* LIGAND DATABASE FILE (OPLS2005)
*
001      62    62    103    158     303
    1     0 S   NP   _N1_     1    28.97160    97.04711   -25.14258
    2     1 S   H    _HN1     2     1.02825    41.22369   175.44250
    3     1 S   H    _H1_     3     1.02801   117.95967   -99.03397
    4     1 S   H    _H2_     4     1.02945    65.97233    -0.15949
    5     1 S   CT   _CA1     5     1.50127   128.07318    97.64553
    6     5 S   HC   _HA1     6     1.09573   105.14723   102.82480
    7     5 S   CO3  _C1_     7     1.53755   112.52270   -17.40842
    8     7 S   O2Z  _O11     8     1.26381   114.99758   -41.57791
    9     7 S   O2Z  _O12     9     1.26235   114.94727   137.42930
   10     5 S   CT   _CB1    10     1.53043   107.40185  -139.16736
   11    10 S   HC   HB11    11     1.09851   109.32315   -48.95933
   12    10 S   HC   HB12    12     1.09811   110.47835    67.62590
   13    10 S   CT   _CG1    13     1.53050   112.66457  -169.85999
   14    13 S   HC   HG11    14     1.09558   110.84105   -68.70318
   15    13 S   HC   HG12    15     1.09664   109.61821    50.55554
   16    13 S   C    _CD1    16     1.51805   111.69773   171.16180
   17    16 S   O    _OE1    17     1.22777   123.02622    18.34344
   18    16 S   N    _N2_    18     1.38616   111.99753  -161.64650
   19    18 S   H    _HN2    19     1.01559   119.07826     0.60523
   20    18 S   CT1  _CA2    20     1.46292   123.39648   175.75711
   21    20 S   HC   _HA2    21     1.09736   109.23290    10.23051
   22    20 S   C    _C2_    22     1.53799   108.85236  -105.28621
   23    22 S   O    _O2_    23     1.23085   122.30605  -149.29417
   24    20 S   CT   _CB2    32     1.53341   111.64396   132.26593
   25    24 S   HC   HB21    33     1.09557   109.78293    56.79256
   26    24 S   HC   HB22    34     1.09472   109.93615   175.71202
   27    22 S   N    _N3_    24     1.38331   113.93728    38.17615
   28    27 S   H    _HN3    25     1.01506   119.62229    -2.84228
   29    24 S   S    _SG2    35     1.83111   111.37809   -63.96142
   30    27 S   CT   _CA3    26     1.45265   123.36915   177.42717
   31    30 S   HC   HA31    27     1.09544   107.48559   -65.90937
   32    30 S   HC   HA32    28     1.09554   108.05051    50.58113
   33    29 S   CT   _C10    36     1.88563   100.23986  -177.14309
   34    33 S   OM   _O38    37     1.31999   106.86728    77.04518
   35    30 S   CO3  _C3_    29     1.52998   113.98940   172.61063
   36    35 S   O2Z  _O31    30     1.26397   116.09582    -0.22814
   37    35 S   O2Z  _O32    31     1.26429   114.40855   179.82754
   38    33 S   CM   _C11    38     1.52662   104.49704  -166.70647
   39    38 S   HC   _H8_    39     1.09332   115.57392   -98.16452
   40    33 S   OS   _O34    50     1.44004   108.34414   -45.11592
   41    38 S   CM   _C12    40     1.34747   130.19924    82.69680
   42    41 S   HC   _H9_    41     1.08661   115.88684   177.81322
   43    40 S   CA   _C7_    51     1.36897   124.63793  -177.98520
   44    41 S   CM   _C13    42     1.44643   127.42933    -3.34246
   45    44 S   HC   _H10    43     1.08715   116.06966    -3.44748
   46    43 S   CA   _C6_    52     1.39638   126.18813    -0.69858
   47    46 S   HA   _H5_    53     1.08441   122.08603    -0.46478
   48    44 S   CM   _C14    44     1.34054   127.64496   176.03202
   49    46 S   CA   _C5_    54     1.39895   120.46752   179.46222
   50    49 S   HA   _H4_    55     1.08655   119.68701  -179.93439
   51    48 S   CO3  _C15    45     1.55263   126.76856     0.84580
   52    51 S   O2Z  _O36    46     1.26176   116.77887    39.94605
   53    51 S   O2Z  _O35    47     1.26755   113.80749  -142.74165
   54    48 S   OH   _O37    48     1.39037   118.66757  -177.35366
   55    54 S   HO   _H11    49     0.97506   106.31519   172.23102
   56    49 S   CA   _C4_    56     1.39306   120.42485     0.00000
