* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    136    208     398
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02007    99.28511    22.32626
    3     1 S   H    _H1_     3     1.02104    36.65466   131.27387
    4     1 S   H    _H2_     4     1.02144    79.04998   -85.09261
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C16    36     1.83518    98.14853  -158.21946
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C15    37     1.50293   107.38068   -79.98373
   38    37 S   HC   _H11    38     1.08193   118.14608    79.23335
   39    33 S   OH   _O38    76     1.42784   110.64683    36.71002
   40    39 S   HO   _H15    77     0.96918   106.40977    63.19510
   41    37 S   CM   _C14    39     1.34179   123.40832  -101.66249
   42    41 S   HC   _H10    40     1.07918   118.45901  -179.83331
   43    41 S   CT   _C13    41     1.51793   123.78465     1.13694
   44    43 S   CA   _C7_    42     1.53619   113.30664    89.14702
   45    43 S   CMA  _C20    63     1.54326   105.89834   -33.99338
   46    45 S   OM   _O37    64     1.23199   122.07644  -134.26690
   47    43 S   CT   _C21    72     1.54232   108.37356  -150.68283
   48    47 S   HC   _H16    73     1.08732   109.60454    56.73080
   49    47 S   HC   _H17    74     1.08750   109.61164   -63.27395
   50    47 S   HC   _H18    75     1.08728   109.58301   176.74286
   51    44 S   CA   _C8_    43     1.39479   119.98271  -150.04293
   52    33 S   CM   _C17    65     1.51040   110.20695   156.42966
   53    51 S   CA   _C9_    44     1.39579   120.00550   179.97202
   54    51 S   OH   _O35    61     1.36541   119.71955     0.00000
   55    54 S   HO   _H9_    62     0.96962   110.06419   179.94405
   56    52 S   CO4  _C18    66     1.34334   124.77478   -68.36664
   57    56 S   O    _O36    67     1.26361   130.67234     4.00526
   58    53 S   CA   _C10    45     1.39530   119.95480     0.07402
   59    58 S   OM   _O33    46     1.28510   120.10465  -180.00000
   60    53 S   CO4  _C11    55     1.46583   118.08617   179.98022
   61    60 S   O    _O34    56     1.22617   124.53745   -89.72557
   62    56 S   CT   _C19    68     1.51777   117.76502  -176.05971
   63    62 S   HC   _H12    69     1.09675   111.99429    90.02986
   64    62 S   HC   _H13    70     1.09715   111.37302   -29.40516
   65    62 S   HC   _H14    71     1.09752   111.32065  -150.58202
   66    58 S   CA   _C5_    47     1.39435   119.98756    -0.05595
   67    60 S   CT   _C12    57     1.49600   117.07389    90.06443
   68    67 S   HC   _H6_    58     1.10142   114.21098    89.98686
   69    67 S   HC   _H7_    59     1.10144   113.29134   -33.49009
   70    67 S   HC   _H8_    60     1.10504   112.81528  -151.84510
   71    44 S   CA   _C6_    48     1.39439   119.98442    29.98887
   72    66 S   CT   _C4_    51     1.50210   121.66536  -179.93147
   73    72 S   HC   _H3_    52     1.09306   109.88750    90.03680
   74    72 S   HC   _H4_    53     1.09439   110.77347  -149.54848
   75    72 S   HC   _H5_    54     1.09434   110.77428   -30.51176
   76    71 S   OH   _O39    49     1.36447   119.87202    -0.03426
   77    76 S   HO   _H19    50     0.96896   110.06523  -180.00000
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   2   1   1  11   5   5   1  12   4  15  18  11   3   6   2
   1   1  11   6  13   4   1   5   4  11   4   6   4   3   2   1
   1   7   3   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    45    52    56    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    43    45    46    52    56    57    62    39    40  
   35    36  
   36  
    0  
   38    41    42    43    44    45    52    56    47    39    40  
   41    42    43    52    39  
   40    41    45    52    56  
   52  
   42    43    44    51    71    45    46    52    47    48    49    50  
   43    44    45    47  
   44    51    53    66    71    76    54    45    46    52    56    47    48    49    50  
   51    53    58    66    71    76    77    72    60    54    55    45    46    52    47    48    49    50  
