* LIGAND DATABASE FILE (OPLS2005)
*
001      64    64    109    159     314
    1     0 S   NP   _N1_     1    28.88649    95.18927   -25.57932
    2     1 S   H    _HN1     2     1.02793   119.71400  -106.86731
    3     1 S   H    _H1_     3     1.02948    80.80378    -0.90092
    4     1 S   H    _H2_     4     1.02828    26.38503  -176.08128
    5     1 S   CT   _CA1     5     1.50119   119.73865   107.43740
    6     5 S   HC   _HA1     6     1.09573   105.17809    86.79647
    7     5 S   CO3  _C1_     7     1.53780   112.43451   -33.43004
    8     7 S   O2Z  _O11     8     1.26376   115.00993   -43.25863
    9     7 S   O2Z  _O12     9     1.26236   114.94405   135.78290
   10     5 S   CT   _CB1    10     1.53066   107.40774  -155.23687
   11    10 S   HC   HB11    11     1.09838   109.36125   -49.47490
   12    10 S   HC   HB12    12     1.09811   110.46711    67.12919
   13    10 S   CT   _CG1    13     1.53006   112.61488  -170.41540
   14    13 S   HC   HG11    14     1.09576   110.69091   -66.35751
   15    13 S   HC   HG12    15     1.09670   109.73522    52.88408
   16    13 S   C    _CD1    16     1.51809   112.08394   173.36398
   17    16 S   O    _OE1    17     1.22751   123.20498     9.97311
   18    16 S   N    _N2_    18     1.38617   111.75190  -170.02275
   19    18 S   H    _HN2    19     1.01574   119.07894     1.15216
   20    18 S   CT1  _CA2    20     1.46272   123.48840   177.58394
   21    20 S   HC   _HA2    21     1.09736   109.22847     7.91579
   22    20 S   C    _C2_    22     1.53708   109.10028  -107.67902
   23    22 S   O    _O2_    23     1.23085   122.26217  -150.86783
   24    20 S   CT   _CB2    32     1.53367   111.44791   129.82434
   25    24 S   HC   HB21    33     1.09521   109.55050    57.11229
   26    24 S   HC   HB22    34     1.09434   109.87072   175.85925
   27    22 S   N    _N3_    24     1.38333   113.94038    36.72475
   28    27 S   H    _HN3    25     1.01532   119.58993    -3.41466
   29    24 S   S    _SG2    35     1.83407   111.12298   -64.24293
   30    27 S   CT   _CA3    26     1.45270   123.25497   177.14947
   31    30 S   HC   HA31    27     1.09548   107.53111   -64.35231
   32    30 S   HC   HA32    28     1.09557   107.97469    52.09843
   33    29 S   CT   _C13    36     1.88061   100.90268   173.75675
   34    33 S   OM   _O34    37     1.31217   108.30440   -66.86923
   35    30 S   CO3  _C3_    29     1.52967   114.05670   174.09097
   36    35 S   O2Z  _O31    30     1.26381   116.08632    -0.18452
   37    35 S   O2Z  _O32    31     1.26426   114.41394   179.86730
   38    33 S   CM   _C12    38     1.57561   109.08240    60.52910
   39    33 S   S    _S1_    60     1.89113   108.41466   175.14994
   40    38 S   CMA  _C11    39     1.38103   131.77590  -130.04443
   41    40 S   OM   _O35    40     1.27339   126.33024   178.42878
   42    38 S   NE   _N4_    57     1.39675   111.92196    50.06582
   43    42 S   H    _H12    58     1.01264   118.44195   179.35654
   44    42 S   H    _H13    59     1.01126   119.40568     0.77025
   45    39 S   CT   _C14    61     1.81651   102.22271    64.41099
   46    45 S   HC   _H9_    62     1.09391   108.27506  -178.91574
   47    45 S   HC   _H10    63     1.09275   111.31173    62.89764
   48    45 S   HC   _H11    64     1.09209   111.53555   -60.55680
   49    40 S   CA   _C9_    41     1.49817   117.89165    -1.72317
   50    49 S   CA   _C8_    42     1.40530   118.75756   -85.01463
   51    50 S   HA   _H7_    43     1.08761   120.23196     1.53672
   52    50 S   CA   _C7_    44     1.39377   120.52916  -179.37913
   53    52 S   HA   _H6_    45     1.08601   119.17319  -178.81717
   54    52 S   CA   _C6_    46     1.39633   119.84359     0.85661
   55    54 S   CA   _C5_    47     1.40198   121.37746     0.99091
   56    54 S   OH   _O36    55     1.37054   119.38543  -179.06476
   57    56 S   HO   _H14    56     0.97205   108.62804     1.13419
   58    49 S   CA   _C10    48     1.41180   122.48945    97.54815
   59    55 S   CT   _C4_    51     1.50355   121.17273  -178.98896
   60    59 S   HC   _H3_    52     1.09441   109.86934    94.83043
