* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    145    231     427
    1     0 S   NP   _N1_     1    28.75489    94.53073   -23.84932
    2     1 S   H    _HN1     2     1.02782   106.45296   -84.97957
    3     1 S   H    _H1_     3     1.02951    82.48089    22.00860
    4     1 S   H    _H2_     4     1.02830    26.98300   177.80518
    5     1 S   CT   _CA1     5     1.50106   131.72559   132.71810
    6     5 S   HC   _HA1     6     1.09572   105.21920    79.30499
    7     5 S   CO3  _C1_     7     1.53798   112.41491   -40.95671
    8     7 S   O2Z  _O11     8     1.26371   115.00726   -43.58900
    9     7 S   O2Z  _O12     9     1.26238   114.94492   135.58075
   10     5 S   CT   _CB1    10     1.53090   107.43322  -162.71590
   11    10 S   HC   HB11    11     1.09829   109.40996   -49.94737
   12    10 S   HC   HB12    12     1.09814   110.43145    66.66572
   13    10 S   CT   _CG1    13     1.52982   112.58343  -170.94572
   14    13 S   HC   HG11    14     1.09589   110.57029   -64.36131
   15    13 S   HC   HG12    15     1.09666   109.85250    54.86017
   16    13 S   C    _CD1    16     1.51792   112.29986   175.31826
   17    16 S   O    _OE1    17     1.22734   123.32484     3.84726
   18    16 S   N    _N2_    18     1.38651   111.61561  -176.30207
   19    18 S   H    _HN2    19     1.01584   118.99317     1.70284
   20    18 S   CT1  _CA2    20     1.46172   123.33463   178.46252
   21    20 S   HC   _HA2    21     1.09750   109.38282    -1.75491
   22    20 S   C    _C2_    22     1.53474   108.41164  -117.18750
   23    22 S   O    _O2_    23     1.23035   122.36580  -146.96201
   24    20 S   CT   _CB2    32     1.53521   111.68399   120.24755
   25    24 S   HC   HB21    33     1.09356   109.65714    57.58199
   26    24 S   HC   HB22    34     1.09383   109.10571   176.46066
   27    22 S   N    _N3_    24     1.38359   113.56159    40.44185
   28    27 S   H    _HN3    25     1.01609   119.56093    -3.54193
   29    24 S   S    _SG2    35     1.82913   110.93119   -64.16670
   30    27 S   CT   _CA3    26     1.45283   123.14405   177.02889
   31    30 S   HC   HA31    27     1.09551   107.52177   -63.95951
   32    30 S   HC   HA32    28     1.09557   107.95872    52.45739
   33    29 S   CT   _C15    36     1.88578   103.41918   173.19427
   34    30 S   CO3  _C3_    29     1.52941   114.11932   174.43289
   35    34 S   O2Z  _O31    30     1.26371   116.07017    -1.08191
   36    34 S   O2Z  _O32    31     1.26430   114.40931   178.98240
   37    33 S   CT   _C7_    37     1.54880   109.93266    48.11964
   38    37 S   HC   _H23    38     1.09538   111.21696   -61.69194
   39    37 S   HC   _H24    39     1.09517   111.30250  -178.71732
   40    33 S   CT   _C9_    53     1.55114   106.09437   -70.34957
   41    40 S   HC   _H27    54     1.09620   110.84143    66.05564
   42    40 S   HC   _H28    55     1.09766   110.58721   -51.32421
   43    37 S   CO4  _C4_    40     1.51233   114.28761    61.32907
   44    43 S   O    _O16    41     1.22782   121.79321  -151.44754
   45    43 S   C3T  _C13    42     1.48715   116.42044    34.18934
   46    45 S   C3T  _C11    43     1.52456   120.32933    -1.27103
   47    46 S   HC   _H30    44     1.08325   119.23684  -158.59011
   48    45 S   CM   _C6_    67     1.48481   115.44626  -152.88273
   49    33 S   CT   _C14    45     1.60103   110.43516   169.95132
   50    45 S   O3T  _O17    66     1.43562   111.45331    63.13661
   51    48 S   CM   _C5_    68     1.34534   122.88462   -98.57938
   52    51 S   HC   _H21    69     1.08480   121.74851  -179.35350
