* LIGAND DATABASE FILE (OPLS2005)
*
001      95    98    167    274     498
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02043    53.05932    91.95898
    3     1 S   H    _H1_     3     1.02099    59.13459  -111.59356
    4     1 S   H    _H2_     4     1.02091   106.51041    -9.32898
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C15    36     1.80604    98.14668  -178.23764
   34    33 S   HC   _H4_    37     1.09683   105.60638   -37.38499
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CA   _C16    38     1.51717   110.85162    80.02536
   39    33 S   CT   _C14    69     1.53475   108.90287  -153.28010
   40    39 S   HC   _H12    70     1.09685   112.26694   -44.62672
   41    39 S   HC   _H13    71     1.09757   111.40085  -163.50125
   42    38 S   CA   _C17    39     1.39705   119.88301    64.38759
   43    42 S   HA   _H14    40     1.08695   120.31640     0.67493
   44    39 S   CO4  _C13    72     1.51219   111.83908    76.46982
   45    44 S   O    _O36    73     1.22385   123.79476  -123.74205
   46    42 S   CA   _C18    41     1.40402   120.54280  -178.92644
   47    46 S   HA   _H15    42     1.08758   119.29921   179.79923
   48    44 S   OS   _O35    74     1.36445   110.01407    56.16041
   49    46 S   CA   _C19    43     1.39481   120.52574     0.02798
   50    48 S   CT   _C11    75     1.43131   115.42550  -179.86294
   51    50 S   HC   _H3_    76     1.09757   108.05957   -30.06412
   52    49 S   CA   _C20    44     1.38335   117.91245    -0.32143
   53    49 S   OH   _O42    67     1.35639   120.64687   179.65057
   54    53 S   HO   _H21    68     0.97223   110.47419     0.05935
   55    50 S   CO3  _C12    77     1.53622   106.54421    86.39724
   56    55 S   O2Z  _O34    78     1.26585   114.18033    64.07826
   57    55 S   O2Z  _O33    79     1.26103   116.55851  -116.12091
   58    50 S   CT   _C10    80     1.52974   108.80059  -149.93039
   59    58 S   HC   _H10    81     1.09805   110.34996   -43.14969
   60    58 S   HC   _H11    82     1.09713   110.54611  -160.42696
   61    38 S   CA   _C21    45     1.38534   121.67937  -114.90616
   62    58 S   CA   _C9_    83     1.51090   112.23604    78.40332
   63    61 S   CT   _C22    46     1.48406   129.41426     0.83204
   64    63 S   HC   _H5_    47     1.09519   111.98164    63.95478
   65    62 S   CA   _C4_    84     1.39476   119.94384    90.14027
   66    65 S   HA   _H7_    85     1.08596   120.58105    -0.06853
   67    63 S   CT   _C23    48     1.54606   100.03492  -175.23951
   68    67 S   HC   _H6_    49     1.09697   112.79621   109.26530
   69    63 S   CO3  _C30    64     1.51040   110.72373   -60.70043
   70    69 S   O2Z  _O41    65     1.26284   115.25748   -54.86529
   71    69 S   O2Z  _O40    66     1.26235   114.82506   125.05355
   72    65 S   CA   _C5_    86     1.39534   119.95873   179.89165
   73    72 S   HA   _H8_    87     1.08660   119.59362   180.00000
   74    67 S   CA   _C24    50     1.49369   111.57086  -129.34221
   75    52 S   OS   _O37    63     1.36850   123.95516   179.27153
   76    72 S   CA   _C6_    88     1.39454   120.02948    -0.01978
   77    74 S   CA   _C25    51     1.39483   120.02259  -124.32668
   78    77 S   HA   _H16    52     1.08722   120.46001     0.02798
   79    76 S   CA   _C7_    89     1.39566   119.97128    -0.02798
   80    76 S   OH   _O44    94     1.36209   119.47771  -179.96044
   81    80 S   HO   _H23    95     0.97050   110.17639    -0.03956
   82    77 S   CA   _C26    53     1.39473   120.00989   179.90309
   83    82 S   HA   _H17    54     1.08702   119.60520  -180.00000
   84    62 S   CA   _C8_    90     1.39392   120.01524   -89.96012
   85    84 S   HA   _H9_    91     1.08751   120.16107     0.00000
   86    79 S   OH   _O43    92     1.36219   120.52151   179.91153
   87    86 S   HO   _H22    93     0.97014   110.19928  -180.00000
   88    82 S   CA   _C27    55     1.39457   119.99148    -0.00000
   89    88 S   CA   _C28    56     1.39522   120.00221     0.03956
   90    88 S   OH   _O39    61     1.36307   119.42972   180.00000
   91    90 S   HO   _H20    62     0.97031   110.18255     0.03956
   92    74 S   CA   _C29    57     1.39484   119.96677    55.61773