   46    52    56    57    62    47    48    49    50    51    71  
   52    56    47  
   48    49    50    51    52    71  
   49    50  
   50  
    0  
   53    58    59    66    71    76    60    61    67    54    55  
   56    57    62    63    64    65  
   58    59    66    71    72    60    61    67    68    69    70    54    55  
   55    58    60    71  
    0  
   57    62    63    64    65  
   62    63    64    65  
   59    66    71    76    72    73    74    75    60    61    67  
   66    71    72    60  
   61    67    68    69    70    66  
   67    68    69    70  
   63    64    65  
   64    65  
   65  
    0  
   71    76    77    72    73    74    75  
   68    69    70  
   69    70  
   70  
    0  
   76    77    72    73    74    75  
   73    74    75    76  
   74    75  
   75  
    0  
   77  
    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   0.432500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   60   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    52   317.000  1.510
   33    39   320.000  1.410
   37    38   340.000  1.080
   37    41   549.000  1.340
   41    42   340.000  1.080
   41    43   317.000  1.510
   43    44   317.000  1.510
   43    45   270.000  1.512
   43    47   268.000  1.529
   44    51   469.000  1.400
   44    71   469.000  1.400
   51    53   469.000  1.400
   51    54   450.000  1.364
   53    58   469.000  1.400
   53    60   310.000  1.470
   58    59   450.000  1.364
   58    66   469.000  1.400
   66    71   469.000  1.400
   66    72   317.000  1.510
   71    76   450.000  1.364
   76    77   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   60    61   570.000  1.229
   60    67   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   54    55   553.000  0.945
   45    46   745.000  1.250
   45    52   465.000  1.376
   52    56   320.000  1.462
   56    57   570.000  1.229
   56    62   317.000  1.522
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   39    40   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  112.20000
   29    33    52    75.00000  112.20000
   29    33    39    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    52    45    70.00000  124.00000
   33    52    56    65.00000  116.34900
   33    39    40    55.00000  108.50000
   37    41    42    35.00000  120.00000
   37    41    43    70.00000  124.00000
   41    37    38    35.00000  120.00000
   41    43    44    70.00000  112.99600
   41    43    45    70.00000  110.12100
   41    43    47    70.00000  112.02700
   43    41    42    35.00000  117.00000
   43    44    51    70.00000  120.00000
   43    44    71    70.00000  120.00000
   43    45    46    85.00000  112.85300
   43    45    52    65.00000  122.18000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    50    37.50000  110.70000
   44    51    53    63.00000  120.00000
   44    51    54    70.00000  120.00000
   44    71    66    63.00000  120.00000
   44    71    76    70.00000  120.00000
   51    53    58    63.00000  120.00000
   51    53    60    60.00000  119.52600
   51    54    55    35.00000  113.00000
   53    58    59    70.00000  120.00000
   53    58    66    63.00000  120.00000
   53    60    61    75.00000  123.78400
   53    60    67    65.00000  115.47100
   58    66    71    63.00000  120.00000
   58    66    72    70.00000  120.00000
   66    58    59    70.00000  120.00000
   66    71    76    70.00000  120.00000
   66    72    73    35.00000  109.50000
   66    72    74    35.00000  109.50000
   66    72    75    35.00000  109.50000
   71    44    51    63.00000  120.00000
   71    76    77    35.00000  113.00000
   72    66    71    70.00000  120.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   60    53    58    60.00000  119.52600
   60    67    68    35.00000  109.50000
   60    67    69    35.00000  109.50000
   60    67    70    35.00000  109.50000
