* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    134    206     386
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02047   104.96953     3.39632
    3     1 S   H    _H1_     3     1.02106    45.82163   105.15185
    4     1 S   H    _H2_     4     1.02152    66.98735  -100.91511
    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     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   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     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   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   CM   _C6_    36     1.75485    98.87345   161.84119
   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   _C5_    37     1.35305   120.50718   -89.96823
   38    37 S   CM   _C18    38     1.45853   121.24803  -178.71154
   39    38 S   Br   Br1_    39     1.87342   119.37422  -165.48213
   40    37 S   OS   _O33    70     1.38324   121.70842     1.43436
   41    38 S   CM   _C17    40     1.34477   120.25944    16.15360
   42    41 S   HC   _H17    41     1.08738   120.22519   177.08671
   43    40 S   CT   _C4_    71     1.40573   112.59566   -90.15550
   44    43 S   HC   _H4_    72     1.09271   109.55422  -180.00000
   45    43 S   HC   _H5_    73     1.09320   109.56710    59.22248
   46    43 S   HC   _H6_    74     1.09332   109.01465   -60.42664
   47    41 S   CT   _C8_    42     1.51915   122.00954    -1.24364
   48    47 S   CT   _C9_    43     1.53394   112.86890  -156.42619
   49    48 S   HC   _H7_    44     1.09534   113.36666   156.34311
   50    48 S   HC   _H8_    45     1.09307   114.19521    29.03633
   51    33 S   CT   _C7_    67     1.53888   117.73770    92.15362
   52    51 S   OM   _O36    68     1.32679   106.11495   -88.26596
   53    51 S   HC   _H3_    69     1.10150   105.82425    39.73231
   54    48 S   CD   _C10    46     1.47462    98.41081   -90.32749
   55    54 S   NI   _N4_    47     1.28647   116.86340   -16.38267
   56    54 S   C    _C11    49     1.47673   121.05617   165.66717
   57    56 S   O    _O35    50     1.22445   120.53671  -120.13324
   58    47 S   OS   _O34    48     1.46011   106.09869    91.48621
   59    56 S   N    _N5_    51     1.37991   112.51341    59.95885
   60    59 S   H    _H9_    52     1.01559   118.71541    -0.07913
   61    59 S   CT   _C12    53     1.44580   122.66034   179.85735
   62    61 S   HC   _H10    54     1.09472   107.02453   -30.86607
   63    61 S   HC   _H11    55     1.09409   107.41861  -147.22269
   64    61 S   CT   _C13    56     1.52054   112.00469    90.02027
   65    64 S   HC   _H12    57     1.09475   109.80266   179.60336
   66    64 S   HC   _H13    58     1.09401   111.28459   -59.78453
   67    64 S   C5B  _C14    59     1.49299   110.62651    60.94752
   68    67 S   C5A  _C15    60     1.48870   122.78916   -90.01537
   69    68 S   HA   _H14    61     1.09188   125.01238    -0.55391
   70    68 S   NA   _N6_    62     1.27975   106.57342   179.44257
   71    70 S   H    _H15    63     1.01624   128.95515  -179.96044
   72    70 S   CRA  _C16    64     1.56828   104.61135    -0.04423
   73    72 S   HA   _H16    65     1.09849   122.71877  -179.96574
   74    67 S   N5B  _N7_    66     1.37850   124.35866    89.29175
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   8   5   4   3
  12   2   1   1  13   9   4   6  11   4   3   2   1   1  10  11
   6   5   5   2   1   7   4   8   3   1   8   4   8   5   4   8
   4   3   7   6   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    51    52    53    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    47    48    58    51    52    53    40    43  
   35    36  
   36  
    0  
   38    39    41    42    47    51    52    53    40    43    44    45    46  
   39    41    42    47    48    58    51    40    43  
   41    42    47    40  
   43    44    45    46    41    51  
   42    47    48    49    50    54    55    58    51    52    53  
   47    48    58    51  
   44    45    46  
   45    46  
   46  
    0  
   48    49    50    54    55    58    56    51    52    53  
   49    50    54    55    58    56    57    59    51    52    53  
   50    54    55    58    56    51  
   54    55    58    56    51  
   52    53    54    55    58  
   53    58  
   58  
   55    58    56    57    59    60    61  