   93    92 S   HA   _H18    58     1.08658   120.17631     0.02798
   94    89 S   OH   _O38    59     1.36262   120.49104   179.93147
   95    94 S   HO   _H19    60     0.97072   110.12457  -179.97202
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1  16   8   4   3   8   4   6   2   7   3   9
   7  10   7  10   3   1   6   2   1   9   4   3   9   9  10   7
   8   4  12   5   4   1   1   7   3  10   2   7   8   4   6   3
   1   7   3   3   1   1   1   7   6   3   1   3   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    61    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    52    61    63    39    40    41    44    45    48  
   38    42    61    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    52    61    63    64    67    75    69    39    40    41    44  
   40    41    44    45    48    50    42    61  
   41    44    45    48  
   44    45    48  
   43    46    47    49    52    61    63    53  
   46    47    49    61  
   45    48    50    51    55    58  
   48    50  
   47    49    52    61    75    53    54  
   49    52    53  
   50    51    55    56    57    58    59    60    62  
   52    61    63    67    75    53    54  
   51    55    56    57    58    59    60    62    65    84  
   55    56    57    58    59    60    62  
   61    63    64    67    68    74    75    69    53    54  
   54    61    75  
    0  
   56    57    58    59    60    62  
   57    58  
   58  
   59    60    62    65    66    72    79    84    85  
   60    62    65    84  
   62    65    84  
   63    64    67    68    74    75    69    70    71  
   65    66    72    73    76    79    84    85    86  
   64    67    68    74    77    92    75    69    70    71  
   67    68    74    75    69    70    71  
   66    72    73    76    79    84    85    80  
   72    73    76    84  
   68    74    77    78    82    89    92    93    75    69    70    71  
   74    77    92    75    69  
   70    71    74    75  
   71  
    0  
   73    76    79    84    86    80    81  
   76    79    80  
   77    78    82    83    88    89    92    93    94    75  
   77    92  
   79    84    85    86    87    80    81  
   78    82    83    88    89    92    93    90  
   82    83    88    92  
   84    85    86    87    80    81  
   81    84    86  
    0  
   83    88    89    92    94    90    91  
   88    89    90  
   85    86    87  
   86  
   87  
    0  
   89    92    93    94    95    90    91  
   92    93    94    95    90    91  
   91    92    94  
    0  
   93    94    95  
   94  
   95  
    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  -0.335000   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   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660  -0.045000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   75   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   86   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   88   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   89   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   90   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   91   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   92   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   93   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   94   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   95   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    61   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    52   469.000  1.400
   49    53   450.000  1.364
   52    61   469.000  1.400
   52    75   450.000  1.364
   61    63   317.000  1.510
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    69   317.000  1.522
   67    68   340.000  1.090
   67    74   317.000  1.510
   67    75   320.000  1.410
   74    77   469.000  1.400
   74    92   469.000  1.400
   77    78   367.000  1.080
   77    82   469.000  1.400
   82    83   367.000  1.080
   82    88   469.000  1.400
   88    89   469.000  1.400
   88    90   450.000  1.364
   89    92   469.000  1.400
   89    94   450.000  1.364
   92    93   367.000  1.080
   94    95   553.000  0.945
   90    91   553.000  0.945
   69    70   656.000  1.250
   69    71   656.000  1.250