   53    51 S   HC   _H22    70     1.08535   120.93663     1.13315
   54    48 S   CT   _C18    71     1.50758   117.31712    83.19185
   55    54 S   HC   _H38    72     1.09485   110.65757    47.95062
   56    54 S   HC   _H39    73     1.09540   111.86894   167.96307
   57    49 S   CT   _C10    46     1.58418   110.25640   168.60855
   58    57 S   HC   _H29    47     1.09804   108.80233    65.32962
   59    49 S   CT   _C17    62     1.56176   111.61863    47.87366
   60    59 S   HC   _H35    63     1.09485   112.23292   -64.98117
   61    59 S   HC   _H36    64     1.09518   111.51337   178.04946
   62    59 S   HC   _H37    65     1.09309   112.54833    57.04384
   63    54 S   OH   _O19    74     1.42034   109.48950   -72.30786
   64    63 S   HO   _H41    75     0.97236   107.05731   176.40343
   65    57 S   CT   _C12    48     1.54198   112.42170   -52.90373
   66    65 S   HC   _H31    49     1.09592   110.19668   -68.44558
   67    57 S   CT   _C16    58     1.54220   113.94156  -178.30396
   68    67 S   HC   _H32    59     1.09456   111.84166    74.15282
   69    67 S   HC   _H33    60     1.09363   111.97243   -47.64966
   70    67 S   HC   _H34    61     1.09578   110.47313  -166.67711
   71    65 S   CT   _C8_    50     1.52221   112.08873    54.22592
   72    71 S   HC   _H25    51     1.09756   109.32666  -175.91894
   73    71 S   HC   _H26    52     1.09698   109.99515    69.50108
   74    65 S   OH   _O18    56     1.42793   109.32105   174.20871
   75    74 S   HO   _H40    57     0.97249   107.61007   178.10256
  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  13   5   4   3
  24   2   1   1  15   6   5  13   6   5   9   4  14  14   5  10
  15   4   6   2   1   4   3   2  16   9   5   2   1   1   1   1
  10   6   5   2   1   1   4   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    46    49    57    71    40    41    42    59  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    46    47    49    57    58    65    71    72    73    40    41    42    67    59    60    61    62    50  
   35    36  
   36  
    0  
   38    39    43    44    45    46    49    57    71    40    41    42    59    50    48  
   39    43    44    45    49    40  
   43    44    45    49    40  
   41    42    74    59    43    46    49    57    65    66    71    72    73  
   42    49    65    71    72    73  
   49    65    71    72    73  
   44    45    46    47    49    50    48    51    54  
   45    46    50    48  
   46    47    49    57    59    50    48    51    52    53    54    55    56    63  
   47    49    57    58    65    67    59    60    61    62    50    48    51    54  
   49    57    59    50    48  
   51    52    53    54    55    56    63    64    49    50  
   57    58    65    66    71    74    67    68    69    70    59    60    61    62    50  
   51    54    57    59  
   52    53    54    55    56    63  
   53    54  
   54  
   55    56    63    64  
   56    63    64  
   63    64  
   58    65    66    71    72    73    74    75    67    68    69    70    59    60    61    62  
   65    66    71    74    67    68    69    70    59  
   60    61    62    65    67  
   61    62  
   62  
    0  
   64  
    0  
   66    71    72    73    74    75    67    68    69    70  
   71    72    73    74    75    67  
   68    69    70    71    74  
   69    70  
   70  
    0  
   72    73    74    75  
   73    74  
   74  
   75  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   46   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.145000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   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   268.000  1.529