   57    56 S   HA   _H3_    57     1.08596   120.05562  -179.95154
   58    56 S   CA   _C9_    58     1.39174   119.80686     0.00000
   59    58 S   HA   _H6_    59     1.08590   119.47392  -179.95154
   60    43 S   CA   _C8_    60     1.40227   115.41011   178.80466
   61    60 S   OH   _O33    61     1.37152   119.01015     0.33161
   62    61 S   HO   _H7_    62     0.97166   108.73140  -178.81601
  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   7   5   4   3
  10   5   2   1   1   8   4   8   6   3  10   7   3   8   4   5
   6   3   4   2   1   1   1   5   3   4   2   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    44    40    43    46    60  
   38    39    41    40    43  
   36    37  
   37  
    0  
   39    41    42    44    45    48    40    43  
   41    42    44    40  
   43    46    47    49    58    60    61    41  
   42    44    45    48    51    54  
   44    45    48  
   46    47    49    50    56    58    59    60    61    62  
   45    48    51    52    53    54    55  
   48    51    54  
   47    49    50    56    57    58    60    61  
   49    50    56    60  
   51    52    53    54    55  
   50    56    57    58    59    60  
   56    57    58  
   52    53    54    55  
   53    54  
   54  
   55  
    0  
   57    58    59    60    61  
   58    59    60  
   59    60    61    62  
   60    61  
   61    62  
   62  
    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   0.640400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   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   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.261500   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   54   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   62   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   570.000  1.307
   33    38   317.000  1.510
   33    40   320.000  1.410
   38    39   340.000  1.080
   38    41   549.000  1.340
   41    42   340.000  1.080
   41    44   380.000  1.444
   44    45   340.000  1.080
   44    48   549.000  1.340
   48    51   230.000  1.545
   48    54   510.000  1.338
   51    52   656.000  1.250
   51    53   656.000  1.250
   54    55   553.000  0.945
   40    43   450.000  1.364
   43    46   469.000  1.400
   43    60   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    50   367.000  1.080
   49    56   469.000  1.400
   56    57   367.000  1.080
   56    58   469.000  1.400
   58    59   367.000  1.080
   58    60   469.000  1.400
   60    61   450.000  1.364
   61    62   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    75.00000  112.20000
   29    33    40    85.00000  114.68000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    43    75.00000  111.00000
   38    33    34    85.00000  110.90400
   38    41    42    35.00000  120.00000
   38    41    44    70.00000  123.01800
   41    38    39    35.00000  120.00000
   41    44    45    35.00000  120.00000
   41    44    48    70.00000  123.01800
   44    41    42    35.00000  120.00000
   44    48    51    55.00000  124.75400
   44    48    54    80.00000  121.38400
   48    44    45    35.00000  120.00000
   48    51    52    85.00000  113.83300
   48    51    53    85.00000  113.83300
   48    54    55    70.00000  107.45700
   53    51    52    80.00000  126.00000
   54    48    51    80.00000  119.00000
   40    33    34   110.00000  112.65000
   40    33    38    85.00000  110.90400
   40    43    46    70.00000  120.00000
   40    43    60    70.00000  120.00000
   43    46    47    35.00000  120.00000
   43    46    49    63.00000  120.00000
   43    60    58    63.00000  120.00000
   43    60    61    70.00000  120.00000
   46    49    50    35.00000  120.00000
   46    49    56    63.00000  120.00000
   49    46    47    35.00000  120.00000
   49    56    57    35.00000  120.00000
   49    56    58    63.00000  120.00000