   58    56    57    59  
   57    59    60    61    62    63    64    58  
   59    60    61  
    0  
   60    61    62    63    64    65    66    67  
   61    62    63    64  
   62    63    64    65    66    67    68    74  
   63    64    65    66    67  
   64    65    66    67  
   65    66    67    68    69    70    72    74  
   66    67    68    74  
   67    68    74  
   68    69    70    71    72    73    74  
   69    70    71    72    73    74  
   70    71    72    74  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    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   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   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   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760   0.179500   2.0020   1.7750   0.023028004  -0.852763146
   39   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   40   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   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   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660  -0.083900   1.9750   1.7500   0.005000000  -0.741685710
   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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   53   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.353600   2.0020   1.7750   0.023028004  -0.852763146
   55   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   56   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   58   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   59   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   60   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   61   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660   0.008100   2.4950   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5500   0.0700   0.131900   2.0020   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.286000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.187000   1.3810   1.2100   0.030040813   0.268726247
   70   3.2500   0.1700  -0.257000   1.8000   1.6000   0.001000000  -0.511443539
   71   0.5000   0.0300   0.306000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0700   0.275000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.078000   1.3810   1.2100   0.030040813   0.268726247
   74   3.2500   0.1700  -0.563000   1.8000   1.6000   0.001000000  -0.511443539
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   240.000  1.763
   33    37   549.000  1.340
   33    51   317.000  1.510
   37    38   380.000  1.444
   37    40   440.000  1.360
   38    39   165.000  1.979
   38    41   549.000  1.340
   41    42   340.000  1.080
   41    47   317.000  1.510
   47    48   268.000  1.529
   47    58   320.000  1.410
   47    51   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   270.000  1.508
   54    55   500.000  1.261
   54    56   270.000  1.486
   55    58   320.000  1.394
   56    57   570.000  1.229
   56    59   490.000  1.335
   59    60   434.000  1.010
   59    61   337.000  1.449
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   295.000  1.494
   67    68   520.000  1.370
   67    74   410.000  1.394
   68    69   367.000  1.080
   68    70   427.000  1.381
   70    71   434.000  1.010
   70    72   477.000  1.343
   72    73   367.000  1.080
   72    74   488.000  1.335
   51    52   570.000  1.307
   51    53   340.000  1.090
   40    43   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    65.00000  122.11800
   29    33    51    65.00000  117.37300
   33    37    38    70.00000  123.01800
   33    37    40    80.00000  120.01400
   33    51    47    70.00000  112.02700
   33    51    52    85.00000  110.90400
   33    51    53    35.00000  109.50000
   37    38    39    65.00000  115.01300
   37    38    41    70.00000  123.01800
   37    40    43    90.00000  111.18400
   38    41    42    35.00000  120.00000
   38    41    47    70.00000  124.00000
   41    38    39    65.00000  115.01300
   41    47    48    70.00000  112.02700
   41    47    58    85.00000  110.90400
   41    47    51    70.00000  112.02700
   47    41    42    35.00000  117.00000
   47    48    49    37.50000  110.70000
   47    48    50    37.50000  110.70000
   47    48    54    70.00000  111.76100
   47    58    55   110.00000  106.71400