   61    59 S   HC   _H4_    53     1.09503   111.11993  -144.41469
   62    59 S   HC   _H5_    54     1.09462   111.77642   -25.86693
   63    58 S   OH   _O33    49     1.37447   120.94063    -1.65599
   64    63 S   HO   _H8_    50     0.97290   108.31207     4.02020
  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
  13   5   2   1   1  10   6  11   4   3   1   1   3   2   1   1
  10   8   4   7   3   9   9   3   1   6   4   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    42    39    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    49    42    43    44    39    45    46    47    48  
   38    40    42    39    45  
   36    37  
   37  
    0  
   40    41    49    50    58    42    43    44    39    45  
   45    46    47    48    40    42  
   41    49    50    51    52    55    58    63    42    43    44  
   49    50    58    42  
   43    44    49  
   44  
    0  
   46    47    48  
   47    48  
   48  
    0  
   50    51    52    53    54    55    58    63    64    59  
   51    52    53    54    55    58    63    56  
   52    53    54    58  
   53    54    55    58    59    56    57  
   54    55    56  
   55    58    63    59    60    61    62    56    57  
   58    63    64    59    60    61    62    56    57  
   57    58    59  
    0  
   63    64    59    60    61    62  
   60    61    62    63  
   61    62  
   62  
    0  
   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  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.2500   0.1700  -0.725400   1.8650   1.6500   0.051222218  -2.220205820
   43   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   44   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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    39   222.000  1.810
   38    40   465.000  1.376
   38    42   425.000  1.378
   40    41   745.000  1.250
   40    49   320.000  1.460
   49    50   469.000  1.400
   49    58   469.000  1.400
   50    51   367.000  1.080
   50    52   469.000  1.400
   52    53   367.000  1.080
   52    54   469.000  1.400
   54    55   469.000  1.400
   54    56   450.000  1.364
   55    58   469.000  1.400
   55    59   317.000  1.510
   58    63   450.000  1.364
   63    64   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   56    57   553.000  0.945
   42    43   434.000  1.010
   42    44   434.000  1.010
   39    45   222.000  1.810
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
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    39    75.00000  118.28000
   33    38    40    70.00000  124.00000
   33    38    42    75.00000  116.24600
   33    39    45    62.00000   98.90000
   38    33    34    85.00000  110.90400
   38    40    41    65.00000  137.10300
   38    40    49    60.00000  123.20500
   38    42    43    35.00000  114.50000
   38    42    44    35.00000  114.50000
   40    49    50    60.00000  120.93500
   40    49    58    60.00000  120.93500
   49    40    41    85.00000  114.86500
   49    50    51    35.00000  120.00000
   49    50    52    63.00000  120.00000
   49    58    55    63.00000  120.00000
   49    58    63    70.00000  120.00000
   50    52    53    35.00000  120.00000
   50    52    54    63.00000  120.00000
   52    50    51    35.00000  120.00000
   52    54    55    63.00000  120.00000
   52    54    56    70.00000  120.00000
   54    52    53    35.00000  120.00000
   54    55    58    63.00000  120.00000
   54    55    59    70.00000  120.00000
   54    56    57    35.00000  113.00000
   55    58    63    70.00000  120.00000
   55    59    60    35.00000  109.50000
   55    59    61    35.00000  109.50000
   55    59    62    35.00000  109.50000
   58    49    50    63.00000  120.00000
   58    63    64    35.00000  113.00000
   59    55    58    70.00000  120.00000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   56    54    55    70.00000  120.00000
   42    38    40    70.00000  124.03900
   44    42    43    35.00000  109.00000
   39    33    34    85.00000  114.68000
   39    33    38    75.00000  112.20000
   39    45    46    35.00000  109.50000
   39    45    47    35.00000  109.50000
   39    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
