* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    131    194     375
    1     0 S   NP   _N1_     1    28.80134    95.51296   -23.77882
    2     1 S   H    _HN1     2     1.02783   106.66108   -90.76846
    3     1 S   H    _H1_     3     1.02952    78.18140    15.08758
    4     1 S   H    _H2_     4     1.02830    31.34687   172.05063
    5     1 S   CT   _CA1     5     1.50110   134.11771   122.14205
    6     5 S   HC   _HA1     6     1.09572   105.21651    84.39671
    7     5 S   CO3  _C1_     7     1.53799   112.43906   -35.88146
    8     7 S   O2Z  _O11     8     1.26374   115.00537   -42.74613
    9     7 S   O2Z  _O12     9     1.26239   114.95204   136.42085
   10     5 S   CT   _CB1    10     1.53083   107.42963  -157.58646
   11    10 S   HC   HB11    11     1.09831   109.42358   -49.55350
   12    10 S   HC   HB12    12     1.09817   110.41833    67.06035
   13    10 S   CT   _CG1    13     1.52993   112.60030  -170.53647
   14    13 S   HC   HG11    14     1.09584   110.59522   -64.43459
   15    13 S   HC   HG12    15     1.09665   109.84092    54.80975
   16    13 S   C    _CD1    16     1.51791   112.24954   175.28669
   17    16 S   O    _OE1    17     1.22728   123.27132     4.81475
   18    16 S   N    _N2_    18     1.38660   111.64779  -175.38327
   19    18 S   H    _HN2    19     1.01586   118.97893     1.85425
   20    18 S   CT1  _CA2    20     1.46196   123.35350   178.48535
   21    20 S   HC   _HA2    21     1.09744   109.32951    -0.84209
   22    20 S   C    _C2_    22     1.53473   108.60493  -116.30916
   23    22 S   O    _O2_    23     1.23047   122.30471  -148.13401
   24    20 S   CT   _CB2    32     1.53316   111.62679   121.08147
   25    24 S   HC   HB21    33     1.09576   110.25044    56.88894
   26    24 S   HC   HB22    34     1.09509   110.09967   176.05514
   27    22 S   N    _N3_    24     1.38340   113.62742    39.33612
   28    27 S   H    _HN3    25     1.01604   119.54954    -3.50978
   29    24 S   S    _SG2    35     1.82431   111.44236   -64.02936
   30    27 S   CT   _CA3    26     1.45283   123.17077   177.01272
   31    30 S   HC   HA31    27     1.09551   107.51366   -64.14242
   32    30 S   HC   HA32    28     1.09557   107.96956    52.27745
   33    29 S   CT   _C17    36     1.82801    99.02654  -179.31016
   34    33 S   F    F1__    37     1.36806   107.66556   -58.96571
   35    33 S   F    F2__    38     1.36262   109.24300    53.56651
   36    30 S   CO3  _C3_    29     1.52945   114.11222   174.25407
   37    36 S   O2Z  _O31    30     1.26372   116.07040    -1.29709
   38    36 S   O2Z  _O32    31     1.26431   114.40940   178.77411
   39    33 S   CA   _C16    39     1.51790   110.48056   178.41489
   40    39 S   CA   _C15    40     1.41196   116.83347    96.08932
   41    40 S   HA   _H14    41     1.08865   120.19875     0.03426
   42    40 S   CA   _C14    42     1.39346   121.68886  -179.91153
   43    42 S   HA   _H13    43     1.08603   120.07037  -179.87180
   44    42 S   CA   _C13    44     1.38610   119.73257     0.08847
   45    44 S   HA   _H12    45     1.08600   120.20687  -179.86730
   46    44 S   CA   _C12    46     1.39343   119.73061     0.30901
   47    46 S   HA   _H11    47     1.08846   117.87892   179.78878
   48    39 S   CA   _C11    48     1.41679   124.44585   -82.92782
   49    48 S   CT   _C7_    49     1.53651   123.73934    -0.18975
   50    49 S   HC   _H3_    50     1.09414   110.75386     4.00995
   51    49 S   CM   _C6_    51     1.53548   111.46750   120.56448
   52    51 S   CM   _C5_    52     1.35389   122.15121   119.23030
   53    51 S   CO4  _C18    68     1.47567   117.63415   -64.35738
   54    53 S   O    _O35    69     1.22088   123.47946   -84.72745
   55    52 S   NE   _N4_    53     1.38782   119.90722     0.98834
   56    55 S   H    _H7_    54     1.01447   117.71916   179.43977
   57    52 S   CT   _C4_    64     1.50531   124.83632   179.66662
   58    57 S   HC   _H4_    65     1.09543   109.98919   120.74830
   59    57 S   HC   _H5_    66     1.09320   113.59236     0.38967
   60    57 S   HC   _H6_    67     1.09544   110.07629  -120.06137
   61    53 S   OS   _O36    70     1.35726   108.80622    95.25144
   62    55 S   CM   _C9_    55     1.38811   124.32474     4.51865
