* LIGAND DATABASE FILE (OPLS2005)
*
001      62    63    107    171     316
    1     0 S   NP   _N1_     1    28.34626    97.77813   -21.61514
    2     1 S   H    _HN1     2     1.02949    68.41334     7.23972
    3     1 S   H    _H1_     3     1.02828    47.02438   150.39104
    4     1 S   H    _H2_     4     1.02788    95.61564  -100.31639
    5     1 S   CT   _CA1     5     1.50114   150.10415   100.91189
    6     5 S   HC   _HA1     6     1.09572   105.19285    95.73039
    7     5 S   CO3  _C1_     7     1.53788   112.48331   -24.51437
    8     7 S   O2Z  _O11     8     1.26371   115.00467   -42.14912
    9     7 S   O2Z  _O12     9     1.26240   114.94668   136.99814
   10     5 S   CT   _CB1    10     1.53080   107.42158  -146.27526
   11    10 S   HC   HB11    11     1.09833   109.37899   -49.61220
   12    10 S   HC   HB12    12     1.09811   110.44436    67.00024
   13    10 S   CT   _CG1    13     1.52988   112.60754  -170.58387
   14    13 S   HC   HG11    14     1.09585   110.64181   -65.67806
   15    13 S   HC   HG12    15     1.09668   109.78458    53.55776
   16    13 S   C    _CD1    16     1.51793   112.22024   174.02709
   17    16 S   O    _OE1    17     1.22724   123.28278     7.10804
   18    16 S   N    _N2_    18     1.38625   111.64918  -172.95371
   19    18 S   H    _HN2    19     1.01572   118.90719     2.01868
   20    18 S   CT1  _CA2    20     1.46256   123.47422   178.01052
   21    20 S   HC   _HA2    21     1.09730   109.45721     4.46896
   22    20 S   C    _C2_    22     1.53555   108.40232  -111.13765
   23    22 S   O    _O2_    23     1.23054   122.37407  -145.78035
   24    20 S   CT   _CB2    32     1.53337   111.37967   126.58668
   25    24 S   HC   HB21    33     1.09469   109.52502    56.51610
   26    24 S   HC   HB22    34     1.09438   109.95404   175.20650
   27    22 S   N    _N3_    24     1.38360   113.66044    41.49152
   28    27 S   H    _HN3    25     1.01576   119.59276    -2.91215
   29    24 S   S    _SG2    35     1.83101   111.09797   -64.84929
   30    27 S   CT   _CA3    26     1.45286   123.21248   177.32636
   31    30 S   HC   HA31    27     1.09550   107.47784   -65.42252
   32    30 S   HC   HA32    28     1.09559   108.02231    51.02545
   33    29 S   CT   _C16    36     1.88382   100.81632   171.00020
   34    33 S   Cl   Cl1_    37     1.82237   108.72645   176.58430
   35    30 S   CO3  _C3_    29     1.52969   114.07661   173.03959
   36    35 S   O2Z  _O31    30     1.26375   116.07256    -0.90720
   37    35 S   O2Z  _O32    31     1.26427   114.41594   179.16023
   38    33 S   CM   _C11    38     1.56436   110.85127    58.56159
   39    38 S   CM   _C12    39     1.48586   114.46707  -129.09117
   40    38 S   CMA  _C10    48     1.37977   122.61301    51.48645
   41    40 S   OM   _O33    49     1.26396   129.07090     4.44678
   42    39 S   CM   _C13    40     1.34648   124.05072     8.28563
   43    42 S   Cl   Cl4_    41     1.74842   118.72769  -179.43248
   44    39 S   OH   _O34    46     1.39024   117.20244  -166.54039
   45    44 S   HO   _H9_    47     0.97376   107.79407    25.53760
   46    40 S   NE   _N4_    50     1.40088   120.57450  -168.93537
   47    46 S   H    _H8_    51     1.01663   113.79022    31.44690
   48    42 S   CM   _C14    42     1.45130   122.30491    -3.22938
   49    48 S   Cl   Cl3_    43     1.74373   118.79406   178.51089
   50    46 S   CA   _C7_    52     1.41616   132.39191  -144.56855
   51    33 S   CM   _C15    44     1.53357   107.21497   -68.36991
   52    51 S   Cl   Cl2_    45     1.75736   116.40050   -55.09173
   53    50 S   CA   _C6_    53     1.40606   118.31738  -162.69856
   54    53 S   HA   _H5_    54     1.08790   120.11121    -0.76310
   55    53 S   CA   _C5_    55     1.39702   121.16500   178.93762
   56    55 S   HA   _H4_    56     1.08612   119.93898   179.98022
   57    55 S   CA   _C4_    57     1.39156   119.99526    -0.19584
   58    57 S   HA   _H3_    58     1.08592   120.14627  -179.97202
   59    57 S   CA   _C9_    59     1.39219   119.74073    -0.02798
   60    59 S   HA   _H7_    60     1.08630   119.99791   179.90309
   61    50 S   CA   _C8_    61     1.40264   123.73543    15.71227
   62    61 S   HA   _H6_    62     1.08678   120.93671     2.39817
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  12   6   2   1   1  13  10   9   3   7   4   2   1   8   3   3
   2   9   1   1   8   4   6   3   5   3   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    51    52    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    48    49    51    52    44    40    41    46  