   56    49    50    35.00000  120.00000
   56    58    59    35.00000  120.00000
   56    58    60    63.00000  120.00000
   58    56    57    35.00000  120.00000
   58    60    61    70.00000  120.00000
   60    43    46    63.00000  120.00000
   60    58    59    35.00000  120.00000
   60    61    62    35.00000  113.00000
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   0.13850  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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   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   0.00000  1.0 1.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    40    43   0.14700  1.0 1.0
   29    33    40    43  -1.16150 -1.0 2.0
   29    33    40    43   0.48700  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    44   7.00000 -1.0 2.0
   33    40    43    46   1.63200 -1.0 2.0
   33    40    43    60   1.63200 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    40    43  -0.25600  1.0 1.0
   34    33    40    43  -0.40050 -1.0 2.0
   34    33    40    43   0.34700  1.0 3.0
   38    33    40    43  -0.25600  1.0 1.0
   38    33    40    43  -0.40050 -1.0 2.0
   38    33    40    43   0.34700  1.0 3.0
   38    41    44    45  -0.18600  1.0 3.0
   38    41    44    48   0.28850  1.0 1.0
   38    41    44    48   2.61350 -1.0 2.0
   38    41    44    48   0.78400  1.0 3.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    44   7.00000 -1.0 2.0
   41    44    48    51   7.00000 -1.0 2.0
   41    44    48    54   7.00000 -1.0 2.0
   42    41    44    45   0.00000  1.0 1.0
   42    41    44    48  -0.18600  1.0 3.0
   44    48    51    52  -0.04000 -1.0 2.0
   44    48    51    52  -0.29050  1.0 3.0
   44    48    51    53  -0.04000 -1.0 2.0
   44    48    51    53  -0.29050  1.0 3.0
   44    48    54    55  -0.66100  1.0 1.0
   44    48    54    55   1.20850 -1.0 2.0
   44    48    54    55  -0.36000  1.0 3.0
   45    44    48    51   7.00000 -1.0 2.0
   45    44    48    54   7.00000 -1.0 2.0
   51    48    54    55   2.00000 -1.0 2.0
   54    48    51    52   1.68800 -1.0 2.0
   54    48    51    53   1.68800 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    41   0.39000  1.0 1.0
   40    33    38    41  -0.05800 -1.0 2.0
   40    33    38    41  -0.55150  1.0 3.0
   40    43    46    47   3.62500 -1.0 2.0
   40    43    46    49   3.62500 -1.0 2.0
   40    43    60    58   3.62500 -1.0 2.0
   40    43    60    61   3.62500 -1.0 2.0
   43    46    49    50   3.62500 -1.0 2.0
   43    46    49    56   3.62500 -1.0 2.0
   43    60    61    62   0.84100 -1.0 2.0
   46    43    60    58   3.62500 -1.0 2.0
   46    43    60    61   3.62500 -1.0 2.0
   46    49    56    57   3.62500 -1.0 2.0
   46    49   -56    58   3.62500 -1.0 2.0
   47    46    49    50   3.62500 -1.0 2.0
   47    46    49    56   3.62500 -1.0 2.0
   49    56    58    59   3.62500 -1.0 2.0
   49    56    58    60   3.62500 -1.0 2.0
   50    49    56    57   3.62500 -1.0 2.0
   50    49    56    58   3.62500 -1.0 2.0
   56    58   -60    43   3.62500 -1.0 2.0
   56    58    60    61   3.62500 -1.0 2.0
   57    56    58    59   3.62500 -1.0 2.0
   57    56    58    60   3.62500 -1.0 2.0
   58    60    61    62   0.84100 -1.0 2.0
   59    58    60    43   3.62500 -1.0 2.0
   59    58    60    61   3.62500 -1.0 2.0
   60    43    46    47   3.62500 -1.0 2.0
   60    43   -46    49   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
   33    39    38    41  15.00000 -1.0 2.0
   44    42    41    38  15.00000 -1.0 2.0
   41    45    44    48  15.00000 -1.0 2.0
   51    54    48    44  15.00000 -1.0 2.0
   52    48    51    53  10.50000 -1.0 2.0
   46    60    43    40   4.00000 -1.0 2.0
   49    47    46    43   1.10000 -1.0 2.0
   56    50    49    46   1.10000 -1.0 2.0
   58    57    56    49   1.10000 -1.0 2.0
   60    59    58    56   1.10000 -1.0 2.0
   58    61    60    43   4.00000 -1.0 2.0
END