   53    54   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   214.000  1.327
   48    50   320.000  1.410
   50    51   340.000  1.090
   50    55   317.000  1.522
   50    58   268.000  1.529
   55    56   656.000  1.250
   55    57   656.000  1.250
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    62   317.000  1.510
   62    65   469.000  1.400
   62    84   469.000  1.400
   65    66   367.000  1.080
   65    72   469.000  1.400
   72    73   367.000  1.080
   72    76   469.000  1.400
   76    79   469.000  1.400
   76    80   450.000  1.364
   79    84   469.000  1.400
   79    86   450.000  1.364
   84    85   367.000  1.080
   86    87   553.000  0.945
   80    81   553.000  0.945
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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    61    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    61    52    63.00000  120.00000
   38    61    63    70.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    52    63.00000  120.00000
   46    49    53    70.00000  120.00000
   49    46    47    35.00000  120.00000
   49    52    61    63.00000  120.00000
   49    52    75    70.00000  120.00000
   49    53    54    35.00000  113.00000
   52    61    63    70.00000  120.00000
   52    75    67    75.00000  111.00000
   61    38    42    63.00000  120.00000
   61    63    64    35.00000  109.50000
   61    63    67    70.00000  112.17500
   61    63    69    70.00000  106.62600
   63    67    68    37.50000  110.70000
   63    67    74    70.00000  112.17500
   63    67    75    50.00000  109.50000
   63    69    70    70.00000  117.00000
   63    69    71    70.00000  117.00000
   67    63    64    37.50000  110.70000
   67    74    77    70.00000  120.00000
   67    74    92    70.00000  120.00000
   74    67    68    35.00000  109.50000
   74    77    78    35.00000  120.00000
   74    77    82    63.00000  120.00000
   74    92    89    63.00000  120.00000
   74    92    93    35.00000  120.00000
   77    82    83    35.00000  120.00000
   77    82    88    63.00000  120.00000
   82    77    78    35.00000  120.00000
   82    88    89    63.00000  120.00000
   82    88    90    70.00000  120.00000
   88    82    83    35.00000  120.00000
   88    89    92    63.00000  120.00000
   88    89    94    70.00000  120.00000
   88    90    91    35.00000  113.00000
   89    92    93    35.00000  120.00000
   89    94    95    35.00000  113.00000
   92    74    77    63.00000  120.00000
   94    89    92    70.00000  120.00000
   90    88    89    70.00000  120.00000
   75    52    61    70.00000  120.00000
   75    67    68    35.00000  109.50000
   75    67    74    85.00000  111.85700
   69    63    64    35.00000  109.50000
   69    63    67    70.00000  109.69300
   71    69    70    80.00000  126.00000
   53    49    52    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    81.00000  111.40000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    50    83.00000  116.90000
   48    44    45    83.00000  123.40000
   48    50    51    35.00000  109.50000
   48    50    55    85.00000  109.63000
   48    50    58    50.00000  109.50000
   50    55    56    70.00000  117.00000
   50    55    57    70.00000  117.00000
   50    58    59    37.50000  110.70000
   50    58    60    37.50000  110.70000
   50    58    62    70.00000  112.17500
   55    50    51    35.00000  109.50000
   57    55    56    80.00000  126.00000
   58    50    51    37.50000  110.70000
   58    50    55    70.00000  109.69300
   58    62    65    70.00000  120.00000
   58    62    84    70.00000  120.00000
   60    58    59    33.00000  107.80000
   62    58    59    35.00000  109.50000
   62    58    60    35.00000  109.50000
   62    65    66    35.00000  120.00000
   62    65    72    63.00000  120.00000
   62    84    79    63.00000  120.00000
   62    84    85    35.00000  120.00000
   65    72    73    35.00000  120.00000
   65    72    76    63.00000  120.00000
   72    65    66    35.00000  120.00000
   72    76    79    63.00000  120.00000
   72    76    80    70.00000  120.00000
   76    72    73    35.00000  120.00000
   76    79    84    63.00000  120.00000
   76    79    86    70.00000  120.00000