   33    49   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    45   290.000  1.496
   45    46   260.000  1.509
   45    50   335.000  1.432
   45    48   305.000  1.480
   46    47   340.000  1.088
   46    49   275.000  1.510
   46    50   335.000  1.432
   49    57   268.000  1.529
   49    59   268.000  1.529
   57    58   340.000  1.090
   57    65   268.000  1.529
   57    67   268.000  1.529
   65    66   340.000  1.090
   65    71   268.000  1.529
   65    74   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   74    75   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   48    51   549.000  1.340
   48    54   317.000  1.510
   51    52   340.000  1.080
   51    53   340.000  1.080
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    63   320.000  1.410
   63    64   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  111.63000
   29    33    49    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    49    46    70.00000  112.37300
   33    49    57    58.35000  112.70000
   33    49    59    58.35000  112.70000
   33    40    71    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    45    65.00000  117.32000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    65.00000  117.18000
   43    45    50    80.00000  114.91000
   43    45    48    70.00000  109.06800
   45    43    44    75.00000  121.36600
   45    46    47    37.50000  117.20000
   45    46    49    60.00000  120.94000
   45    46    50    15.00000   60.43100
   45    50    46    15.00000   59.14900
   45    48    51    55.00000  125.06700
   45    48    54    65.00000  117.92700
   46    49    57    70.00000  112.37300
   46    49    59    70.00000  112.37300
   49    33    37    58.35000  112.70000
   49    46    47    40.00000  115.04500
   49    57    58    37.50000  110.70000
   49    57    65    58.35000  112.70000
   49    57    67    58.35000  112.70000
   49    59    60    37.50000  110.70000
   49    59    61    37.50000  110.70000
   49    59    62    37.50000  110.70000
   57    65    66    37.50000  110.70000
   57    65    71    58.35000  112.70000
   57    65    74    50.00000  109.50000
   57    67    68    37.50000  110.70000
   57    67    69    37.50000  110.70000
   57    67    70    37.50000  110.70000
   65    57    58    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    40    58.35000  112.70000
   65    74    75    55.00000  108.50000
   71    65    66    37.50000  110.70000
   71    40    41    37.50000  110.70000
   71    40    42    37.50000  110.70000
   73    71    72    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    49    58.35000  112.70000
   40    71    72    37.50000  110.70000
   40    71    73    37.50000  110.70000
   42    40    41    33.00000  107.80000
   74    65    66    35.00000  109.50000
   74    65    71    50.00000  109.50000
   67    57    58    37.50000  110.70000
   67    57    65    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   59    49    57    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   50    45    46    15.00000   60.43100
   50    46    47    50.00000  114.27700
   50    46    49    80.00000  116.47100
   48    45    46    60.00000  120.58800
   48    45    50    85.00000  114.23300
   48    51    52    35.00000  120.00000
   48    51    53    35.00000  120.00000
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    63    90.00000  110.39200
   53    51    52    35.00000  117.00000
   54    48    51    70.00000  124.00000
