* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    129    206     371
    1     0 S   NP   _N1_     1    29.33873    92.52849   -18.15142
    2     1 S   H    _HN1     2     1.02894   108.88497     4.41561
    3     1 S   H    _H1_     3     1.02938    40.42751    99.28127
    4     1 S   H    _H2_     4     1.02787    69.11473   -98.41608
    5     1 S   CT   _CA1     5     1.50516   136.71914   161.14313
    6     5 S   HC   _HA1     6     1.09700   104.70564    25.42368
    7     5 S   CO3  _C1_     7     1.54375   110.66391   -90.55564
    8     7 S   O2Z  _O11     8     1.26048   116.77876  -111.73885
    9     7 S   O2Z  _O12     9     1.26562   113.64597    66.92339
   10     5 S   CT   _CB1    10     1.52996   106.90731   141.20800
   11    10 S   HC   HB11    11     1.09829   109.77552   -45.27131
   12    10 S   HC   HB12    12     1.09803   110.21126    71.28448
   13    10 S   CT   _CG1    13     1.53052   112.50090  -166.12711
   14    13 S   HC   HG11    14     1.09407   110.21259   -55.40029
   15    13 S   HC   HG12    15     1.09577   110.46070    63.74275
   16    13 S   C    _CD1    16     1.51715   111.33383  -176.37150
   17    16 S   O    _OE1    17     1.22795   122.80068   -26.08068
   18    16 S   N    _N2_    18     1.38532   112.17331   154.34491
   19    18 S   H    _HN2    19     1.01560   119.29187     3.59096
   20    18 S   CT1  _CA2    20     1.46301   123.09076  -171.15644
   21    20 S   HC   _HA2    21     1.09688   109.38745   -12.53523
   22    20 S   C    _C2_    22     1.53308   108.76406  -129.11309
   23    22 S   O    _O2_    23     1.23034   122.08306  -149.52162
   24    20 S   CT   _CB2    32     1.53939   111.10345   109.09473
   25    24 S   HC   HB21    33     1.09314   108.09337    64.12442
   26    24 S   HC   HB22    34     1.09464   110.39948  -177.37259
   27    22 S   N    _N3_    24     1.38452   113.56456    37.48120
   28    27 S   H    _HN3    25     1.01541   118.81405     0.14127
   29    24 S   S    _SG2    35     1.82704   111.18637   -56.15541
   30    27 S   CT   _CA3    26     1.45410   123.43428   175.95775
   31    30 S   HC   HA31    27     1.09530   109.16523    25.59044
   32    30 S   HC   HA32    28     1.09498   107.12620   142.53014
   33    29 S   CT   _C6_    36     1.90470   103.31619   177.02408
   34    30 S   CO3  _C3_    29     1.52898   113.14054   -97.87335
   35    34 S   O2Z  _O31    30     1.26397   115.39672   -45.37934
   36    34 S   O2Z  _O32    31     1.26353   114.97837   135.57036
   37    33 S   CM   _C11    37     1.55223   104.05207  -162.82503
   38    33 S   CM   _C5_    69     1.52906   105.11644    79.60294
   39    38 S   HC   _H7_    70     1.09086   116.12756    53.71371
   40    37 S   N4   _N4_    38     1.36536   117.91268    85.45651
   41    37 S   CMA  _C12    66     1.52869   121.43257   -83.74741
   42    41 S   OM   _O34    67     1.26379   119.56723  -102.46119
   43    41 S   OM   _O35    68     1.26303   121.65612    78.07966
   44    38 S   CM   _C4_    71     1.34017   128.14063  -126.27201
   45    44 S   HC   _H5_    72     1.08536   119.83661  -179.85598
   46    44 S   HC   _H6_    73     1.08266   123.00518    -0.21850
   47    40 S   C4   _C10    39     1.35210   137.68951  -155.77545
   48    47 S   O    _O33    40     1.20873   134.63874     2.38778
   49    40 S   C4T  _C8_    43     1.45185   124.68105    39.22745
   50    49 S   HC   _H3_    44     1.09820   111.78540    70.67816
   51    47 S   C4T  _C9_    41     1.56286    89.57696   179.16678
   52    51 S   HC   _H4_    42     1.09660   112.32514   125.76068
   53    49 S   S    _S1_    45     1.80276   111.10136   -56.70255
