* LIGAND DATABASE FILE (OPLS2005)
*
001      64    64    118    176     349
    1     0 S   NP   _N1_     1    28.62375    94.80649   -21.80673
    2     1 S   H    _HN1     2     1.02960    87.11250    27.37965
    3     1 S   H    _H1_     3     1.02836    30.35429   159.22060
    4     1 S   H    _H2_     4     1.02778    93.66927   -80.80036
    5     1 S   CT   _CA1     5     1.50104   140.63998   146.66857
    6     5 S   HC   _HA1     6     1.09574   105.25886    65.88960
    7     5 S   CO3  _C1_     7     1.53795   112.35590   -54.37410
    8     7 S   O2Z  _O11     8     1.26359   115.01149   -45.15133
    9     7 S   O2Z  _O12     9     1.26238   114.91538   134.09187
   10     5 S   CT   _CB1    10     1.53100   107.43967  -176.19471
   11    10 S   HC   HB11    11     1.09824   109.37777   -50.96804
   12    10 S   HC   HB12    12     1.09821   110.39898    65.58292
   13    10 S   CT   _CG1    13     1.53011   112.65426  -172.07526
   14    13 S   HC   HG11    14     1.09597   110.42809   -62.67782
   15    13 S   HC   HG12    15     1.09647   110.01656    56.54306
   16    13 S   C    _CD1    16     1.51807   112.30442   176.92190
   17    16 S   O    _OE1    17     1.22726   123.26545    -3.49760
   18    16 S   N    _N2_    18     1.38644   111.64210   176.63850
   19    18 S   H    _HN2    19     1.01591   119.03271     1.32618
   20    18 S   CT1  _CA2    20     1.46179   123.34284  -179.55413
   21    20 S   HC   _HA2    21     1.09738   109.33424   -10.09128
   22    20 S   C    _C2_    22     1.53454   108.46656  -125.70134
   23    22 S   O    _O2_    23     1.23020   122.18290  -146.43778
   24    20 S   CT   _CB2    32     1.53413   111.59257   111.88560
   25    24 S   HC   HB21    33     1.09595   110.08863    55.98128
   26    24 S   HC   HB22    34     1.09502   110.08957   175.00754
   27    22 S   N    _N3_    24     1.38487   113.42757    40.95094
   28    27 S   H    _HN3    25     1.01522   118.93264    -0.73728
   29    24 S   S    _SG2    35     1.82714   111.90173   -65.01626
   30    27 S   CT   _CA3    26     1.45465   123.54558   175.14356
   31    30 S   HC   HA31    27     1.09516   109.36849    21.70356
   32    30 S   HC   HA32    28     1.09500   107.08365   138.72797
   33    29 S   CT   _C9_    36     1.83705    99.08568   175.18248
   34    33 S   HC   _H7_    37     1.09589   104.87397   -60.00586
   35    30 S   CO3  _C3_    29     1.52922   113.04586  -101.86834
   36    35 S   O2Z  _O31    30     1.26408   115.38082   -44.75458
   37    35 S   O2Z  _O32    31     1.26351   114.99946   136.17196
   38    33 S   CT   _C8_    38     1.54265   113.43245  -176.90054
   39    38 S   HC   _H6_    39     1.09691   106.95874   167.20033
   40    38 S   CT   _C7_    40     1.53476   110.89775   -74.23279
   41    40 S   HC   _H5_    41     1.09700   110.66570    68.05922
   42    38 S   OH   _O34    63     1.42205   111.15576    50.19057
   43    42 S   HO   _H11    64     0.97289   107.99728    52.08316
   44    40 S   CT   _C6_    42     1.53811   110.29614   -52.59588
   45    44 S   HC   _H4_    43     1.09571   109.76662   -67.85389
   46    40 S   NP   _N4_    53     1.53775   113.59821  -174.94243
   47    46 S   H    _H12    54     1.03029   104.48128   161.03749
   48    44 S   CT   _C5_    44     1.53466   110.63530    52.23419
   49    48 S   HC   _H3_    45     1.09671   110.26943    67.78882
   50    44 S   OH   _O35    51     1.42613   109.50070   174.37305
   51    50 S   HO   _H19    52     0.97313   108.32953   -68.70644
   52    46 S   CT   _C10    55     1.50787   113.26305   -85.54129
   53    52 S   HC   _H13    56     1.09131   109.24046    70.79930
   54    52 S   HC   _H14    57     1.09361   107.76836  -169.16778
   55    52 S   HC   _H15    58     1.09291   108.40965   -50.72390
   56    46 S   CT   _C11    59     1.50488   116.48276    45.14104
   57    56 S   HC   _H16    60     1.09269   109.00192   -71.45157
   58    56 S   HC   _H17    61     1.09134   108.94820    50.23101
   59    56 S   HC   _H18    62     1.09365   107.71664   168.89438
   60    33 S   OS   _O33    46     1.43253   113.47445    56.07725
   61    48 S   CT   _C4_    47     1.52631   111.43722  -173.62757
   62    61 S   HC   _H8_    48     1.09562   110.93356    61.08059