   54    63    64    55.00000  108.50000
   56    54    55    33.00000  107.80000
   63    54    55    35.00000  109.50000
   63    54    56    35.00000  109.50000
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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    49    46   0.44750  1.0 1.0
   29    33    49    46  -0.17800 -1.0 2.0
   29    33    49    46   0.20200  1.0 3.0
   29    33    49    57   0.44750  1.0 1.0
   29    33    49    57  -0.17800 -1.0 2.0
   29    33    49    57   0.20200  1.0 3.0
   29    33    49    59   0.44750  1.0 1.0
   29    33    49    59  -0.17800 -1.0 2.0
   29    33    49    59   0.20200  1.0 3.0
   29    33    40    71   0.44750  1.0 1.0
   29    33    40    71  -0.17800 -1.0 2.0
   29    33    40    71   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    45   0.60050  1.0 1.0
   33    37    43    45   0.05600 -1.0 2.0
   33    37    43    45   0.26150  1.0 3.0
   33    49    57    58   0.15000  1.0 3.0
   33    49    57    65   0.56750  1.0 1.0
   33    49    57    65  -0.07550 -1.0 2.0
   33    49    57    65   0.20000  1.0 3.0
   33    49    57    67   0.56750  1.0 1.0
   33    49    57    67  -0.07550 -1.0 2.0
   33    49    57    67   0.20000  1.0 3.0
   33    49    59    60   0.15000  1.0 3.0
   33    49    59    61   0.15000  1.0 3.0
   33    49    59    62   0.15000  1.0 3.0
   37    33    49    46   0.47050  1.0 1.0
   37    33    49    46   0.03900 -1.0 2.0
   37    33    49    46   0.20100  1.0 3.0
   37    33    49    57   0.56750  1.0 1.0
   37    33    49    57  -0.07550 -1.0 2.0
   37    33    49    57   0.20000  1.0 3.0
   37    33    49    59   0.56750  1.0 1.0
   37    33    49    59  -0.07550 -1.0 2.0
   37    33    49    59   0.20000  1.0 3.0
   37    33    40    71   0.56750  1.0 1.0
   37    33    40    71  -0.07550 -1.0 2.0
   37    33    40    71   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    43   -45    46   0.60050  1.0 1.0
   37    43   -45    46   0.05600 -1.0 2.0
   37    43   -45    46   0.26150  1.0 3.0
   37    43    45    50   0.55300  1.0 1.0
   37    43    45    50   1.25850 -1.0 2.0
   37    43    45    50  -0.23600  1.0 3.0
   37    43    45    48   0.65300  1.0 1.0
   37    43    45    48  -0.03850 -1.0 2.0
   37    43    45    48   0.33900  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    45   0.00000  1.0 1.0
   39    37    43    44   0.00000  1.0 1.0
   39    37    43    45   0.00000  1.0 1.0
   43    45    46    47   0.15000  1.0 3.0
   43    45    46    49  -0.95700  1.0 1.0
   43    45    46    49  -0.18200 -1.0 2.0
   43    45    46    49   0.29450  1.0 3.0
   43    45   -46    50  -0.09450  1.0 1.0
   43    45   -46    50  -1.12950 -1.0 2.0
   43    45   -46    50   0.54000  1.0 3.0
   43    45   -50    46  -1.11000  1.0 1.0
   43    45   -50    46   0.50250 -1.0 2.0
   43    45   -50    46   0.47450  1.0 3.0
   43    45    48    51  -0.51250  1.0 1.0
   43    45    48    51  -0.88800 -1.0 2.0
   43    45    48    51   0.08850  1.0 3.0
   43    45    48    54   0.17250  1.0 1.0
   43    45    48    54  -0.04100 -1.0 2.0
   43    45    48    54  -0.33850  1.0 3.0
   44    43    45    46   0.30150 -1.0 2.0
   44    43    45    50   0.30150 -1.0 2.0
   44    43    45    48   0.30150 -1.0 2.0
   45    46   -49    33   0.07850  1.0 1.0
   45    46   -49    33  -0.03950 -1.0 2.0
   45    46   -49    33   0.67350  1.0 3.0
   45    46    49    57   0.07850  1.0 1.0
   45    46    49    57  -0.03950 -1.0 2.0
   45    46    49    57   0.67350  1.0 3.0
   45    46    49    59   0.07850  1.0 1.0