   54    33 S   CT   _C7_    46     1.55593   111.69378   -42.31210
   55    54 S   HC   _H8_    47     1.09445   112.25938    61.28615
   56    54 S   HC   _H9_    48     1.09811   109.84163   178.49338
   57    51 S   N    _N5_    49     1.48070   114.30056  -106.16937
   58    57 S   H    _H10    50     1.02107   120.00230     4.50259
   59    57 S   C    _C13    51     1.38056   121.86963  -175.56120
   60    59 S   O    _O36    52     1.22180   128.04565    -0.36691
   61    59 S   CD   _C14    53     1.50587   113.48440   179.93147
   62    61 S   C5B  _C15    54     1.45367   120.04656    85.61225
   63    61 S   NI   _N6_    63     1.29840   121.50798   -95.00844
   64    62 S   C5A  _C16    55     1.38221   125.50906  -178.22767
   65    64 S   HA   _H12    56     1.08118   128.74521    -0.07402
   66    63 S   OH   _O37    64     1.39776   111.57490     0.75459
   67    66 S   HO   _H11    65     0.97271   101.66011   177.01286
   68    64 S   SA   _S2_    57     1.71155   110.21485   179.52853
   69    68 S   CRA  _C17    58     1.72229    89.89514    -0.10087
   70    62 S   N5B  _N7_    59     1.38695   120.24675     1.40514
   71    69 S   NE   _N8_    60     1.34677   120.50836  -179.16655
   72    71 S   H    _H13    61     1.01466   121.30260  -179.09129
   73    71 S   H    _H14    62     1.01435   122.15975    -1.13935
  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  11   5   4   3
  16   2   1   1  16  10   4  12   5   1   1   3   1   1   9   4
  10   5   8   4   4   2   1   1   6   3   7   3   9   8   4   5
   3   1   1   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    53    54    55    56    41    38    39    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    47    49    53    54    55    56    41    42    43    38    39    44    45    46  
   35    36  
   36  
    0  
   40    47    48    51    49    50    53    54    55    56    41    42    43    38    39    44  
   39    44    45    46    40    41    53    54    55    56  
   44    45    46    54  
   47    48    51    52    49    50    53    54    57    41    42    43  
   42    43    47    49    54  
   43  
    0  
   45    46    54  
   46  
    0  
   48    51    52    49    50    53    57    58    59  
   51    52    49    57  
   50    53    54    55    56    57    58    59    51    52  
   53    54    57    51    52  
   52    53    54    57    58    59    60    61  
   53    57    58    59  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    60    61    62    63  
   59    60    61  
   60    61    62    64    70    63    66  
   61    62    63  
   62    64    65    68    69    70    63    66    67  
   64    65    68    69    70    71    63    66  
   66    67    64    70  
   65    68    69    70    71  
   68    69    70  
   67  
    0  
   69    70    71    72    73  
   70    71    72    73  
   71    72    73  
   72    73  
   73  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   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   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   41   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   49   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   54   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   58   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   59   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   61   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   63   3.2800   0.1700  -0.396200   1.8540   1.6400   0.005000000   0.000000000