   38    39    48    51    52    40  
   36    37  
   37  
    0  
   39    42    43    48    51    52    44    45    40    41    46    47    50  
   42    43    48    49    51    44    45    40    41    46  
   41    46    47    50    53    61    42    44    51  
   46    47    50  
   43    48    49    51    52    44    45  
   48    49    51    44  
   45    48  
    0  
   47    50    53    54    55    59    61    62  
   50    53    61  
   49    51    52  
   51    52  
   53    54    55    56    57    59    60    61    62  
   52  
    0  
   54    55    56    57    58    59    61    62  
   55    56    57    61  
   56    57    58    59    60    61  
   57    58    59  
   58    59    60    61    62  
   59    60    61  
   60    61    62  
   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  -0.175000   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   3.5000   0.0660   0.207500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   44   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   46   3.2500   0.1700  -1.076200   1.8650   1.6500   0.051222218  -2.220205820
   47   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   50   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   245.000  1.781
   33    38   317.000  1.510
   33    51   317.000  1.510
   38    39   380.000  1.444
   38    40   465.000  1.376
   39    42   549.000  1.340
   39    44   510.000  1.338
   42    43   300.000  1.725
   42    48   380.000  1.444
   48    49   300.000  1.725
   48    51   549.000  1.340
   51    52   300.000  1.725
   44    45   553.000  0.945
   40    41   745.000  1.250
   40    46   415.000  1.382
   46    47   434.000  1.010
   46    50   481.000  1.340
   50    53   469.000  1.400
   50    61   469.000  1.400
   53    54   367.000  1.080
   53    55   469.000  1.400
   55    56   367.000  1.080
   55    57   469.000  1.400
   57    58   367.000  1.080
   57    59   469.000  1.400
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   367.000  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    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  110.65400
   29    33    38    75.00000  112.20000
   29    33    51    75.00000  112.20000
   33    38    39    70.00000  124.00000
   33    38    40    70.00000  124.00000
   33    51    48    70.00000  124.00000
   33    51    52    75.00000  111.02000
   38    33    34    75.00000  111.90500
   38    39    42    70.00000  123.01800
   38    39    44    80.00000  121.38400
   38    40    41    65.00000  137.10300
   38    40    46    75.00000  114.40000
   39    42    43    75.00000  121.50000
   39    42    48    70.00000  123.01800
   39    44    45    70.00000  107.45700
   42    48    49    75.00000  121.50000
   42    48    51    70.00000  123.01800
   48    42    43    75.00000  121.50000
   48    51    52    75.00000  121.50000
   51    33    34    75.00000  111.90500
   51    33    38    70.00000  110.12100
   51    48    49    75.00000  121.50000
   44    39    42    80.00000  121.38400
   40    38    39    70.00000  117.34000
   40    46    47    50.00000  121.48000
   40    46    50    75.00000  121.78000
   46    40    41   105.00000  113.92000
   46    50    53    70.00000  120.10000
   46    50    61    70.00000  120.10000
   50    46    47    35.00000  113.50000
   50    53    54    35.00000  120.00000
   50    53    55    63.00000  120.00000
   50    61    59    63.00000  120.00000
   50    61    62    35.00000  120.00000
   53    55    56    35.00000  120.00000
   53    55    57    63.00000  120.00000
   55    53    54    35.00000  120.00000
   55    57    58    35.00000  120.00000
   55    57    59    63.00000  120.00000
   57    55    56    35.00000  120.00000
   57    59    60    35.00000  120.00000
   57    59    61    63.00000  120.00000
   59    57    58    35.00000  120.00000
   59    61    62    35.00000  120.00000
   61    50    53    63.00000  120.00000
   61    59    60    35.00000  120.00000
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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   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
   24    29    33    51  -0.62250  1.0 1.0
   24    29    33    51  -0.38450 -1.0 2.0
   24    29    33    51   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    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  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    51    48   0.42700  1.0 1.0
   29    33    51    48  -0.70350 -1.0 2.0
   29    33    51    48  -0.43150  1.0 3.0