   67    60    61    80.00000  120.40000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   54    51    53    70.00000  120.00000
   45    43    44    70.00000  112.99600
   45    52    56    60.00000  125.92000
   52    33    37    70.00000  110.12100
   52    45    46    65.00000  137.10300
   52    56    57    80.00000  123.72100
   52    56    62    65.00000  118.62400
   56    62    63    35.00000  109.50000
   56    62    64    35.00000  109.50000
   56    62    65    35.00000  109.50000
   62    56    57    80.00000  120.40000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   47    43    44    70.00000  112.17500
   47    43    45    70.00000  112.02700
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   39    33    37    90.00000  110.39200
   39    33    52    90.00000  110.39200
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    52  -0.62250  1.0 1.0
   24    29    33    52  -0.38450 -1.0 2.0
   24    29    33    52   0.81900  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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   0.00000  1.0 1.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    52    45   0.42700  1.0 1.0
   29    33    52    45  -0.70350 -1.0 2.0
   29    33    52    45  -0.43150  1.0 3.0
   29    33    52    56   0.09700  1.0 1.0
   29    33    52    56   0.15600 -1.0 2.0
   29    33    52    56  -0.50800  1.0 3.0
   29    33    39    40   0.35600  1.0 1.0
   29    33    39    40  -0.10750 -1.0 2.0
   29    33    39    40  -0.54400  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    43   7.00000 -1.0 2.0
   33    52    56    57  -0.64400  1.0 1.0
   33    52    56    57   0.26850 -1.0 2.0
   33    52    56    62   0.25700  1.0 1.0
   33    52    56    62   0.66200 -1.0 2.0
   33    52    56    62   0.04450  1.0 3.0
   37    33    52    45  -0.28300  1.0 1.0
   37    33    52    45   0.26700 -1.0 2.0
   37    33    52    45  -0.63300  1.0 3.0
   37    33    52    56   0.09700  1.0 1.0
   37    33    52    56   0.15600 -1.0 2.0
   37    33    52    56  -0.50800  1.0 3.0
   37    33    39    40  -0.07800  1.0 1.0
   37    33    39    40  -0.21500 -1.0 2.0
   37    33    39    40  -0.03150  1.0 3.0
   37    41    43    44   1.44450  1.0 1.0
   37    41    43    44   0.06600 -1.0 2.0
   37    41    43    44   0.29250  1.0 3.0
   37    41   -43    45  -0.28300  1.0 1.0
   37    41   -43    45   0.26700 -1.0 2.0
   37    41   -43    45  -0.63300  1.0 3.0
   37    41    43    47   0.09850  1.0 1.0
   37    41    43    47   0.15250 -1.0 2.0
   37    41    43    47  -0.50650  1.0 3.0
   38    37    41    42   7.00000 -1.0 2.0
   38    37    41    43   7.00000 -1.0 2.0
   41    43    44    51   0.18050 -1.0 2.0
   41    43    44    71   0.18050 -1.0 2.0
   41    43    45    46   0.09700  1.0 1.0
   41    43    45    46   0.15600 -1.0 2.0
   41    43    45    46  -0.50800  1.0 3.0
   41    43    45    52  -0.28300  1.0 1.0
   41    43    45    52   0.26700 -1.0 2.0
   41    43    45    52  -0.63300  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43    47    49   0.15000  1.0 3.0
   41    43    47    50   0.15000  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    47   0.00000  1.0 1.0
   43    44    51    53   3.62500 -1.0 2.0
   43    44    51    54   3.62500 -1.0 2.0
   43    44    71    66   3.62500 -1.0 2.0
   43    44    71    76   3.62500 -1.0 2.0
   43    45   -52    33   7.00000 -1.0 2.0
   43    45    52    56   7.00000 -1.0 2.0
   44    43    45    46   0.09700  1.0 1.0
   44    43    45    46   0.15600 -1.0 2.0
   44    43    45    46  -0.50800  1.0 3.0
   44    43    45    52   1.44450  1.0 1.0
   44    43    45    52   0.06600 -1.0 2.0
   44    43    45    52   0.29250  1.0 3.0
   44    43    47    48   0.43200  1.0 3.0
   44    43    47    49   0.43200  1.0 3.0
   44    43    47    50   0.43200  1.0 3.0
   44    51    53    58   3.62500 -1.0 2.0
   44    51    53    60   3.62500 -1.0 2.0
   44    51    54    55   0.84100 -1.0 2.0
   44    71    76    77   0.84100 -1.0 2.0
   51    44    71    66   3.62500 -1.0 2.0