   64   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   66   2.9000   0.1400  -0.383600   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.390100   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   69   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   70   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   71   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   72   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   73   0.5000   0.0300   0.360000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    54   268.000  1.529
   33    38   317.000  1.510
   37    40   400.000  1.384
   37    41   465.000  1.376
   40    47   440.000  1.369
   40    49   305.000  1.456
   47    48   930.000  1.212
   47    51   250.000  1.540
   51    52   340.000  1.090
   51    49   268.000  1.529
   51    57   337.000  1.449
   49    50   340.000  1.090
   49    53   200.000  1.824
   53    54   222.000  1.810
   54    55   340.000  1.090
   54    56   340.000  1.090
   57    58   434.000  1.010
   57    59   490.000  1.335
   59    60   570.000  1.229
   59    61   270.000  1.486
   61    62   305.000  1.466
   61    63   500.000  1.261
   62    64   520.000  1.370
   62    70   410.000  1.394
   64    65   367.000  1.080
   64    68   265.000  1.745
   68    69   250.000  1.765
   69    70   488.000  1.335
   69    71   420.000  1.385
   71    72   434.000  1.010
   71    73   434.000  1.010
   63    66   285.000  1.423
   66    67   553.000  0.945
   41    42   745.000  1.250
   41    43   745.000  1.250
   38    39   340.000  1.080
   38    44   549.000  1.340
   44    45   340.000  1.080
   44    46   340.000  1.080
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    54    75.00000  111.63000
   29    33    38    75.00000  112.20000
   33    37    40    70.00000  113.82800
   33    37    41    70.00000  124.00000
   33    54    53    75.00000  111.63000
   33    54    55    37.50000  110.70000
   33    54    56    37.50000  110.70000
   33    38    39    35.00000  117.00000
   33    38    44    70.00000  124.00000
   37    40    47    50.00000  132.10000
   37    40    49    50.00000  132.70000
   37    41    42    65.00000  137.10300
   37    41    43    65.00000  137.10300
   40    47    48    75.00000  131.60000
   40    47    51    95.00000   92.72400
   40    49    51   105.00000   87.49700
   40    49    50    50.00000  112.01000
   40    49    53    80.00000  108.62000
   47    51    52    40.00000  113.37500
   47    51    49   100.00000   86.36000
   47    51    57    75.00000  110.24000
   51    47    48    60.00000  136.58000
   51    49    50    37.50000  110.70000
   51    49    53    65.00000  119.05700
   51    57    58    38.00000  118.40000
   51    57    59    50.00000  121.90000
   49    40    47   100.00000   93.00000
   49    51    52    37.50000  110.70000
   49    53    54    85.00000   99.86700
   53    49    50    45.00000  109.41400
   53    54    55    35.00000  109.50000
   53    54    56    35.00000  109.50000
   54    33    37    70.00000  112.02700
   56    54    55    33.00000  107.80000
   57    51    52    50.00000  112.01000
   57    51    49    80.00000  110.05700
   57    59    60    80.00000  122.90000
   57    59    61    75.00000  109.57000
   59    57    58    35.00000  119.80000
   59    61    62    75.00000  114.44000
   59    61    63    65.00000  123.79500
   61    59    60    80.00000  120.45000
   61    62    64    60.00000  121.09900
   61    62    70    60.00000  126.00000
   61    63    66   110.00000  106.87200
   62    64    65    35.00000  130.70000
   62    64    68    80.00000  111.29200
   62    70    69    70.00000  110.00000
   64    68    69   120.00000   89.04400
   68    64    65    40.00000  122.38200
   68    69    70    80.00000  114.57700