   63    61 S   HC   _H9_    49     1.09399   111.68264   -60.41245
   64    61 S   HC   _H10    50     1.09560   110.25629   178.95003
  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   8   5   4   3
  13   6   2   1   1  14   7  21   9   4   1  14   7  11   8   8
   6   3   1   7   3   2   1   3   2   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    60    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    60    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    60    61    46    42    43  
   38    39    40    48    60    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    60    50    46    47    52    56    42    43  
   40    41    44    60    46    42    43  
   41    44    45    48    49    60    61    50    51    46    47    52    53    54    55    56    57    58    59    42    43  
   44    45    48    50    46    47    52    56    42  
   43    44    46    60  
    0  
   45    48    49    60    61    62    63    64    50    51    46    47    52    56  
   48    49    60    61    50    51    46  
   47    52    53    54    55    56    57    58    59    48    50  
   52    53    54    55    56    57    58    59  
   49    60    61    62    63    64    50    51  
   60    61    62    63    64    50  
   51    60    61  
    0  
   53    54    55    56    57    58    59  
   54    55    56  
   55    56  
   56  
   57    58    59  
   58    59  
   59  
    0  
   61    62    63    64  
   62    63    64  
   63    64  
   64  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.6450   1.4500   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   47   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   268.000  1.529
   33    60   320.000  1.410
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   367.000  1.471
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    50   320.000  1.410
   48    49   340.000  1.090
   48    60   320.000  1.410
   48    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   50    51   553.000  0.945
   46    47   434.000  1.010
   46    52   367.000  1.471
   46    56   367.000  1.471
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   42    43   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    75.00000  111.63000
   29    33    60    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    60    48    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    80.00000  111.20000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    48    58.35000  112.70000
   40    44    50    50.00000  109.50000
   40    46    47    35.00000  109.50000
   40    46    52    75.00000  113.01200
   40    46    56    75.00000  113.01200
   44    40    41    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    60    50.00000  109.50000
   44    48    61    58.35000  112.70000
   44    50    51    55.00000  108.50000
   48    44    45    37.50000  110.70000
   48    61    62    37.50000  110.70000
   48    61    63    37.50000  110.70000
   48    61    64    37.50000  110.70000
   60    33    34    35.00000  109.50000
   60    33    38    50.00000  109.50000
   60    48    49    35.00000  109.50000
   61    48    49    37.50000  110.70000
   61    48    60    50.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   50    44    45    35.00000  109.50000
   50    44    48    50.00000  109.50000
   46    40    41    35.00000  109.50000
   46    40    44    80.00000  111.20000
   46    52    53    35.00000  109.50000
   46    52    54    35.00000  109.50000
   46    52    55    35.00000  109.50000
   46    56    57    35.00000  109.50000
   46    56    58    35.00000  109.50000
   46    56    59    35.00000  109.50000
   52    46    47    35.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   56    46    47    35.00000  109.50000
   56    46    52    75.00000  113.01200
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    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   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    60   0.13850  1.0 1.0
   24    29    33    60  -1.34450 -1.0 2.0
   24    29    33    60   0.57400  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   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    60    48   0.14700  1.0 1.0
   29    33    60    48  -1.16150 -1.0 2.0
   29    33    60    48   0.48700  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   1.36600  1.0 1.0