   51    44    71    76   3.62500 -1.0 2.0
   51    53    58    59   3.62500 -1.0 2.0
   51    53   -58    66   3.62500 -1.0 2.0
   51    53    60    61   1.05000 -1.0 2.0
   51    53    60    67   2.26350  1.0 1.0
   51    53    60    67   0.76750 -1.0 2.0
   51    53    60    67   0.22500  1.0 3.0
   53    51    54    55   0.84100 -1.0 2.0
   53    58    66    71   3.62500 -1.0 2.0
   53    58    66    72   3.62500 -1.0 2.0
   53    60    67    68   0.00000  1.0 1.0
   53    60    67    69   0.00000  1.0 1.0
   53    60    67    70   0.00000  1.0 1.0
   58    53    60    61   1.05000 -1.0 2.0
   58    53    60    67   2.26350  1.0 1.0
   58    53    60    67   0.76750 -1.0 2.0
   58    53    60    67   0.22500  1.0 3.0
   58    66   -71    44   3.62500 -1.0 2.0
   58    66    71    76   3.62500 -1.0 2.0
   58    66    72    73   0.00000  1.0 1.0
   58    66    72    74   0.00000  1.0 1.0
   58    66    72    75   0.00000  1.0 1.0
   59    58    66    71   3.62500 -1.0 2.0
   59    58    66    72   3.62500 -1.0 2.0
   66    71    76    77   0.84100 -1.0 2.0
   71    44   -51    53   3.62500 -1.0 2.0
   71    44    51    54   3.62500 -1.0 2.0
   71    66    72    73   0.00000  1.0 1.0
   71    66    72    74   0.00000  1.0 1.0
   71    66    72    75   0.00000  1.0 1.0
   72    66    71    44   3.62500 -1.0 2.0
   72    66    71    76   3.62500 -1.0 2.0
   60    53    58    59   3.62500 -1.0 2.0
   60    53    58    66   3.62500 -1.0 2.0
   61    60    67    68   0.00000  1.0 1.0
   61    60    67    69   0.00000  1.0 1.0
   61    60    67    70   0.00000  1.0 1.0
   54    51    53    58   3.62500 -1.0 2.0
   54    51    53    60   3.62500 -1.0 2.0
   45    43    44    51   0.18050 -1.0 2.0
   45    43    44    71   0.18050 -1.0 2.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    49   0.15000  1.0 3.0
   45    43    47    50   0.15000  1.0 3.0
   45    52    56    57   1.00000 -1.0 2.0
   45    52    56    62  -0.33500  1.0 1.0
   45    52    56    62   1.06600 -1.0 2.0
   45    52    56    62  -0.14000  1.0 3.0
   46    45    52    33   7.00000 -1.0 2.0
   46    45    52    56   7.00000 -1.0 2.0
   52    33    37    38   0.00000  1.0 1.0
   52    33   -37    41  -0.28300  1.0 1.0
   52    33   -37    41   0.26700 -1.0 2.0
   52    33   -37    41  -0.63300  1.0 3.0
   52    33    39    40  -0.07800  1.0 1.0
   52    33    39    40  -0.21500 -1.0 2.0
   52    33    39    40  -0.03150  1.0 3.0
   52    56    62    63   0.00000  1.0 1.0
   52    56    62    64   0.00000  1.0 1.0
   52    56    62    65   0.00000  1.0 1.0
   57    56    62    63   0.00000  1.0 1.0
   57    56    62    64   0.00000  1.0 1.0
   57    56    62    65   0.00000  1.0 1.0
   47    43    44    51   0.04150 -1.0 2.0
   47    43    44    71   0.04150 -1.0 2.0
   47    43    45    46   0.09700  1.0 1.0
   47    43    45    46   0.15600 -1.0 2.0
   47    43    45    46  -0.50800  1.0 3.0
   47    43    45    52   0.09850  1.0 1.0
   47    43    45    52   0.15250 -1.0 2.0
   47    43    45    52  -0.50650  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41   0.67800  1.0 1.0
   39    33    37    41   0.47050 -1.0 2.0
   39    33    37    41  -0.62500  1.0 3.0
   39    33    52    45   0.67800  1.0 1.0
   39    33    52    45   0.47050 -1.0 2.0
   39    33    52    45  -0.62500  1.0 3.0
   39    33    52    56   0.09700  1.0 1.0
   39    33    52    56   0.15600 -1.0 2.0
   39    33    52    56  -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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   43    42    41    37   1.10000 -1.0 2.0
   51    71    44    43   4.00000 -1.0 2.0
   53    54    51    44   4.00000 -1.0 2.0
   58    60    53    51   4.00000 -1.0 2.0
   66    59    58    53   4.00000 -1.0 2.0
   71    72    66    58   4.00000 -1.0 2.0
   66    76    71    44   4.00000 -1.0 2.0
   53    67    60    61  10.50000 -1.0 2.0
   43    46    45    52   1.10000 -1.0 2.0
   33    56    52    45   1.10000 -1.0 2.0
   52    62    56    57  10.50000 -1.0 2.0
END