   68    69    71    70.00000  122.29500
   69    71    72    35.00000  113.50000
   69    71    73    35.00000  113.50000
   70    62    64    70.00000  111.00000
   71    69    70    75.00000  125.31200
   73    71    72    35.00000  109.00000
   63    61    62    65.00000  124.33800
   63    66    67    80.00000  101.76000
   41    37    40    75.00000  120.83300
   43    41    42    65.00000  121.00000
   38    33    37    70.00000  110.12100
   38    33    54    70.00000  112.02700
   38    44    45    35.00000  120.00000
   38    44    46    35.00000  120.00000
   44    38    39    35.00000  120.00000
   46    44    45    35.00000  117.00000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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
   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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.09700  1.0 1.0
   29    33    37    40   0.15600 -1.0 2.0
   29    33    37    40  -0.50800  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    54    53   0.56750  1.0 1.0
   29    33    54    53  -0.07550 -1.0 2.0
   29    33    54    53   0.20000  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    56   0.15000  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    44   0.42700  1.0 1.0
   29    33    38    44  -0.70350 -1.0 2.0
   29    33    38    44  -0.43150  1.0 3.0
   33    37    40    47   0.00000  1.0 1.0
   33    37    40    49   0.00000  1.0 1.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    43   7.00000 -1.0 2.0
   33    38    44    45   7.00000 -1.0 2.0
   33    38    44    46   7.00000 -1.0 2.0
   37    33    54    53   0.56750  1.0 1.0
   37    33    54    53  -0.07550 -1.0 2.0
   37    33    54    53   0.20000  1.0 3.0
   37    33    54    55   0.15000  1.0 3.0
   37    33    54    56   0.15000  1.0 3.0
   37    33    38    39   0.00000  1.0 1.0
   37    33    38    44  -0.28300  1.0 1.0
   37    33    38    44   0.26700 -1.0 2.0
   37    33    38    44  -0.63300  1.0 3.0
   37    40    47    48   3.00000 -1.0 2.0
   37    40    47    51   3.00000 -1.0 2.0
   37    40   -49    51   0.00000  1.0 1.0
   37    40    49    50   0.00000  1.0 1.0
   37    40   -49    53   0.00000  1.0 1.0
   40    37    41    42   7.00000 -1.0 2.0
   40    37    41    43   7.00000 -1.0 2.0
   40    47    51    52   0.00000  1.0 1.0
   40    47   -51    49   3.00000 -1.0 2.0
   40    47    51    57   0.00000  1.0 1.0
   40    49    53    54   0.01700  1.0 1.0
   40    49    53    54  -0.23550 -1.0 2.0
   40    49    53    54   0.21350  1.0 3.0
   47    40   -49    51   0.00000  1.0 1.0
   47    40    49    50   0.00000  1.0 1.0
   47    40    49    53   0.00000  1.0 1.0
   47    51   -49    40   3.00000 -1.0 2.0
   47    51   -49    50   0.15000  1.0 3.0
   47    51   -49    53   0.00000  1.0 1.0
   47    51    57    58   0.00000  1.0 1.0
   47    51    57    59  -0.42300  1.0 1.0
   47    51    57    59  -0.07000 -1.0 2.0
   47    51    57    59   0.04150  1.0 3.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    49  -0.11250  1.0 1.0
   48    47    51    49   0.11400 -1.0 2.0
   48    47    51    49  -0.28950  1.0 3.0
   48    47    51    57   0.30150 -1.0 2.0
   51    49    53    54   0.25150  1.0 1.0
   51    49    53    54  -1.17200 -1.0 2.0
   51    49    53    54   0.53050  1.0 3.0
   51    57    59    60   3.04450 -1.0 2.0
   51    57    59    61   1.49850  1.0 1.0
   51    57    59    61   1.53950 -1.0 2.0
   52    51   -49    40   0.15000  1.0 3.0
   52    51    49    50   0.15000  1.0 3.0
   52    51    49    53   0.00000  1.0 1.0
   52    51    57    58   0.00000  1.0 1.0
   52    51    57    59   0.00000  1.0 1.0
