* LIGAND DATABASE FILE (OPLS2005)
*
001      97   104    194    347     594
    1     0 S   NP   _N1_     1    30.43617   100.20720   -16.81285
    2     1 S   H    _HN1     2     1.02958    79.59526    38.77802
    3     1 S   H    _H1_     3     1.02824    78.61497   148.71700
    4     1 S   H    _H2_     4     1.02770    50.17598   -86.01477
    5     1 S   CT   _CA1     5     1.50172   162.42679   -87.22945
    6     5 S   HC   _HA1     6     1.09576   105.15946   -60.58444
    7     5 S   CO3  _C1_     7     1.53829   112.42133   179.42665
    8     7 S   O2Z  _O11     8     1.26366   115.01487   -39.80425
    9     7 S   O2Z  _O12     9     1.26251   115.00952   139.20142
   10     5 S   CT   _CB1    10     1.53104   107.33912    57.26914
   11    10 S   HC   HB11    11     1.09808   109.27699   -49.73246
   12    10 S   HC   HB12    12     1.09814   110.44650    66.84942
   13    10 S   CT   _CG1    13     1.52915   112.64502  -170.90370
   14    13 S   HC   HG11    14     1.09448   110.27876   -63.30572
   15    13 S   HC   HG12    15     1.09655   110.11099    55.55086
   16    13 S   C    _CD1    16     1.51842   112.38794   175.34024
   17    16 S   O    _OE1    17     1.22735   123.19322   -15.57059
   18    16 S   N    _N2_    18     1.38540   111.65412   166.24223
   19    18 S   H    _HN2    19     1.01597   118.88893    -1.45589
   20    18 S   CT1  _CA2    20     1.46191   123.66069   177.40331
   21    20 S   HC   _HA2    21     1.09731   109.44832   -11.41549
   22    20 S   C    _C2_    22     1.53468   108.02695  -126.74339
   23    22 S   O    _O2_    23     1.23032   122.50598  -147.32515
   24    20 S   CT   _CB2    32     1.53302   111.32250   111.13997
   25    24 S   HC   HB21    33     1.09397   109.45351    51.50821
   26    24 S   HC   HB22    34     1.09502   110.51680   169.86451
   27    22 S   N    _N3_    24     1.38417   113.42985    40.26093
   28    27 S   H    _HN3    25     1.01651   119.45237    -3.80982
   29    24 S   S    _SG2    35     1.83117   111.38870   -71.73776
   30    27 S   CT   _CA3    26     1.45280   123.08206   176.91384
   31    30 S   HC   HA31    27     1.09554   107.56179   -62.80900
   32    30 S   HC   HA32    28     1.09560   107.89010    53.57089
   33    29 S   CT   _C25    36     1.88658   102.16025   144.00571
   34    33 S   OM   _O40    37     1.31628   106.64746  -179.02381
   35    30 S   CO3  _C3_    29     1.52919   114.19092   175.54086
   36    35 S   O2Z  _O31    30     1.26354   116.07365    -0.30901
   37    35 S   O2Z  _O32    31     1.26434   114.40199   179.73093
   38    33 S   CA   _C26    38     1.53875   109.89889   -62.85446
   39    38 S   CA   _C27    39     1.40707   121.08610   123.66864
   40    39 S   CA   _C28    40     1.40788   121.45716  -176.56578
   41    40 S   HA   _H17    41     1.08841   120.24180  -179.91153
   42    39 S   CO4  _C33    52     1.48380   121.32498     4.43478
   43    42 S   O    _O39    53     1.22780   118.83174  -159.68015
   44    40 S   CA   _C29    42     1.39663   120.95647    -0.75770
   45    42 S   CT   _C22    54     1.53329   117.70371    22.27161
   46    44 S   CA   _C30    43     1.39225   118.67679    -1.77321
   47    46 S   HA   _H18    44     1.08756   120.14016  -177.73471
   48    44 S   CT   _C32    48     1.49835   120.72910  -178.43677
   49    48 S   HC   _H20    49     1.09431   110.03198    87.98778
   50    48 S   HC   _H21    50     1.09517   110.91762  -151.51091
   51    48 S   HC   _H22    51     1.09509   110.89560   -32.52822
   52    45 S   CT   _C14    55     1.57254   108.59756    77.76476
   53    52 S   HC   _H3_    56     1.09573   112.17718   -20.90666
   54    33 S   CT   _C23    84     1.56501   108.89492    61.96653
   55    54 S   HC   _H16    85     1.09997   104.66181   -43.44333
   56    45 S   CT   _C21    88     1.58920   109.66014  -169.08357
   57    56 S   HC   _H8_    89     1.09457   114.46392   -10.01320
   58    38 S   CA   _C31    45     1.41790   122.82096   -55.49012
   59    52 S   CO4  _C13    57     1.52975   117.44981  -147.94597
