62500  1.0 3.0
   37    38    41    42   7.00000 -1.0 2.0
   37    38   -41    47   7.00000 -1.0 2.0
   37    40    43    44   0.08050  1.0 3.0
   37    40    43    45   0.08050  1.0 3.0
   37    40    43    46   0.08050  1.0 3.0
   38    37    40    43  -2.26850  1.0 1.0
   38    37    40    43   3.39050 -1.0 2.0
   38    41    47    48   0.09850  1.0 1.0
   38    41    47    48   0.15250 -1.0 2.0
   38    41    47    48  -0.50650  1.0 3.0
   38    41    47    59   0.39000  1.0 1.0
   38    41    47    59  -0.05800 -1.0 2.0
   38    41    47    59  -0.55150  1.0 3.0
   38    41    47    51   0.09850  1.0 1.0
   38    41    47    51   0.15250 -1.0 2.0
   38    41    47    51  -0.50650  1.0 3.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    47   7.00000 -1.0 2.0
   41    47    48    49   0.15000  1.0 3.0
   41    47    48    50   0.15000  1.0 3.0
   41    47    48    53   0.31000  1.0 1.0
   41    47    48    53   0.14700 -1.0 2.0
   41    47    48    53   0.07550  1.0 3.0
   41    47    59    56   0.37500  1.0 3.0
   41    47   -51    33   0.31000  1.0 1.0
   41    47   -51    33   0.14700 -1.0 2.0
   41    47   -51    33   0.07550  1.0 3.0
   41    47    51    52   0.15000  1.0 3.0
   41    47    51    54   1.05650  1.0 1.0
   41    47    51    54   0.15600 -1.0 2.0
   41    47    51    54   0.53150  1.0 3.0
   42    41    47    48   0.00000  1.0 1.0
   42    41    47    59   0.00000  1.0 1.0
   42    41    47    51   0.00000  1.0 1.0
   47    48   -53    56   0.00000  1.0 1.0
   47    48    53    57   0.00000  1.0 1.0
   47    51    54    55  -0.11600  1.0 1.0
   47    51    54    55  -0.09450 -1.0 2.0
   47    51    54    55   0.21250  1.0 3.0
   48    47   -59    56   0.37500  1.0 3.0
   48    47    51    33   0.34400  1.0 1.0
   48    47    51    33   0.09450 -1.0 2.0
   48    47    51    33   0.11100  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    54   0.86500  1.0 1.0
   48    47    51    54  -0.17500 -1.0 2.0
   48    47    51    54   0.20800  1.0 3.0
   48    53   -56    59   6.00000 -1.0 2.0
   48    53    57    58   1.00000 -1.0 2.0
   48    53    57    60   1.50000 -1.0 2.0
   49    48    53    56   0.00000  1.0 1.0
   49    48    53    57   0.00000  1.0 1.0
   50    48    53    56   0.00000  1.0 1.0
   50    48    53    57   0.00000  1.0 1.0
   53    56   -59    47   1.50000 -1.0 2.0
   53    57    60    61   2.56700 -1.0 2.0
   53    57    60    62   1.49850  1.0 1.0
   53    57    60    62   1.53950 -1.0 2.0
   56    53    57    58   1.00000 -1.0 2.0
   56    53    57    60   1.50000 -1.0 2.0
   59    47    48    49   0.23400  1.0 3.0
   59    47    48    50   0.23400  1.0 3.0
   59    47   -48    53   0.61850  1.0 1.0
   59    47   -48    53  -0.22750 -1.0 2.0
   59    47   -48    53   0.15300  1.0 3.0
   59    47    51    33   0.61850  1.0 1.0
   59    47    51    33  -0.22750 -1.0 2.0
   59    47    51    33   0.15300  1.0 3.0
   59    47    51    52   0.23400  1.0 3.0
   59    47    51    54   3.69350  1.0 1.0
   59    47    51    54  -1.82950 -1.0 2.0