   33    38    40    46  -0.11450 -1.0 2.0
   33    38    40    46   0.24250  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    60    48   0.37050  1.0 3.0
   38    33    60    48   0.06250  1.0 1.0
   38    33    60    48  -0.01100 -1.0 2.0
   38    33    60    48   0.28050  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    48   0.56750  1.0 1.0
   38    40   -44    48  -0.07550 -1.0 2.0
   38    40   -44    48   0.20000  1.0 3.0
   38    40    44    50   0.86500  1.0 1.0
   38    40    44    50  -0.17500 -1.0 2.0
   38    40    44    50   0.20800  1.0 3.0
   38    40    46    47   0.17350  1.0 3.0
   38    40    46    52   0.47100  1.0 1.0
   38    40    46    56   0.47100  1.0 1.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.19200  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    48    49   0.15000  1.0 3.0
   40    44    48    60   0.62750  1.0 1.0
   40    44    48    60  -0.30950 -1.0 2.0
   40    44    48    60   0.27300  1.0 3.0
   40    44    48    61   0.56750  1.0 1.0
   40    44    48    61  -0.07550 -1.0 2.0
   40    44    48    61   0.20000  1.0 3.0
   40    44    50    51  -0.11600  1.0 1.0
   40    44    50    51  -0.09450 -1.0 2.0
   40    44    50    51   0.21250  1.0 3.0
   40    46    52    53   0.15000  1.0 3.0
   40    46    52    54   0.15000  1.0 3.0
   40    46    52    55   0.15000  1.0 3.0
   40    46    56    57   0.15000  1.0 3.0
   40    46    56    58   0.15000  1.0 3.0
   40    46    56    59   0.15000  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    48   0.15000  1.0 3.0
   41    40    44    50   0.23400  1.0 3.0
   41    40    46    47   0.13050  1.0 3.0
   41    40    46    52   0.15000  1.0 3.0
   41    40    46    56   0.15000  1.0 3.0
   44    40    46    47   0.17350  1.0 3.0
   44    40    46    52   0.47100  1.0 1.0
   44    40    46    56   0.47100  1.0 1.0
   44    48   -60    33   0.06250  1.0 1.0
   44    48   -60    33  -0.01100 -1.0 2.0
   44    48   -60    33   0.28050  1.0 3.0
   44    48    61    62   0.15000  1.0 3.0
   44    48    61    63   0.15000  1.0 3.0
   44    48    61    64   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    60   0.23400  1.0 3.0
   45    44    48    61   0.15000  1.0 3.0
   45    44    50    51   0.19450  1.0 3.0
   48    44    50    51  -0.11600  1.0 1.0
   48    44    50    51  -0.09450 -1.0 2.0
   48    44    50    51   0.21250  1.0 3.0
   49    48    60    33   0.37050  1.0 3.0
   49    48    61    62   0.15000  1.0 3.0
   49    48    61    63   0.15000  1.0 3.0
   49    48    61    64   0.15000  1.0 3.0
   60    33    38    39   0.23400  1.0 3.0
   60    33   -38    40   0.62750  1.0 1.0
   60    33   -38    40  -0.30950 -1.0 2.0
   60    33   -38    40   0.27300  1.0 3.0
   60    33    38    42   3.69350  1.0 1.0
   60    33    38    42  -1.82950 -1.0 2.0
   60    48    61    62   0.23400  1.0 3.0
   60    48    61    63   0.23400  1.0 3.0
   60    48    61    64   0.23400  1.0 3.0
   61    48    60    33   0.06250  1.0 1.0
   61    48    60    33  -0.01100 -1.0 2.0
   61    48    60    33   0.28050  1.0 3.0
   50    44    48    49   0.23400  1.0 3.0
   50    44    48    60   3.69350  1.0 1.0
   50    44    48    60  -1.82950 -1.0 2.0
   50    44    48    61   0.86500  1.0 1.0
   50    44    48    61  -0.17500 -1.0 2.0
   50    44    48    61   0.20800  1.0 3.0
   46    40    44    45   0.19200  1.0 3.0
   46    40    44    48   1.36600  1.0 1.0
   46    40    44    48  -0.11450 -1.0 2.0
   46    40    44    48   0.24250  1.0 3.0
   46    40    44    50   1.69300  1.0 1.0
   46    40    44    50  -0.48450 -1.0 2.0
   47    46    52    53   0.13050  1.0 3.0
   47    46    52    54   0.13050  1.0 3.0
   47    46    52    55   0.13050  1.0 3.0
   47    46    56    57   0.13050  1.0 3.0
   47    46    56    58   0.13050  1.0 3.0
   47    46    56    59   0.13050  1.0 3.0
   52    46    56    57   0.15000  1.0 3.0
   52    46    56    58   0.15000  1.0 3.0
   52    46    56    59   0.15000  1.0 3.0
   56    46    52    53   0.15000  1.0 3.0
   56    46    52    54   0.15000  1.0 3.0
   56    46    52    55   0.15000  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   1.69300  1.0 1.0
   42    38    40    46  -0.48450 -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
END