   45    46    49    59  -0.03950 -1.0 2.0
   45    46    49    59   0.67350  1.0 3.0
   45    48    51    52   7.00000 -1.0 2.0
   45    48    51    53   7.00000 -1.0 2.0
   45    48    54    55   0.34800  1.0 3.0
   45    48    54    56   0.34800  1.0 3.0
   45    48    54    63   0.18000  1.0 1.0
   45    48    54    63   0.16450 -1.0 2.0
   45    48    54    63   0.04450  1.0 3.0
   46    45    48    51   0.09850  1.0 1.0
   46    45    48    51   0.15250 -1.0 2.0
   46    45    48    51  -0.50650  1.0 3.0
   46    45    48    54   0.46850  1.0 1.0
   46    45    48    54   0.08550 -1.0 2.0
   46    45    48    54   0.09800  1.0 3.0
   46    49    57    58   0.15000  1.0 3.0
   46    49    57    65   0.47050  1.0 1.0
   46    49    57    65   0.03900 -1.0 2.0
   46    49    57    65   0.20100  1.0 3.0
   46    49    57    67   0.47050  1.0 1.0
   46    49    57    67   0.03900 -1.0 2.0
   46    49    57    67   0.20100  1.0 3.0
   46    49    59    60   0.15000  1.0 3.0
   46    49    59    61   0.15000  1.0 3.0
   46    49    59    62   0.15000  1.0 3.0
   47    46    49    33   0.15000  1.0 3.0
   47    46    49    57   0.15000  1.0 3.0
   47    46    49    59   0.15000  1.0 3.0
   47    46   -50    45   0.36800  1.0 3.0
   49    33    37    38   0.15000  1.0 3.0
   49    33    37    39   0.15000  1.0 3.0
   49    33   -37    43  -0.95700  1.0 1.0
   49    33   -37    43  -0.18200 -1.0 2.0
   49    33   -37    43   0.29450  1.0 3.0
   49    33    40    71   0.56750  1.0 1.0
   49    33    40    71  -0.07550 -1.0 2.0
   49    33    40    71   0.20000  1.0 3.0
   49    33    40    41   0.15000  1.0 3.0
   49    33    40    42   0.15000  1.0 3.0
   49    46   -50    45   0.06250  1.0 1.0
   49    46   -50    45  -0.01100 -1.0 2.0
   49    46   -50    45   0.28050  1.0 3.0
   49    57    65    66   0.15000  1.0 3.0
   49    57   -65    71   0.56750  1.0 1.0
   49    57   -65    71  -0.07550 -1.0 2.0
   49    57   -65    71   0.20000  1.0 3.0
   49    57    65    74   0.86500  1.0 1.0
   49    57    65    74  -0.17500 -1.0 2.0
   49    57    65    74   0.20800  1.0 3.0
   49    57    67    68   0.15000  1.0 3.0
   49    57    67    69   0.15000  1.0 3.0
   49    57    67    70   0.15000  1.0 3.0
   57    49    59    60   0.15000  1.0 3.0
   57    49    59    61   0.15000  1.0 3.0
   57    49    59    62   0.15000  1.0 3.0
   57    65    71    72   0.15000  1.0 3.0
   57    65    71    73   0.15000  1.0 3.0
   57    65    71    40   0.56750  1.0 1.0
   57    65    71    40  -0.07550 -1.0 2.0
   57    65    71    40   0.20000  1.0 3.0
   57    65    74    75  -0.11600  1.0 1.0
   57    65    74    75  -0.09450 -1.0 2.0
   57    65    74    75   0.21250  1.0 3.0
   58    57    65    66   0.15000  1.0 3.0
   58    57    65    71   0.15000  1.0 3.0
   58    57    65    74   0.23400  1.0 3.0
   58    57    67    68   0.15000  1.0 3.0
   58    57    67    69   0.15000  1.0 3.0
   58    57    67    70   0.15000  1.0 3.0
   65    57    67    68   0.15000  1.0 3.0
   65    57    67    69   0.15000  1.0 3.0
   65    57    67    70   0.15000  1.0 3.0
   65    71   -40    33   0.56750  1.0 1.0
   65    71   -40    33  -0.07550 -1.0 2.0
   65    71   -40    33   0.20000  1.0 3.0
   65    71    40    41   0.15000  1.0 3.0
   65    71    40    42   0.15000  1.0 3.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    73   0.15000  1.0 3.0
   66    65    71    40   0.15000  1.0 3.0
   66    65    74    75   0.19450  1.0 3.0
   71    65    74    75  -0.11600  1.0 1.0
   71    65    74    75  -0.09450 -1.0 2.0
   71    65    74    75   0.21250  1.0 3.0