   57    53    56    59   6.00000 -1.0 2.0
   57    60    62    63   0.00000  1.0 1.0
   57    60    62    64   0.00000  1.0 1.0
   57    60    62    65  -0.43950  1.0 1.0
   57    60    62    65  -0.08100 -1.0 2.0
   57    60    62    65   0.03350  1.0 3.0
   58    57    60    61   2.45000 -1.0 2.0
   58    57    60    62   3.04450 -1.0 2.0
   60    62    65    66   0.15000  1.0 3.0
   60    62    65    67   0.43900  1.0 1.0
   60    62    65    67   0.49100 -1.0 2.0
   60    62    65    67   0.28400  1.0 3.0
   60    62    65    70   2.76900  1.0 1.0
   60    62    65    70  -0.24350 -1.0 2.0
   60    62    65    70  -0.78250  1.0 3.0
   61    60    62    63   0.00000  1.0 1.0
   61    60    62    64   0.00000  1.0 1.0
   61    60    62    65   0.00000  1.0 1.0
   62    65    67    68   0.15000  1.0 3.0
   62    65    67    69   0.15000  1.0 3.0
   62    65    67    72   0.62750  1.0 1.0
   62    65    67    72  -0.30950 -1.0 2.0
   62    65    67    72   0.27300  1.0 3.0
   62    65    70    71  -0.11600  1.0 1.0
   62    65    70    71  -0.09450 -1.0 2.0
   62    65    70    71   0.21250  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    70   0.23400  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    70   0.23400  1.0 3.0
   65    67    72    73  -0.32850  1.0 1.0
   65    67    72    73  -0.35800 -1.0 2.0
   65    67    72    73   0.33950  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    72   0.23400  1.0 3.0
   66    65    70    71   0.19450  1.0 3.0
   67    65    70    71  -0.11600  1.0 1.0
   67    65    70    71  -0.09450 -1.0 2.0
   67    65    70    71   0.21250  1.0 3.0
   67    72    73    74   1.63200 -1.0 2.0
   67    72    73    83   1.63200 -1.0 2.0
   68    67    72    73   0.08050  1.0 3.0
   69    67    72    73   0.08050  1.0 3.0
   72    73    74    75   3.62500 -1.0 2.0
   72    73    74    76   3.62500 -1.0 2.0
   72    73    83    79   3.62500 -1.0 2.0
   72    73    83    84   3.62500 -1.0 2.0
   73    74    76    77   3.62500 -1.0 2.0
   73    74    76    78   3.62500 -1.0 2.0
   74    73    83    79   3.62500 -1.0 2.0
   74    73    83    84   3.62500 -1.0 2.0
   74    76   -78    79   3.62500 -1.0 2.0
   74    76    78    81   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    78   3.62500 -1.0 2.0
   76    78    79    80   3.62500 -1.0 2.0
   76    78    79    83   3.62500 -1.0 2.0
   76    78    81    82   0.00000  1.0 1.0
   76    78    81    85   0.04150 -1.0 2.0
   76    78    81    92   0.64500  1.0 1.0
   76    78    81    92   0.14800 -1.0 2.0
   76    78    81    92   0.20650  1.0 3.0
   77    76    78    79   3.62500 -1.0 2.0
   77    76    78    81   3.62500 -1.0 2.0
   78    79   -83    73   3.62500 -1.0 2.0
   78    79    83    84   3.62500 -1.0 2.0
   78    81    85    86   0.43200  1.0 3.0
   78    81    85    87   0.43200  1.0 3.0
   78    81    85    88   0.08550  1.0 1.0
   78    81    85    88   1.07500 -1.0 2.0
   78    81    85    88  -0.10950  1.0 3.0
   78    81    92    90  -0.43900 -1.0 2.0