   60    59 S   O    _O35    58     1.23084   121.06425   118.28148
   61    80 S   CT   _C16    90     1.57606   111.22895   -42.37890
   62    61 S   HC   _H5_    91     1.09475   114.14640  -127.47942
   63    58 S   OH   _O38    46     1.37362   122.29363    -3.51920
   64    63 S   HO   _H19    47     0.97530   107.32258    -5.86501
   65    59 S   CT   _C12    59     1.52644   116.71189   -70.38835
   66    65 S   HC   _H15    60     1.10342   102.83785   -96.99682
   67    52 S   CT   _C15    92     1.53184   104.38971    99.10952
   68    67 S   HC   _H4_    93     1.09528   114.24158   162.23801
   69    65 S   CO4  _C11    61     1.51309   117.33707   149.60500
   70    69 S   O    _O34    62     1.22502   123.55673     7.63412
   71    67 S   OH   _O42    94     1.41893   111.84170   -75.31344
   72    71 S   HO   _H24    95     0.97239   107.63629   -61.22202
   73    69 S   CA   _C8_    63     1.48933   116.03462  -175.92907
   74    73 S   CA   _C7_    64     1.40348   119.50355     9.40162
   75    74 S   CA   _C6_    65     1.40161   120.39744  -176.98585
   76    75 S   HA   _H12    66     1.08811   120.37999  -179.40455
   77    74 S   CO4  _C18    77     1.48938   120.93041     4.87761
   78    77 S   O    _O36    78     1.22575   119.76350  -164.54354
   79    75 S   CA   _C5_    67     1.39967   120.40705    -0.20463
   80    65 S   CT   _C17    79     1.54101   112.24155    18.96944
   81    79 S   CA   _C10    68     1.39891   119.14373    -1.30446
   82    81 S   HA   _H13    69     1.08800   119.96537  -178.61252
   83    79 S   CT   _C4_    73     1.49950   120.39968  -178.27172
   84    83 S   HC   _H9_    74     1.09432   109.99872    87.94237
   85    83 S   HC   _H10    75     1.09510   110.92974  -151.56284
   86    83 S   HC   _H11    76     1.09510   110.89602   -32.56172
   87    80 S   CT   _C19    80     1.57317   116.30729    77.02648
   88    87 S   HC   _H6_    81     1.09585   112.82764    99.38854
   89    73 S   CA   _C9_    70     1.40068   121.55848  -168.91230
   90    87 S   CO4  _C24    82     1.53011   114.72747   -25.67151
   91    90 S   O    _O37    83     1.22935   120.00529   104.94421
   92    87 S   CT   _C20    86     1.52455   104.37894  -140.90591
   93    92 S   HC   _H7_    87     1.09402   114.49686   162.93126
   94    89 S   OH   _O33    71     1.36885   123.43022    -2.37224
   95    94 S   HO   _H14    72     0.97438   108.89133    -2.88453
   96    92 S   OH   _O41    96     1.41998   111.57561   -74.81071
   97    96 S   HO   _H23    97     0.97238   107.61306   -64.37302
  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
  16   7   2   1   1  15  13  12   4  15   4   8  21   8   3   4
   2   1   1  19   9  13   4  17   8   2  13   5  18   8   1   1
  14   6   7   3  10   4   2   1  12  11  12   4   8   2   8   7
   8   3   4   2   1   1   7   5   2   4   1   3   2   1   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    58    45    90    54    55  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    46    58    63    42    45    52    87    90    91    54    55    56  
   38    39    58    45    90    54    55  
   36    37  
   37  
    0  
   39    40    41    44    46    47    58    63    64    42    43    45    90    54    55  
   40    41    44    46    58    63    48    42    43    45    52    54    56  
   41    44    46    47    58    48    49    50    51    42    43    45  
   44    46    48    42  
   43    45    52    53    59    90    54    55    92    56    57    61    67    44    58  
   45    52    54    56  
   46    47    58    63    48    49    50    51  
   52    53    59    60    65    80    87    90    91    54    55    92    93    56    57    61    62    67    68    71    96  
   47    58    63    64    48    49    50    51  
   58    63    48  
   49    50    51    58  
   50    51  
   51  
    0  
   53    59    60    65    66    69    80    90    54    55    92    56    57    61    62    67    68    71    72  
   59    60    65    54    56    61    67    68    71  
   55    92    56    57    61    67    58    59    80    87    88    90    91  
   56    87    90    91  