   29    33    51    52   0.09700  1.0 1.0
   29    33    51    52   0.15600 -1.0 2.0
   29    33    51    52  -0.50800  1.0 3.0
   33    38    39    42  -0.18600  1.0 3.0
   33    38    39    44   1.08500 -1.0 2.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    46   7.00000 -1.0 2.0
   34    33    38    39   0.09700  1.0 1.0
   34    33    38    39   0.15600 -1.0 2.0
   34    33    38    39  -0.50800  1.0 3.0
   34    33    38    40   0.09700  1.0 1.0
   34    33    38    40   0.15600 -1.0 2.0
   34    33    38    40  -0.50800  1.0 3.0
   34    33    51    48   0.09700  1.0 1.0
   34    33    51    48   0.15600 -1.0 2.0
   34    33    51    48  -0.50800  1.0 3.0
   34    33    51    52   0.09700  1.0 1.0
   34    33    51    52   0.15600 -1.0 2.0
   34    33    51    52  -0.50800  1.0 3.0
   38    33    51    48  -0.28300  1.0 1.0
   38    33    51    48   0.26700 -1.0 2.0
   38    33    51    48  -0.63300  1.0 3.0
   38    33    51    52   0.09700  1.0 1.0
   38    33    51    52   0.15600 -1.0 2.0
   38    33    51    52  -0.50800  1.0 3.0
   38    39    42    43   7.00000 -1.0 2.0
   38    39   -42    48   7.00000 -1.0 2.0
   38    39    44    45  -0.66100  1.0 1.0
   38    39    44    45   1.20850 -1.0 2.0
   38    39    44    45  -0.36000  1.0 3.0
   38    40    46    47   1.00000 -1.0 2.0
   38    40    46    50  -0.54500  1.0 1.0
   38    40    46    50   1.14150 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    46   7.00000 -1.0 2.0
   39    42    48    49  -0.18600  1.0 3.0
   39    42    48    51   0.28850  1.0 1.0
   39    42    48    51   2.61350 -1.0 2.0
   39    42    48    51   0.78400  1.0 3.0
   42    39    44    45  -0.66100  1.0 1.0
   42    39    44    45   1.20850 -1.0 2.0
   42    39    44    45  -0.36000  1.0 3.0
   42    48   -51    33   7.00000 -1.0 2.0
   42    48    51    52   7.00000 -1.0 2.0
   43    42    48    49   1.08500 -1.0 2.0
   43    42    48    51  -0.18600  1.0 3.0
   49    48    51    33   7.00000 -1.0 2.0
   49    48    51    52   7.00000 -1.0 2.0
   51    33   -38    39  -0.28300  1.0 1.0
   51    33   -38    39   0.26700 -1.0 2.0
   51    33   -38    39  -0.63300  1.0 3.0
   51    33    38    40  -0.28300  1.0 1.0
   51    33    38    40   0.26700 -1.0 2.0
   51    33    38    40  -0.63300  1.0 3.0
   44    39    42    43   7.00000 -1.0 2.0
   44    39    42    48   7.00000 -1.0 2.0
   40    38    39    42   0.28850  1.0 1.0
   40    38    39    42   2.61350 -1.0 2.0
   40    38    39    42   0.78400  1.0 3.0
   40    38    39    44   0.50950  1.0 1.0
   40    38    39    44   0.56650 -1.0 2.0
   40    38    39    44   0.34050  1.0 3.0
   40    46    50    53   0.70250  1.0 1.0
   40    46    50    53   1.56150 -1.0 2.0
   40    46    50    61   0.70250  1.0 1.0
   40    46    50    61   1.56150 -1.0 2.0
   41    40    46    47   1.00000 -1.0 2.0
   41    40    46    50   1.00000 -1.0 2.0
   46    50    53    54   3.62500 -1.0 2.0
   46    50    53    55   3.62500 -1.0 2.0
   46    50    61    59   3.62500 -1.0 2.0
   46    50    61    62   3.62500 -1.0 2.0
   47    46    50    53   1.00000 -1.0 2.0
   47    46    50    61   1.00000 -1.0 2.0
   50    53    55    56   3.62500 -1.0 2.0
   50    53    55    57   3.62500 -1.0 2.0
   53    50    61    59   3.62500 -1.0 2.0
   53    50    61    62   3.62500 -1.0 2.0
   53    55    57    58   3.62500 -1.0 2.0
   53    55   -57    59   3.62500 -1.0 2.0
   54    53    55    56   3.62500 -1.0 2.0
   54    53    55    57   3.62500 -1.0 2.0
   55    57    59    60   3.62500 -1.0 2.0
   55    57    59    61   3.62500 -1.0 2.0
   56    55    57    58   3.62500 -1.0 2.0
   56    55    57    59   3.62500 -1.0 2.0
   57    59   -61    50   3.62500 -1.0 2.0
   57    59    61    62   3.62500 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   58    57    59    61   3.62500 -1.0 2.0
   60    59    61    50   3.62500 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   61    50    53    54   3.62500 -1.0 2.0
   61    50   -53    55   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    40   1.10000 -1.0 2.0
   38    44    39    42   1.10000 -1.0 2.0
   48    43    42    39   1.10000 -1.0 2.0
   42    49    48    51   1.10000 -1.0 2.0
   33    52    51    48   1.10000 -1.0 2.0
   46    41    40    38   1.10000 -1.0 2.0
   47    40    46    50   1.00000 -1.0 2.0
   53    61    50    46   4.00000 -1.0 2.0
   55    54    53    50   1.10000 -1.0 2.0
   57    56    55    53   1.10000 -1.0 2.0
   59    58    57    55   1.10000 -1.0 2.0
   61    60    59    57   1.10000 -1.0 2.0
   59    62    61    50   1.10000 -1.0 2.0
END