   78    81    92    90   0.14100  1.0 3.0
   79    78    81    82   0.00000  1.0 1.0
   79    78    81    85   0.04150 -1.0 2.0
   79    78    81    92   0.64500  1.0 1.0
   79    78    81    92   0.14800 -1.0 2.0
   79    78    81    92   0.20650  1.0 3.0
   80    79    83    73   3.62500 -1.0 2.0
   80    79    83    84   3.62500 -1.0 2.0
   83    73    74    75   3.62500 -1.0 2.0
   83    73   -74    76   3.62500 -1.0 2.0
   81    78    79    80   3.62500 -1.0 2.0
   81    78    79    83   3.62500 -1.0 2.0
   81    85    88    89   0.00000  1.0 1.0
   81    85   -88    90  -0.43950  1.0 1.0
   81    85   -88    90  -0.08100 -1.0 2.0
   81    85   -88    90   0.03350  1.0 3.0
   82    81    85    86   0.15000  1.0 3.0
   82    81    85    87   0.15000  1.0 3.0
   82    81    85    88   0.15000  1.0 3.0
   82    81    92    90   0.08050  1.0 3.0
   85    81   -92    90  -0.25900  1.0 1.0
   85    81   -92    90  -0.47000 -1.0 2.0
   85    81   -92    90   0.11750  1.0 3.0
   85    88    90    91   3.04450 -1.0 2.0
   85    88   -90    92   2.45000 -1.0 2.0
   86    85    88    89   0.00000  1.0 1.0
   86    85    88    90   0.00000  1.0 1.0
   87    85    88    89   0.00000  1.0 1.0
   87    85    88    90   0.00000  1.0 1.0
   88    90   -92    81  -0.80800  1.0 1.0
   88    90   -92    81   2.06850 -1.0 2.0
   89    88    90    91   2.45000 -1.0 2.0
   89    88    90    92   2.56700 -1.0 2.0
   91    90    92    81   3.00000 -1.0 2.0
   92    81    85    86   0.23400  1.0 3.0
   92    81    85    87   0.23400  1.0 3.0
   92    81   -85    88   1.12100  1.0 1.0
   92    81   -85    88  -0.16500 -1.0 2.0
   70    65    67    68   0.23400  1.0 3.0
   70    65    67    69   0.23400  1.0 3.0
   70    65    67    72   3.69350  1.0 1.0
   70    65    67    72  -1.82950 -1.0 2.0
   51    33   -37    38   7.00000 -1.0 2.0
   51    33    37    40   7.00000 -1.0 2.0
   51    47    48    49   0.15000  1.0 3.0
   51    47    48    50   0.15000  1.0 3.0
   51    47    48    53   0.34400  1.0 1.0
   51    47    48    53   0.09450 -1.0 2.0
   51    47    48    53   0.11100  1.0 3.0
   51    47    59    56   0.37500  1.0 3.0
   52    51    54    55   0.19450  1.0 3.0
   40    37    38    39   1.08500 -1.0 2.0
   40    37    38    41  -0.51250  1.0 1.0
   40    37    38    41   1.23350 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   29    51    33    37   1.10000 -1.0 2.0
   38    40    37    33   1.10000 -1.0 2.0
   37    39    38    41   1.10000 -1.0 2.0
   47    42    41    38   1.10000 -1.0 2.0
   48    57    53    56  10.50000 -1.0 2.0
   53    60    57    58  10.50000 -1.0 2.0
   61    57    60    62   1.00000 -1.0 2.0
   74    83    73    72   4.00000 -1.0 2.0
   76    75    74    73   4.00000 -1.0 2.0
   78    77    76    74   1.10000 -1.0 2.0
   79    81    78    76   4.00000 -1.0 2.0
   83    80    79    78   1.10000 -1.0 2.0
   79    84    83    73   4.00000 -1.0 2.0
   89    90    88    85   1.00000 -1.0 2.0
   88    92    90    91  10.50000 -1.0 2.0
END