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    39   0.08500  1.0 1.0
   24    29    33    39  -0.53150 -1.0 2.0
   24    29    33    39   0.48050  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    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    38    42   0.09700  1.0 1.0
   29    33    38    42   0.15600 -1.0 2.0
   29    33    38    42  -0.50800  1.0 3.0
   29    33    39    45   0.08500  1.0 1.0
   29    33    39    45  -0.53150 -1.0 2.0
   29    33    39    45   0.48050  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    49   7.00000 -1.0 2.0
   33    38    42    43   2.40850 -1.0 2.0
   33    38    42    44   2.40850 -1.0 2.0
   33    39    45    46   0.32350  1.0 3.0
   33    39    45    47   0.32350  1.0 3.0
   33    39    45    48   0.32350  1.0 3.0
   34    33    38    40   0.39000  1.0 1.0
   34    33    38    40  -0.05800 -1.0 2.0
   34    33    38    40  -0.55150  1.0 3.0
   34    33    38    42   0.09700  1.0 1.0
   34    33    38    42   0.15600 -1.0 2.0
   34    33    38    42  -0.50800  1.0 3.0
   34    33    39    45   0.13850  1.0 1.0
   34    33    39    45  -1.34450 -1.0 2.0
   34    33    39    45   0.57400  1.0 3.0
   38    33    39    45  -0.62250  1.0 1.0
   38    33    39    45  -0.38450 -1.0 2.0
   38    33    39    45   0.81900  1.0 3.0
   38    40    49    50   0.15800  1.0 1.0
   38    40    49    50   1.85350 -1.0 2.0
   38    40    49    50  -0.48700  1.0 3.0
   38    40    49    58   0.15800  1.0 1.0
   38    40    49    58   1.85350 -1.0 2.0
   38    40    49    58  -0.48700  1.0 3.0
   40    38    42    43   1.00000 -1.0 2.0
   40    38    42    44   1.00000 -1.0 2.0
   40    49    50    51   3.62500 -1.0 2.0
   40    49    50    52   3.62500 -1.0 2.0
   40    49    58    55   3.62500 -1.0 2.0
   40    49    58    63   3.62500 -1.0 2.0
   41    40    49    50  -0.01750  1.0 1.0
   41    40    49    50  -0.32000 -1.0 2.0
   41    40    49    50   0.00600  1.0 3.0
   41    40    49    58  -0.01750  1.0 1.0
   41    40    49    58  -0.32000 -1.0 2.0
   41    40    49    58   0.00600  1.0 3.0
   49    50    52    53   3.62500 -1.0 2.0
   49    50    52    54   3.62500 -1.0 2.0
   49    58    63    64   0.84100 -1.0 2.0
   50    49    58    55   3.62500 -1.0 2.0
   50    49    58    63   3.62500 -1.0 2.0
   50    52   -54    55   3.62500 -1.0 2.0
   50    52    54    56   3.62500 -1.0 2.0
   51    50    52    53   3.62500 -1.0 2.0
   51    50    52    54   3.62500 -1.0 2.0
   52    54    55    58   3.62500 -1.0 2.0
   52    54    55    59   3.62500 -1.0 2.0
   52    54    56    57   0.84100 -1.0 2.0
   53    52    54    55   3.62500 -1.0 2.0
   53    52    54    56   3.62500 -1.0 2.0
   54    55   -58    49   3.62500 -1.0 2.0
   54    55    58    63   3.62500 -1.0 2.0
   54    55    59    60   0.00000  1.0 1.0
   54    55    59    61   0.00000  1.0 1.0
   54    55    59    62   0.00000  1.0 1.0
   55    54    56    57   0.84100 -1.0 2.0
   55    58    63    64   0.84100 -1.0 2.0
   58    49    50    51   3.62500 -1.0 2.0
   58    49   -50    52   3.62500 -1.0 2.0
   58    55    59    60   0.00000  1.0 1.0
   58    55    59    61   0.00000  1.0 1.0
   58    55    59    62   0.00000  1.0 1.0
   59    55    58    49   3.62500 -1.0 2.0
   59    55    58    63   3.62500 -1.0 2.0
   56    54    55    58   3.62500 -1.0 2.0
   56    54    55    59   3.62500 -1.0 2.0
   42    38    40    41   7.00000 -1.0 2.0
   42    38    40    49   7.00000 -1.0 2.0
   39    33    38    40   0.42700  1.0 1.0
   39    33    38    40  -0.70350 -1.0 2.0
   39    33    38    40  -0.43150  1.0 3.0
   39    33    38    42   0.09700  1.0 1.0
   39    33    38    42   0.15600 -1.0 2.0
   39    33    38    42  -0.50800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    42    38    40  15.00000 -1.0 2.0
   49    41    40    38  15.00000 -1.0 2.0
   50    58    49    40   4.00000 -1.0 2.0
   52    51    50    49   1.10000 -1.0 2.0
   54    53    52    50   1.10000 -1.0 2.0
   55    56    54    52   4.00000 -1.0 2.0
   58    59    55    54   4.00000 -1.0 2.0
   55    63    58    49   4.00000 -1.0 2.0
   44    38    42    43   1.00000 -1.0 2.0
END