   57    61    62    67    68    71    96    97    59    65    77    80    87    88    90    92    93  
   61    62    67    96    80    87    92    93  
   63    64  
   60    65    66    69    70    73    77    80    87    61    67    68    71  
   65    66    69    80    67  
   62    67    68    71    72    96    65    66    69    74    77    78    80    87    88    90    92    93  
   67    68    71    65    77    80    87    92  
   64  
    0  
   66    69    70    73    74    89    77    78    80    87    88    90    92    67  
   69    70    73    77    80    87  
   68    71    72    77    80    87    92  
   71    72    80  
   70    73    74    75    81    89    94    77    80    87  
   73    74    89    80  
   72    80  
    0  
   74    75    76    79    81    82    89    94    95    77    78    80  
   75    76    79    81    89    94    83    77    78    80    87  
   76    79    81    82    89    83    84    85    86    77    78    80  
   79    81    83    77  
   78    80    87    88    90    92    79    89  
   80    87  
   81    82    89    94    83    84    85    86  
   87    88    90    91    92    93    96  
   82    89    94    95    83    84    85    86  
   89    94    83  
   84    85    86    89  
   85    86  
   86  
    0  
   88    90    91    92    93    96    97  
   90    91    92    93    96  
   94    95  
   91    92    93    96  
   92  
   93    96    97  
   96    97  
   95  
    0  
   97  
    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   4.2000   0.3000   0.102500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.065000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   90   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   92   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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
   96   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   97   0.5000   0.0300   0.418000   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   570.000  1.307
   33    38   317.000  1.510
   33    54   268.000  1.529
   38    39   469.000  1.400
   38    58   469.000  1.400
   39    40   469.000  1.400
   39    42   310.000  1.470
   40    41   367.000  1.080
   40    44   469.000  1.400
   44    46   469.000  1.400
   44    48   317.000  1.510
   46    47   367.000  1.080
   46    58   469.000  1.400
   58    63   450.000  1.364
   63    64   553.000  0.945
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   42    43   570.000  1.229
   42    45   317.000  1.522
   45    52   268.000  1.529
   45    54   268.000  1.529
   45    56   268.000  1.529
   52    53   340.000  1.090
   52    59   317.000  1.522
   52    67   268.000  1.529
   59    60   570.000  1.229
   59    65   317.000  1.522
   65    66   340.000  1.090
   65    69   317.000  1.522
   65    80   268.000  1.529
   69    70   570.000  1.229
   69    73   310.000  1.470
   73    74   469.000  1.400
   73    89   469.000  1.400
   74    75   469.000  1.400
   74    77   310.000  1.470
   75    76   367.000  1.080
   75    79   469.000  1.400
   79    81   469.000  1.400
   79    83   317.000  1.510
   81    82   367.000  1.080
   81    89   469.000  1.400
   89    94   450.000  1.364
   94    95   553.000  0.945
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   77    78   570.000  1.229
   77    80   317.000  1.522
   80    87   268.000  1.529
   80    61   268.000  1.529
   87    88   340.000  1.090
   87    90   317.000  1.522
   87    92   268.000  1.529
   90    91   570.000  1.229
   90    54   317.000  1.522
   54    55   340.000  1.090
   92    93   340.000  1.090
   92    56   268.000  1.529
   92    96   320.000  1.410
   56    57   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    67   268.000  1.529
   67    68   340.000  1.090
   67    71   320.000  1.410
   71    72   553.000  0.945
   96    97   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    85.00000  114.68000
   29    33    38    80.00000  109.48900
   29    33    54    75.00000  111.63000
   33    38    39    70.00000  120.00000
   33    38    58    70.00000  120.00000