   76    80    81    35.00000  113.00000
   79    84    85    35.00000  120.00000
   79    86    87    35.00000  113.00000
   84    62    65    63.00000  120.00000
   86    79    84    70.00000  120.00000
   80    76    79    70.00000  120.00000
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   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    61  -0.16000  1.0 1.0
   29    33    38    61  -0.03200 -1.0 2.0
   29    33    38    61   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    61    52   3.62500 -1.0 2.0
   33    38    61    63   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.36750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    61   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   38    61    63    64   0.00000  1.0 1.0
   38    61    63    67   0.04150 -1.0 2.0
   38    61    63    69   0.04300 -1.0 2.0
   42    38    61    52   3.62500 -1.0 2.0
   42    38    61    63   3.62500 -1.0 2.0
   42    46   -49    52   3.62500 -1.0 2.0
   42    46    49    53   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    52    61   3.62500 -1.0 2.0
   46    49    52    75   3.62500 -1.0 2.0
   46    49    53    54   0.84100 -1.0 2.0
   47    46    49    52   3.62500 -1.0 2.0
   47    46    49    53   3.62500 -1.0 2.0
   49    52   -61    38   3.62500 -1.0 2.0
   49    52    61    63   3.62500 -1.0 2.0
   49    52    75    67   1.63200 -1.0 2.0
   52    49    53    54   0.84100 -1.0 2.0
   52    61    63    64   0.00000  1.0 1.0
   52    61   -63    67   0.04150 -1.0 2.0
   52    61    63    69   0.04300 -1.0 2.0
   61    38    42    43   3.62500 -1.0 2.0
   61    38   -42    46   3.62500 -1.0 2.0
   61    52   -75    67   1.63200 -1.0 2.0
   61    63    67    68   0.43200  1.0 3.0
   61    63    67    74  -0.94300  1.0 1.0
   61    63    67    74   1.32550 -1.0 2.0
   61    63    67    74  -0.07100  1.0 3.0
   61    63   -67    75  -0.64350  1.0 1.0
   61    63   -67    75  -0.04200 -1.0 2.0
   61    63   -67    75   0.19800  1.0 3.0
   61    63    69    70   0.30150 -1.0 2.0
   61    63    69    71   0.30150 -1.0 2.0
   63    67    74    77   0.04150 -1.0 2.0
   63    67    74    92   0.04150 -1.0 2.0
   63    67   -75    52  -0.32850  1.0 1.0
   63    67   -75    52  -0.35800 -1.0 2.0
   63    67   -75    52   0.33950  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    74   0.43200  1.0 3.0
   64    63    67    75   0.23400  1.0 3.0
   64    63    69    70   0.00000  1.0 1.0
   64    63    69    71   0.00000  1.0 1.0
   67    63    69    70   0.41150 -1.0 2.0
   67    63    69    71   0.41150 -1.0 2.0
   67    74    77    78   3.62500 -1.0 2.0
   67    74    77    82   3.62500 -1.0 2.0
   67    74    92    89   3.62500 -1.0 2.0
   67    74    92    93   3.62500 -1.0 2.0
   68    67    74    77   0.00000  1.0 1.0
   68    67    74    92   0.00000  1.0 1.0
   68    67    75    52   0.08050  1.0 3.0
   74    67    75    52  -0.50150  1.0 1.0
   74    67    75    52  -0.23050 -1.0 2.0
   74    67    75    52   0.70600  1.0 3.0
   74    77    82    83   3.62500 -1.0 2.0
   74    77    82    88   3.62500 -1.0 2.0
   77    74    92    89   3.62500 -1.0 2.0
   77    74    92    93   3.62500 -1.0 2.0
   77    82   -88    89   3.62500 -1.0 2.0
   77    82    88    90   3.62500 -1.0 2.0
   78    77    82    83   3.62500 -1.0 2.0
   78    77    82    88   3.62500 -1.0 2.0
   82    88    89    92   3.62500 -1.0 2.0
   82    88    89    94   3.62500 -1.0 2.0
   82    88    90    91   0.84100 -1.0 2.0
   83    82    88    89   3.62500 -1.0 2.0
   83    82    88    90   3.62500 -1.0 2.0
   88    89   -92    74   3.62500 -1.0 2.0
   88    89    92    93   3.62500 -1.0 2.0
   88    89    94    95   0.84100 -1.0 2.0
   89    88    90    91   0.84100 -1.0 2.0
   92    74    77    78   3.62500 -1.0 2.0
   92    74   -77    82   3.62500 -1.0 2.0
   92    89    94    95   0.84100 -1.0 2.0
   94    89    92    74   3.62500 -1.0 2.0
   94    89    92    93   3.62500 -1.0 2.0
   90    88    89    92   3.62500 -1.0 2.0
   90    88    89    94   3.62500 -1.0 2.0
   75    52    61    38   3.62500 -1.0 2.0
   75    52   -61    63   3.62500 -1.0 2.0
   75    67    74    77   0.64500  1.0 1.0
   75    67    74    77   0.14800 -1.0 2.0