   47    51    52    50.00000  109.50000
   47    51    53    37.50000  110.70000
   48    54    55    65.00000  122.10100
   48    54    56    60.00000  116.68000
   50    48    49    33.00000  107.80000
   54    48    49    45.00000  109.49600
   54    48    50    45.00000  109.49600
   54    55    58   100.00000  109.52600
   54    56    57    80.00000  120.45000
   54    56    59    75.00000  109.57000
   58    47    48    50.00000  109.50000
   56    54    55    65.00000  123.79500
   56    59    60    35.00000  119.80000
   56    59    61    50.00000  121.90000
   59    56    57    80.00000  122.90000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    64    70.00000  110.72300
   61    59    60    38.00000  118.40000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    70.00000  112.62400
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    67    68    55.00000  127.77900
   64    67    74    65.00000  120.63000
   66    64    65    33.00000  107.80000
   67    64    65    45.00000  111.11700
   67    64    66    45.00000  111.11700
   67    68    69    35.00000  130.70000
   67    68    70    70.00000  106.30000
   67    74    72    70.00000  110.00000
   68    70    71    35.00000  120.00000
   68    70    72    70.00000  109.80000
   70    68    69    35.00000  121.60000
   70    72    73    35.00000  120.00000
   70    72    74    70.00000  120.00000
   72    70    71    35.00000  120.00000
   74    67    68    70.00000  111.00000
   74    72    73    35.00000  120.00000
   51    33    37    70.00000  124.00000
   51    47    48    58.35000  112.70000
   51    47    58    50.00000  109.50000
   53    51    52    45.00000  125.66300
   40    37    38    80.00000  120.01400
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    46    35.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.00000  1.0 1.0
   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   1.00000 -1.0 2.0
   24    29    33    51   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   7.00000 -1.0 2.0
   29    33    37    40   7.00000 -1.0 2.0
   29    33    51    47   0.09700  1.0 1.0
   29    33    51    47   0.15600 -1.0 2.0
   29    33    51    47  -0.50800  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
   29    33    51    53   0.00000  1.0 1.0
   33    37    38    39  -0.18600  1.0 3.0
   33    37    38    41   0.28850  1.0 1.0
   33    37    38    41   2.61350 -1.0 2.0
   33    37    38    41   0.78400  1.0 3.0
   33    37    40    43  -2.26850  1.0 1.0
   33    37    40    43   3.39050 -1.0 2.0
   37    33    51    47   0.09850  1.0 1.0
   37    33    51    47   0.15250 -1.0 2.0
   37    33    51    47  -0.50650  1.0 3.0
   37    33    51    52   0.39000  1.0 1.0
   37    33    51    52  -0.05800 -1.0 2.0
   37    33    51    52  -0.55150  1.0 3.0
   37    33    51    53   0.00000  1.0 1.0
   37    38    41    42   7.00000 -1.0 2.0
   37    38   -41    47   7.00000 -1.0 2.0
   37    40    43    44   0.08050  1.0 3.0
   37    40    43    45   0.08050  1.0 3.0
   37    40    43    46   0.08050  1.0 3.0
   38    37    40    43  -2.26850  1.0 1.0
   38    37    40    43   3.39050 -1.0 2.0
   38    41    47    48   0.09850  1.0 1.0
   38    41    47    48   0.15250 -1.0 2.0
   38    41    47    48  -0.50650  1.0 3.0
   38    41    47    58   0.39000  1.0 1.0
   38    41    47    58  -0.05800 -1.0 2.0
   38    41    47    58  -0.55150  1.0 3.0
   38    41    47    51   0.09850  1.0 1.0
   38    41    47    51   0.15250 -1.0 2.0
   38    41    47    51  -0.50650  1.0 3.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    47   7.00000 -1.0 2.0
   41    47    48    49   0.15000  1.0 3.0
   41    47    48    50   0.15000  1.0 3.0
   41    47    48    54   0.31000  1.0 1.0
   41    47    48    54   0.14700 -1.0 2.0
   41    47    48    54   0.07550  1.0 3.0
   41    47    58    55   0.37500  1.0 3.0
   41    47   -51    33   0.31000  1.0 1.0
   41    47   -51    33   0.14700 -1.0 2.0
   41    47   -51    33   0.07550  1.0 3.0
   41    47    51    52   0.61850  1.0 1.0
   41    47    51    52  -0.22750 -1.0 2.0
   41    47    51    52   0.15300  1.0 3.0
   41    47    51    53   0.15000  1.0 3.0
   42    41    47    48   0.00000  1.0 1.0
   42    41    47    58   0.00000  1.0 1.0
   42    41    47    51   0.00000  1.0 1.0