   72    71    40    33   0.15000  1.0 3.0
   72    71    40    41   0.15000  1.0 3.0
   72    71    40    42   0.15000  1.0 3.0
   73    71    40    33   0.15000  1.0 3.0
   73    71    40    41   0.15000  1.0 3.0
   73    71    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43  -0.95700  1.0 1.0
   40    33    37    43  -0.18200 -1.0 2.0
   40    33    37    43   0.29450  1.0 3.0
   40    33    49    46   0.47050  1.0 1.0
   40    33    49    46   0.03900 -1.0 2.0
   40    33    49    46   0.20100  1.0 3.0
   40    33   -49    57   0.56750  1.0 1.0
   40    33   -49    57  -0.07550 -1.0 2.0
   40    33   -49    57   0.20000  1.0 3.0
   40    33    49    59   0.56750  1.0 1.0
   40    33    49    59  -0.07550 -1.0 2.0
   40    33    49    59   0.20000  1.0 3.0
   74    65    71    72   0.23400  1.0 3.0
   74    65    71    73   0.23400  1.0 3.0
   74    65    71    40   0.86500  1.0 1.0
   74    65    71    40  -0.17500 -1.0 2.0
   74    65    71    40   0.20800  1.0 3.0
   67    57    65    66   0.15000  1.0 3.0
   67    57    65    71   0.56750  1.0 1.0
   67    57    65    71  -0.07550 -1.0 2.0
   67    57    65    71   0.20000  1.0 3.0
   67    57    65    74   0.86500  1.0 1.0
   67    57    65    74  -0.17500 -1.0 2.0
   67    57    65    74   0.20800  1.0 3.0
   59    49    57    58   0.15000  1.0 3.0
   59    49    57    65   0.56750  1.0 1.0
   59    49    57    65  -0.07550 -1.0 2.0
   59    49    57    65   0.20000  1.0 3.0
   59    49    57    67   0.56750  1.0 1.0
   59    49    57    67  -0.07550 -1.0 2.0
   59    49    57    67   0.20000  1.0 3.0
   50    45   -46    47   0.23400  1.0 3.0
   50    45   -46    49   0.02550  1.0 1.0
   50    45   -46    49  -0.02600 -1.0 2.0
   50    45   -46    49   1.20400  1.0 3.0
   50    45    48    51   0.39000  1.0 1.0
   50    45    48    51  -0.05800 -1.0 2.0
   50    45    48    51  -0.55150  1.0 3.0
   50    45    48    54   0.09700  1.0 1.0
   50    45    48    54   0.15600 -1.0 2.0
   50    45    48    54  -0.50800  1.0 3.0
   50    46    49    33   0.02550  1.0 1.0
   50    46    49    33  -0.02600 -1.0 2.0
   50    46    49    33   1.20400  1.0 3.0
   50    46    49    57   0.02550  1.0 1.0
   50    46    49    57  -0.02600 -1.0 2.0
   50    46    49    57   1.20400  1.0 3.0
   50    46    49    59   0.02550  1.0 1.0
   50    46    49    59  -0.02600 -1.0 2.0
   50    46    49    59   1.20400  1.0 3.0
   48    45    46    47   0.15000  1.0 3.0
   48    45    46    49   0.34400  1.0 1.0
   48    45    46    49   0.09450 -1.0 2.0
   48    45    46    49   0.11100  1.0 3.0
   48    45   -46    50   0.61850  1.0 1.0
   48    45   -46    50  -0.22750 -1.0 2.0
   48    45   -46    50   0.15300  1.0 3.0
   48    45   -50    46  -0.77900  1.0 1.0
   48    45   -50    46  -0.36900 -1.0 2.0
   48    45   -50    46   0.40400  1.0 3.0
   48    54    63    64  -0.07800  1.0 1.0
   48    54    63    64  -0.21500 -1.0 2.0
   48    54    63    64  -0.03150  1.0 3.0
   51    48    54    55   0.00000  1.0 1.0
   51    48    54    56   0.00000  1.0 1.0
   51    48    54    63   0.67800  1.0 1.0
   51    48    54    63   0.47050 -1.0 2.0
   51    48    54    63  -0.62500  1.0 3.0
   54    48    51    52   7.00000 -1.0 2.0
   54    48    51    53   7.00000 -1.0 2.0
   55    54    63    64   0.19450  1.0 3.0
   56    54    63    64   0.19450  1.0 3.0
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
   36    30    34    35  10.50000 -1.0 2.0
   37    45    43    44  10.50000 -1.0 2.0
   45    54    48    51  15.00000 -1.0 2.0
   52    53    51    48  15.00000 -1.0 2.0
END