   75    67    74    77   0.20650  1.0 3.0
   75    67    74    92   0.64500  1.0 1.0
   75    67    74    92   0.14800 -1.0 2.0
   75    67    74    92   0.20650  1.0 3.0
   69    63    67    68  -0.11250  1.0 3.0
   69    63    67    74  -2.95950  1.0 1.0
   69    63    67    74   0.02300  1.0 3.0
   69    63    67    75  -3.35100  1.0 1.0
   69    63    67    75  -0.37050 -1.0 2.0
   69    63    67    75   0.22400  1.0 3.0
   53    49    52    61   3.62500 -1.0 2.0
   53    49    52    75   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    61   0.04150 -1.0 2.0
   39    44    48    50   1.63150  1.0 1.0
   39    44    48    50   2.92000 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    50    51   0.08050  1.0 3.0
   44    48    50    55  -1.80650  1.0 1.0
   44    48    50    55   0.63900 -1.0 2.0
   44    48    50    55   0.03650  1.0 3.0
   44    48    50    58  -0.25900  1.0 1.0
   44    48    50    58  -0.47000 -1.0 2.0
   44    48    50    58   0.11750  1.0 3.0
   45    44    48    50   3.00000 -1.0 2.0
   48    50    55    56   0.30150 -1.0 2.0
   48    50    55    57   0.30150 -1.0 2.0
   48    50    58    59   0.23400  1.0 3.0
   48    50    58    60   0.23400  1.0 3.0
   48    50    58    62  -0.64350  1.0 1.0
   48    50    58    62  -0.04200 -1.0 2.0
   48    50    58    62   0.19800  1.0 3.0
   50    58    62    65   0.04150 -1.0 2.0
   50    58    62    84   0.04150 -1.0 2.0
   51    50    55    56   0.00000  1.0 1.0
   51    50    55    57   0.00000  1.0 1.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    60   0.15000  1.0 3.0
   51    50    58    62   0.43200  1.0 3.0
   55    50    58    59  -0.11250  1.0 3.0
   55    50    58    60  -0.11250  1.0 3.0
   55    50    58    62  -2.95950  1.0 1.0
   55    50    58    62   0.02300  1.0 3.0
   58    50    55    56   0.41150 -1.0 2.0
   58    50    55    57   0.41150 -1.0 2.0
   58    62    65    66   3.62500 -1.0 2.0
   58    62    65    72   3.62500 -1.0 2.0
   58    62    84    79   3.62500 -1.0 2.0
   58    62    84    85   3.62500 -1.0 2.0
   59    58    62    65   0.00000  1.0 1.0
   59    58    62    84   0.00000  1.0 1.0
   60    58    62    65   0.00000  1.0 1.0
   60    58    62    84   0.00000  1.0 1.0
   62    65    72    73   3.62500 -1.0 2.0
   62    65    72    76   3.62500 -1.0 2.0
   65    62    84    79   3.62500 -1.0 2.0
   65    62    84    85   3.62500 -1.0 2.0
   65    72   -76    79   3.62500 -1.0 2.0
   65    72    76    80   3.62500 -1.0 2.0
   66    65    72    73   3.62500 -1.0 2.0
   66    65    72    76   3.62500 -1.0 2.0
   72    76    79    84   3.62500 -1.0 2.0
   72    76    79    86   3.62500 -1.0 2.0
   72    76    80    81   0.84100 -1.0 2.0
   73    72    76    79   3.62500 -1.0 2.0
   73    72    76    80   3.62500 -1.0 2.0
   76    79   -84    62   3.62500 -1.0 2.0
   76    79    84    85   3.62500 -1.0 2.0
   76    79    86    87   0.84100 -1.0 2.0
   79    76    80    81   0.84100 -1.0 2.0
   84    62    65    66   3.62500 -1.0 2.0
   84    62   -65    72   3.62500 -1.0 2.0
   84    79    86    87   0.84100 -1.0 2.0
   86    79    84    62   3.62500 -1.0 2.0
   86    79    84    85   3.62500 -1.0 2.0
   80    76    79    84   3.62500 -1.0 2.0
   80    76    79    86   3.62500 -1.0 2.0
IPHI
    8     5     7     9  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    35    37  10.50000 -1.0 2.0
   42    61    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   52    53    49    46   4.00000 -1.0 2.0
   61    75    52    49   4.00000 -1.0 2.0
   52    63    61    38   4.00000 -1.0 2.0
   77    92    74    67   4.00000 -1.0 2.0
   82    78    77    74   1.10000 -1.0 2.0
   88    83    82    77   1.10000 -1.0 2.0
   89    90    88    82   4.00000 -1.0 2.0
   92    94    89    88   4.00000 -1.0 2.0
   89    93    92    74   1.10000 -1.0 2.0
   70    63    69    71  10.50000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   56    50    55    57  10.50000 -1.0 2.0
   65    84    62    58   4.00000 -1.0 2.0
   72    66    65    62   1.10000 -1.0 2.0
   76    73    72    65   1.10000 -1.0 2.0
   79    80    76    72   4.00000 -1.0 2.0
   84    86    79    76   4.00000 -1.0 2.0
   79    85    84    62   1.10000 -1.0 2.0
END