   33    54    45    58.35000  112.70000
   33    54    90    63.00000  111.10000
   33    54    55    37.50000  110.70000
   38    33    34    85.00000  111.85700
   38    39    40    63.00000  120.00000
   38    39    42    60.00000  119.52600
   38    58    46    63.00000  120.00000
   38    58    63    70.00000  120.00000
   39    40    41    35.00000  120.00000
   39    40    44    63.00000  120.00000
   39    42    43    75.00000  123.78400
   39    42    45    65.00000  115.47100
   40    44    46    63.00000  120.00000
   40    44    48    70.00000  120.00000
   44    40    41    35.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    58    63.00000  120.00000
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    51    35.00000  109.50000
   46    58    63    70.00000  120.00000
   58    38    39    63.00000  120.00000
   58    46    47    35.00000  120.00000
   58    63    64    35.00000  113.00000
   48    44    46    70.00000  120.00000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   42    39    40    60.00000  119.52600
   42    45    52    63.00000  111.10000
   42    45    54    63.00000  111.10000
   42    45    56    63.00000  111.10000
   45    42    43    80.00000  120.40000
   45    52    53    37.50000  110.70000
   45    52    59    63.00000  111.10000
   45    52    67    58.35000  112.70000
   45    54    90    63.00000  111.10000
   45    54    55    37.50000  110.70000
   45    56    92    58.35000  112.70000
   45    56    57    37.50000  110.70000
   45    56    61    58.35000  112.70000
   52    59    60    80.00000  120.40000
   52    59    65    70.00000  116.00000
   52    67    61    58.35000  112.70000
   52    67    68    37.50000  110.70000
   52    67    71    50.00000  109.50000
   59    52    53    35.00000  109.50000
   59    65    66    35.00000  109.50000
   59    65    69    75.00000  107.99600
   59    65    80    63.00000  111.10000
   65    59    60    80.00000  120.40000
   65    69    70    80.00000  120.40000
   65    69    73    65.00000  115.47100
   65    80    77    63.00000  111.10000
   65    80    87    58.35000  112.70000
   65    80    61    58.35000  112.70000
   69    65    66    35.00000  109.50000
   69    73    74    60.00000  119.52600
   69    73    89    60.00000  119.52600
   73    69    70    75.00000  123.78400
   73    74    75    63.00000  120.00000
   73    74    77    60.00000  119.52600
   73    89    81    63.00000  120.00000
   73    89    94    70.00000  120.00000
   74    75    76    35.00000  120.00000
   74    75    79    63.00000  120.00000
   74    77    78    75.00000  123.78400
   74    77    80    65.00000  115.47100
   75    79    81    63.00000  120.00000
   75    79    83    70.00000  120.00000
   79    75    76    35.00000  120.00000
   79    81    82    35.00000  120.00000
   79    81    89    63.00000  120.00000
   79    83    84    35.00000  109.50000
   79    83    85    35.00000  109.50000
   79    83    86    35.00000  109.50000
   81    89    94    70.00000  120.00000
   89    73    74    63.00000  120.00000
   89    81    82    35.00000  120.00000
   89    94    95    35.00000  113.00000
   83    79    81    70.00000  120.00000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   77    74    75    60.00000  119.52600
   77    80    87    63.00000  111.10000
   77    80    61    63.00000  111.10000
   80    65    66    37.50000  110.70000
   80    65    69    63.00000  111.10000
   80    77    78    80.00000  120.40000
   80    87    88    37.50000  110.70000
   80    87    90    63.00000  111.10000
   80    87    92    58.35000  112.70000
   80    61    56    58.35000  112.70000
   80    61    62    37.50000  110.70000
   80    61    67    58.35000  112.70000
   87    90    91    80.00000  120.40000
   87    90    54    70.00000  116.00000
   87    92    93    37.50000  110.70000
   87    92    56    58.35000  112.70000
   87    92    96    50.00000  109.50000
   90    87    88    35.00000  109.50000
   90    54    55    35.00000  109.50000
   54    33    34    50.00000  109.50000
   54    33    38    70.00000  112.17500
