* LIGAND DATABASE FILE (OPLS2005)
*
001      57    58    101    161     299
    1     0 S   NP   _N1_     1    28.77334    95.30007   -24.60399
    2     1 S   H    _HN1     2     1.02827    30.48738   178.97283
    3     1 S   H    _H1_     3     1.02789   113.62052   -95.72387
    4     1 S   H    _H2_     4     1.02948    77.03394     8.89232
    5     1 S   CT   _CA1     5     1.50119   127.83962   114.80443
    6     5 S   HC   _HA1     6     1.09572   105.17947    88.48065
    7     5 S   CO3  _C1_     7     1.53782   112.48174   -31.74476
    8     7 S   O2Z  _O11     8     1.26375   115.00466   -42.03333
    9     7 S   O2Z  _O12     9     1.26239   114.94798   137.06239
   10     5 S   CT   _CB1    10     1.53072   107.41574  -153.52744
   11    10 S   HC   HB11    11     1.09836   109.36174   -49.45223
   12    10 S   HC   HB12    12     1.09811   110.45395    67.15524
   13    10 S   CT   _CG1    13     1.53000   112.61941  -170.40706
   14    13 S   HC   HG11    14     1.09575   110.67722   -66.35866
   15    13 S   HC   HG12    15     1.09671   109.74381    52.88108
   16    13 S   C    _CD1    16     1.51803   112.14148   173.35380
   17    16 S   O    _OE1    17     1.22740   123.25306     9.32601
   18    16 S   N    _N2_    18     1.38654   111.73764  -170.76392
   19    18 S   H    _HN2    19     1.01578   118.93972     1.54256
   20    18 S   CT1  _CA2    20     1.46199   123.38177   177.06135
   21    20 S   HC   _HA2    21     1.09735   109.33990     5.19343
   22    20 S   C    _C2_    22     1.53603   108.70323  -110.32451
   23    22 S   O    _O2_    23     1.23070   122.23684  -147.96313
   24    20 S   CT   _CB2    32     1.53350   111.62731   127.21577
   25    24 S   HC   HB21    33     1.09521   109.86756    56.43621
   26    24 S   HC   HB22    34     1.09514   110.12078   175.52889
   27    22 S   N    _N3_    24     1.38313   113.78918    39.47414
   28    27 S   H    _HN3    25     1.01567   119.61660    -3.18672
   29    24 S   S    _SG2    35     1.82676   111.55559   -64.50392
   30    27 S   CT   _CA3    26     1.45288   123.24689   177.20929
   31    30 S   HC   HA31    27     1.09548   107.50377   -64.90580
   32    30 S   HC   HA32    28     1.09556   108.00001    51.54476
   33    29 S   CT   _C13    36     1.83981    99.85043  -171.38046
   34    33 S   HC   _H3_    37     1.09796   106.63640    57.51581
   35    30 S   CO3  _C3_    29     1.52971   114.05835   173.55120
   36    35 S   O2Z  _O31    30     1.26379   116.07039    -0.51889
   37    35 S   O2Z  _O32    31     1.26426   114.41634   179.54158
   38    33 S   CM   _C11    38     1.50865   108.87417   171.64652
   39    38 S   HC   _H20    39     1.08710   119.63046   -27.93723
   40    33 S   CT   _C12    51     1.55012   113.52107   -62.73386
   41    40 S   HC   _H21    52     1.09563   107.98268    72.30491
   42    38 S   CM   _C10    40     1.34029   121.87888   154.71346
   43    42 S   HC   _H19    41     1.08484   120.61893   178.25706
   44    40 S   OH   _O14    53     1.42926   110.61087   -45.77680
   45    44 S   HO   _H23    54     0.97310   107.96661   179.19814
   46    42 S   CA   _C7_    42     1.46693   120.50581     0.87982
   47    46 S   CA   _C5_    43     1.40377   119.45594   164.77046
   48    47 S   HA   _H17    44     1.08799   120.57670    -0.10468
   49    47 S   CA   _C4_    45     1.39622   120.64624  -179.65001
   50    49 S   HA   _H16    46     1.08653   119.87568   179.69226
   51    49 S   CA   _C6_    47     1.39107   120.10428    -0.60749
   52    51 S   HA   _H18    48     1.08679   119.52885  -179.29501
   53    51 S   CA   _C9_    49     1.39769   118.95846    -0.13706
   54    46 S   CA   _C8_    50     1.41067   120.29640   -15.43611
   55    53 S   NO2  _N11    55     1.44577   116.87371  -178.08541
   56    55 S   ON   _O33    56     1.23735   117.00854   -64.76901
   57    55 S   ON   _O13    57     1.23785   117.03731   114.82515
  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
  12   7   2   1   1   9   4  10   5   7   3   4   1   8   7   4
   6   3   6   3   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    54    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    53    54    40    41    44    45  
   38    39    42    54    40    41    44  
   36    37  
   37  
    0  
   39    42    43    46    47    54    40    41    44  
   42    43    46    40  
   41    44    45    55    42    46    47    51    53    54  
   44    45    46    53    54  
   43    46    47    48    49    53    54  
   46    47    54  
   45    46    53    54  
   54  
   47    48    49    50    51    53    54    55  
   48    49    50    51    52    53    54  
   49    50    51    54  
   50    51    52    53    54    55  
   51    52    53  
   52    53    54    55    56    57  
   53    54    55  
   54    55    56    57  
   55    56    57  
   56    57  
   57  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   56   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   57   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    46   320.000  1.460
   46    47   469.000  1.400
   46    54   469.000  1.400
   47    48   367.000  1.080
   47    49   469.000  1.400
   49    50   367.000  1.080