   49    40   -47    48   3.00000 -1.0 2.0
   49    40   -47    51   3.00000 -1.0 2.0
   49    51    57    58   0.00000  1.0 1.0
   49    51    57    59  -0.43950  1.0 1.0
   49    51    57    59  -0.08100 -1.0 2.0
   49    51    57    59   0.03350  1.0 3.0
   49    53   -54    33  -0.25000 -1.0 2.0
   49    53   -54    33  -0.01800  1.0 3.0
   49    53    54    55   0.32350  1.0 3.0
   49    53    54    56   0.32350  1.0 3.0
   50    49    53    54   0.00000  1.0 1.0
   54    33   -37    40  -0.93550  1.0 1.0
   54    33   -37    40   0.38900 -1.0 2.0
   54    33   -37    40   0.16950  1.0 3.0
   54    33    37    41   0.09850  1.0 1.0
   54    33    37    41   0.15250 -1.0 2.0
   54    33    37    41  -0.50650  1.0 3.0
   54    33    38    39   0.00000  1.0 1.0
   54    33    38    44   0.09850  1.0 1.0
   54    33    38    44   0.15250 -1.0 2.0
   54    33    38    44  -0.50650  1.0 3.0
   57    51   -49    40   2.20050  1.0 1.0
   57    51   -49    40   0.63450 -1.0 2.0
   57    51   -49    40  -0.91300  1.0 3.0
   57    51    49    50   0.15000  1.0 3.0
   57    51    49    53   0.00000  1.0 1.0
   57    59    61    62   1.50000 -1.0 2.0
   57    59    61    63   1.50000 -1.0 2.0
   58    57    59    60   2.45000 -1.0 2.0
   58    57    59    61   2.56700 -1.0 2.0
   59    61    62    64   0.30050 -1.0 2.0
   59    61    62    64   0.16600  1.0 3.0
   59    61    62    70   0.30050 -1.0 2.0
   59    61    62    70   0.16600  1.0 3.0
   59    61    63    66   6.00000 -1.0 2.0
   60    59    61    62   1.00000 -1.0 2.0
   60    59    61    63   1.00000 -1.0 2.0
   61    62    64    65   3.62500 -1.0 2.0
   61    62    64    68   3.62500 -1.0 2.0
   61    62    70    69   3.62500 -1.0 2.0
   61    63    66    67   1.00000 -1.0 2.0
   62    61    63    66   6.00000 -1.0 2.0
   62    64   -68    69   3.62500 -1.0 2.0
   64    62   -70    69   2.40000 -1.0 2.0
   64    68   -69    70   3.62500 -1.0 2.0
   64    68    69    71   3.62500 -1.0 2.0
   65    64    68    69   3.62500 -1.0 2.0
   68    69   -70    62   3.62500 -1.0 2.0
   68    69    71    72   0.47600 -1.0 2.0
   68    69    71    73   0.47600 -1.0 2.0
   70    62    64    65   3.62500 -1.0 2.0
   70    62   -64    68   3.62500 -1.0 2.0
   70    69    71    72   1.75000 -1.0 2.0
   70    69    71    73   1.75000 -1.0 2.0
   71    69    70    62   3.62500 -1.0 2.0
   63    61    62    64   1.02250 -1.0 2.0
   63    61    62    70   1.02250 -1.0 2.0
   41    37    40    47   0.00000  1.0 1.0
   41    37    40    49   0.00000  1.0 1.0
   38    33    37    40  -1.35150  1.0 1.0
   38    33    37    40   0.13900 -1.0 2.0
   38    33    37    40   0.25250  1.0 3.0
   38    33    37    41  -0.28300  1.0 1.0
   38    33    37    41   0.26700 -1.0 2.0
   38    33    37    41  -0.63300  1.0 3.0
   38    33    54    53   0.56750  1.0 1.0
   38    33    54    53  -0.07550 -1.0 2.0
   38    33    54    53   0.20000  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    56   0.15000  1.0 3.0
   39    38    44    45   7.00000 -1.0 2.0
   39    38    44    46   7.00000 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    41   1.10000 -1.0 2.0
   49    47    40    37   1.00000 -1.0 2.0
   40    51    47    48  10.50000 -1.0 2.0
   58    59    57    51   1.00000 -1.0 2.0
   57    61    59    60  10.50000 -1.0 2.0
   59    62    61    63  10.50000 -1.0 2.0
   64    70    62    61   4.00000 -1.0 2.0
   68    65    64    62   1.10000 -1.0 2.0
   70    71    69    68   4.00000 -1.0 2.0
   73    69    71    72   1.00000 -1.0 2.0
   42    43    41    37   1.10000 -1.0 2.0
   33    39    38    44  15.00000 -1.0 2.0
   45    46    44    38  15.00000 -1.0 2.0
END