   54    45    52    58.35000  112.70000
   54    90    91    80.00000  120.40000
   92    87    88    37.50000  110.70000
   92    87    90    63.00000  111.10000
   92    56    57    37.50000  110.70000
   92    56    61    58.35000  112.70000
   92    96    97    55.00000  108.50000
   56    45    52    58.35000  112.70000
   56    45    54    58.35000  112.70000
   56    92    93    37.50000  110.70000
   56    61    62    37.50000  110.70000
   56    61    67    58.35000  112.70000
   61    80    87    58.35000  112.70000
   61    56    57    37.50000  110.70000
   61    67    68    37.50000  110.70000
   61    67    71    50.00000  109.50000
   67    52    53    37.50000  110.70000
   67    52    59    63.00000  111.10000
   67    61    62    37.50000  110.70000
   67    71    72    55.00000  108.50000
   71    67    68    35.00000  109.50000
   96    92    93    35.00000  109.50000
   96    92    56    50.00000  109.50000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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    39  -0.16000  1.0 1.0
   29    33    38    39  -0.03200 -1.0 2.0
   29    33    38    39   0.04500  1.0 3.0
   29    33    38    58  -0.16000  1.0 1.0
   29    33    38    58  -0.03200 -1.0 2.0
   29    33    38    58   0.04500  1.0 3.0
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   56    45   -52    67  -0.07550 -1.0 2.0
   56    45   -52    67   0.20000  1.0 3.0
   56    45    54    33   0.56750  1.0 1.0
   56    45    54    33  -0.07550 -1.0 2.0
   56    45    54    33   0.20000  1.0 3.0
   56    45   -54    90  -0.95700  1.0 1.0
   56    45   -54    90  -0.18200 -1.0 2.0
   56    45   -54    90   0.29450  1.0 3.0
   56    45    54    55   0.15000  1.0 3.0
   56    92    96    97  -0.11600  1.0 1.0
   56    92    96    97  -0.09450 -1.0 2.0
   56    92    96    97   0.21250  1.0 3.0
   56    61   -67    52   0.56750  1.0 1.0
   56    61   -67    52  -0.07550 -1.0 2.0
   56    61   -67    52   0.20000  1.0 3.0
   56    61    67    68   0.15000  1.0 3.0
   56    61    67    71   0.86500  1.0 1.0
   56    61    67    71  -0.17500 -1.0 2.0
   56    61    67    71   0.20800  1.0 3.0
   57    56    61    80   0.15000  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    67   0.15000  1.0 3.0
   61    80    87    88   0.15000  1.0 3.0
   61    80    87    90  -0.95700  1.0 1.0
   61    80    87    90  -0.18200 -1.0 2.0
   61    80    87    90   0.29450  1.0 3.0
   61    80   -87    92   0.56750  1.0 1.0
   61    80   -87    92  -0.07550 -1.0 2.0
   61    80   -87    92   0.20000  1.0 3.0
   61    67    71    72  -0.11600  1.0 1.0
   61    67    71    72  -0.09450 -1.0 2.0
   61    67    71    72   0.21250  1.0 3.0
   62    61    67    52   0.15000  1.0 3.0
   62    61    67    68   0.15000  1.0 3.0
   62    61    67    71   0.23400  1.0 3.0
   67    52    59    60   0.30150 -1.0 2.0
   67    52   -59    65   0.60050  1.0 1.0
   67    52   -59    65   0.05600 -1.0 2.0
   67    52   -59    65   0.26150  1.0 3.0
   68    67    71    72   0.19450  1.0 3.0
   96    92    56    45   0.86500  1.0 1.0
   96    92    56    45  -0.17500 -1.0 2.0
   96    92    56    45   0.20800  1.0 3.0
   96    92    56    57   0.23400  1.0 3.0
   96    92    56    61   0.86500  1.0 1.0
   96    92    56    61  -0.17500 -1.0 2.0
   96    92    56    61   0.20800  1.0 3.0
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
   39    58    38    33   4.00000 -1.0 2.0
   40    42    39    38   4.00000 -1.0 2.0
   44    41    40    39   1.10000 -1.0 2.0
   46    48    44    40   4.00000 -1.0 2.0
   58    47    46    44   1.10000 -1.0 2.0
   46    63    58    38   4.00000 -1.0 2.0
   39    45    42    43  10.50000 -1.0 2.0
   52    65    59    60  10.50000 -1.0 2.0
   65    73    69    70  10.50000 -1.0 2.0
   74    89    73    69   4.00000 -1.0 2.0
   75    77    74    73   4.00000 -1.0 2.0
   79    76    75    74   1.10000 -1.0 2.0
   81    83    79    75   4.00000 -1.0 2.0
   89    82    81    79   1.10000 -1.0 2.0
   81    94    89    73   4.00000 -1.0 2.0
   74    80    77    78  10.50000 -1.0 2.0
   87    54    90    91  10.50000 -1.0 2.0
END