   47    48   -54    55   0.00000  1.0 1.0
   47    48    54    56   0.00000  1.0 1.0
   48    47   -58    55   0.37500  1.0 3.0
   48    47    51    33   0.34400  1.0 1.0
   48    47    51    33   0.09450 -1.0 2.0
   48    47    51    33   0.11100  1.0 3.0
   48    47    51    52   0.62750  1.0 1.0
   48    47    51    52  -0.30950 -1.0 2.0
   48    47    51    52   0.27300  1.0 3.0
   48    47    51    53   0.15000  1.0 3.0
   48    54   -55    58   6.00000 -1.0 2.0
   48    54    56    57   1.00000 -1.0 2.0
   48    54    56    59   1.50000 -1.0 2.0
   49    48    54    55   0.00000  1.0 1.0
   49    48    54    56   0.00000  1.0 1.0
   50    48    54    55   0.00000  1.0 1.0
   50    48    54    56   0.00000  1.0 1.0
   54    55   -58    47   1.50000 -1.0 2.0
   54    56    59    60   2.56700 -1.0 2.0
   54    56    59    61   1.49850  1.0 1.0
   54    56    59    61   1.53950 -1.0 2.0
   55    54    56    57   1.00000 -1.0 2.0
   55    54    56    59   1.50000 -1.0 2.0
   58    47    48    49   0.23400  1.0 3.0
   58    47    48    50   0.23400  1.0 3.0
   58    47   -48    54   0.61850  1.0 1.0
   58    47   -48    54  -0.22750 -1.0 2.0
   58    47   -48    54   0.15300  1.0 3.0
   58    47    51    33   0.61850  1.0 1.0
   58    47    51    33  -0.22750 -1.0 2.0
   58    47    51    33   0.15300  1.0 3.0
   58    47    51    52   1.11900  1.0 1.0
   58    47    51    52  -1.16350 -1.0 2.0
   58    47    51    52  -0.34150  1.0 3.0
   58    47    51    53   0.23400  1.0 3.0
   56    54    55    58   6.00000 -1.0 2.0
   56    59    61    62   0.00000  1.0 1.0
   56    59    61    63   0.00000  1.0 1.0
   56    59    61    64  -0.43950  1.0 1.0
   56    59    61    64  -0.08100 -1.0 2.0
   56    59    61    64   0.03350  1.0 3.0
   57    56    59    60   2.45000 -1.0 2.0
   57    56    59    61   3.04450 -1.0 2.0
   59    61    64    65   0.15000  1.0 3.0
   59    61    64    66   0.15000  1.0 3.0
   59    61    64    67   0.08550  1.0 1.0
   59    61    64    67   1.07500 -1.0 2.0
   59    61    64    67  -0.10950  1.0 3.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63   0.00000  1.0 1.0
   60    59    61    64   0.00000  1.0 1.0
   61    64    67    68   0.04150 -1.0 2.0
   61    64    67    74   0.29300  1.0 1.0
   61    64    67    74  -1.19700 -1.0 2.0
   61    64    67    74   0.60900  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.43200  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    67   0.43200  1.0 3.0
   64    67    68    69   3.62500 -1.0 2.0
   64    67    68    70   3.62500 -1.0 2.0
   64    67    74    72   3.62500 -1.0 2.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    74   0.00000  1.0 1.0
   66    64    67    68   0.00000  1.0 1.0
   66    64    67    74   0.00000  1.0 1.0
   67    68    70    71   1.40000 -1.0 2.0
   67    68   -70    72   1.40000 -1.0 2.0
   68    67   -74    72   2.40000 -1.0 2.0
   68    70    72    73   2.32500 -1.0 2.0
   68    70   -72    74   2.32500 -1.0 2.0
   69    68    70    71   2.00000 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72   -74    67   5.00000 -1.0 2.0
   71    70    72    73   2.32500 -1.0 2.0
   71    70    72    74   2.32500 -1.0 2.0
   73    72    74    67   5.00000 -1.0 2.0
   74    67    68    69   3.62500 -1.0 2.0
   74    67   -68    70   5.37500 -1.0 2.0
   51    33   -37    38   7.00000 -1.0 2.0
   51    33    37    40   7.00000 -1.0 2.0
   51    47    48    49   0.15000  1.0 3.0
   51    47    48    50   0.15000  1.0 3.0
   51    47    48    54   0.34400  1.0 1.0
   51    47    48    54   0.09450 -1.0 2.0
   51    47    48    54   0.11100  1.0 3.0
   51    47    58    55   0.37500  1.0 3.0
   40    37    38    39   1.08500 -1.0 2.0
   40    37    38    41  -0.51250  1.0 1.0
   40    37    38    41   1.23350 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   29    51    33    37   1.10000 -1.0 2.0
   38    40    37    33   1.10000 -1.0 2.0
   37    39    38    41   1.10000 -1.0 2.0
   47    42    41    38   1.10000 -1.0 2.0
   48    56    54    55  10.50000 -1.0 2.0
   54    59    56    57  10.50000 -1.0 2.0
   60    56    59    61   1.00000 -1.0 2.0
   68    74    67    64   4.00000 -1.0 2.0
   70    69    68    67   1.10000 -1.0 2.0
   71    68    70    72   1.00000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
END