   49    51   469.000  1.400
   51    52   367.000  1.080
   51    53   469.000  1.400
   53    54   469.000  1.400
   53    55   400.000  1.460
   54    40   317.000  1.510
   40    41   340.000  1.090
   40    44   320.000  1.410
   44    45   553.000  0.945
   55    56   550.000  1.225
   55    57   550.000  1.225
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  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    54    70.00000  112.17500
   33    40    41    37.50000  110.70000
   33    40    44    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    60.00000  123.20500
   42    38    39    35.00000  120.00000
   42    46    47    60.00000  120.93500
   42    46    54    60.00000  120.93500
   46    42    43    40.00000  117.26300
   46    47    48    35.00000  120.00000
   46    47    49    63.00000  120.00000
   46    54    53    63.00000  120.00000
   46    54    40    70.00000  120.00000
   47    49    50    35.00000  120.00000
   47    49    51    63.00000  120.00000
   49    47    48    35.00000  120.00000
   49    51    52    35.00000  120.00000
   49    51    53    63.00000  120.00000
   51    49    50    35.00000  120.00000
   51    53    54    63.00000  120.00000
   51    53    55    85.00000  120.00000
   53    51    52    35.00000  120.00000
   53    54    40    70.00000  120.00000
   53    55    56    80.00000  117.50000
   53    55    57    80.00000  117.50000
   54    46    47    63.00000  120.00000
   54    40    41    35.00000  109.50000
   54    40    44    90.00000  112.51600
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    44    45    55.00000  108.50000
   44    40    41    35.00000  109.50000
   55    53    54    85.00000  120.00000
   57    55    56    80.00000  125.30000
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  -0.62250  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   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    54   0.56750  1.0 1.0
   29    33    40    54  -0.07550 -1.0 2.0
   29    33    40    54   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    40    44    45  -0.11600  1.0 1.0
   33    40    44    45  -0.09450 -1.0 2.0
   33    40    44    45   0.21250  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    54   0.43200  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44   0.23400  1.0 3.0
   38    33    40    54   0.21200  1.0 1.0
   38    33    40    54   0.16900 -1.0 2.0
   38    33    40    54  -1.15100  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   1.05650  1.0 1.0
   38    33    40    44   0.15600 -1.0 2.0
   38    33    40    44   0.53150  1.0 3.0
   38    42    46    47   0.15800  1.0 1.0
   38    42    46    47   1.85350 -1.0 2.0
   38    42    46    47  -0.48700  1.0 3.0
   38    42   -46    54   0.15800  1.0 1.0
   38    42   -46    54   1.85350 -1.0 2.0
   38    42   -46    54  -0.48700  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   42    46    47    48   3.62500 -1.0 2.0
   42    46    47    49   3.62500 -1.0 2.0
   42    46    54    53   3.62500 -1.0 2.0
   42    46    54    40   3.62500 -1.0 2.0
   43    42    46    47   0.56550  1.0 3.0
   43    42    46    54   0.56550  1.0 3.0
   46    47    49    50   3.62500 -1.0 2.0
   46    47    49    51   3.62500 -1.0 2.0
   46    54   -40    33   0.04150 -1.0 2.0
   46    54    40    41   0.00000  1.0 1.0
   46    54    40    44   0.14300 -1.0 2.0
   46    54    40    44   0.00300  1.0 3.0
   47    46    54    53   3.62500 -1.0 2.0
   47    46    54    40   3.62500 -1.0 2.0
   47    49    51    52   3.62500 -1.0 2.0
   47    49   -51    53   3.62500 -1.0 2.0
   48    47    49    50   3.62500 -1.0 2.0
   48    47    49    51   3.62500 -1.0 2.0
   49    51    53    54   3.62500 -1.0 2.0
   49    51    53    55   3.62500 -1.0 2.0
   50    49    51    52   3.62500 -1.0 2.0
   50    49    51    53   3.62500 -1.0 2.0
   51    53   -54    46   3.62500 -1.0 2.0
   51    53    54    40   3.62500 -1.0 2.0
   51    53    55    56   0.69950 -1.0 2.0
   51    53    55    57   0.69950 -1.0 2.0
   52    51    53    54   3.62500 -1.0 2.0
   52    51    53    55   3.62500 -1.0 2.0
   53    54    40    33   0.04150 -1.0 2.0
   53    54    40    41   0.00000  1.0 1.0
   53    54    40    44   0.14300 -1.0 2.0
   53    54    40    44   0.00300  1.0 3.0
   54    46    47    48   3.62500 -1.0 2.0
   54    46   -47    49   3.62500 -1.0 2.0
   54    53    55    56   0.69950 -1.0 2.0
   54    53    55    57   0.69950 -1.0 2.0
   54    40    44    45   0.31900  1.0 1.0
   54    40    44    45  -0.11800 -1.0 2.0
   54    40    44    45   0.38750  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33   -38    42   0.09850  1.0 1.0
   40    33   -38    42   0.15250 -1.0 2.0
   40    33   -38    42  -0.50650  1.0 3.0
   41    40    44    45   0.19450  1.0 3.0
   55    53    54    46   3.62500 -1.0 2.0
   55    53    54    40   3.62500 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   47    54    46    42   4.00000 -1.0 2.0
   49    48    47    46   1.10000 -1.0 2.0
   51    50    49    47   1.10000 -1.0 2.0
   53    52    51    49   1.10000 -1.0 2.0
   54    55    53    51   4.00000 -1.0 2.0
   53    40    54    46   4.00000 -1.0 2.0
   57    53    55    56  10.50000 -1.0 2.0
END