   63    61 S   CT   _C19    71     1.43007   115.00117  -179.36665
   64    63 S   HC   _H15    72     1.09324   108.09564   179.09065
   65    63 S   HC   _H16    73     1.09413   110.42437    60.37329
   66    63 S   HC   _H17    74     1.09421   110.23283   -62.22765
   67    49 S   CM   _C8_    56     1.51997   111.51283  -115.29164
   68    62 S   CT   _C10    60     1.50508   115.33624   173.98419
   69    68 S   HC   _H8_    61     1.09576   110.09030   -51.79057
   70    68 S   HC   _H9_    62     1.09296   113.72943  -171.67220
   71    68 S   HC   _H10    63     1.09516   109.95870    67.32048
   72    67 S   NO2  _N5_    57     1.43869   116.42541    62.38636
   73    72 S   ON   _O34    58     1.23749   117.19874  -106.56310
   74    72 S   ON   _O33    59     1.23654   116.80348    72.97438
  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   6   5   4   3
   9   4   3   2   1   1  12   8   4   6   3   5   3   6   2   8
  14   6  14  12   9   2  12   4   4   2   1   1   4   8   3   2
   1   1   7   4   2   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    46    48    49  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    42    43    44    46    47    48    49    50    51    67  
   41    42    43    44    45    46    48    49  
   42    43    44    48  
   43    44    45    46    47    48  
   44    45    46  
   45    46    47    48    49  
   46    47    48  
   47    48    49    50    51    67  
   48    49  
   49    50    51    52    62    67    72    53  
   50    51    52    55    62    67    72    73    74    68    57    53    54    61  
   51    52    62    67    72    53  
   52    55    56    62    67    72    57    58    59    60    53    54    61    63  
   55    56    62    67    68    57    58    59    60    53    54    61  
   54    61    63    64    65    66    55    57    67  
   61    63  
   56    62    67    72    68    69    70    71    57    58    59    60  
   62    67    68    57  
   58    59    60    62  
   59    60  
   60  
    0  
   63    64    65    66  
   67    72    73    74    68    69    70    71  
   64    65    66  
   65    66  
   66  
    0  
   72    73    74    68    69    70    71  
   69    70    71    72  
   70    71  
   71  
    0  
   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   3.2500   0.0620   0.407500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0700  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.2500   0.1700  -0.389700   1.8650   1.6500   0.051222218  -2.220205820
   56   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   62   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5500   0.0760   0.290900   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.2500   0.1200   0.449100   1.8650   1.6500   0.020864068  -0.347800883
   73   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   74   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    48   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   317.000  1.510
   49    50   340.000  1.090
   49    51   317.000  1.510
   49    67   317.000  1.510
   51    52   549.000  1.340
   51    53   320.000  1.462
   52    55   425.000  1.378
   52    57   317.000  1.510
   55    56   434.000  1.010
   55    62   425.000  1.378
   62    67   549.000  1.340
   62    68   317.000  1.510
   67    72   325.000  1.425
   72    73   550.000  1.225
   72    74   550.000  1.225
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   53    54   570.000  1.229
   53    61   214.000  1.327
   61    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    48    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    48    46    63.00000  120.00000
   39    48    49    70.00000  120.00000
   40    42    43    35.00000  120.00000
   40    42    44    63.00000  120.00000
   42    40    41    35.00000  120.00000
   42    44    45    35.00000  120.00000
   42    44    46    63.00000  120.00000
   44    42    43    35.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    48    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    48    49    70.00000  120.00000
   48    39    40    63.00000  120.00000
   48    46    47    35.00000  120.00000
   48    49    50    35.00000  109.50000
   48    49    51    70.00000  112.99600
   48    49    67    70.00000  112.99600
   49    51    52    70.00000  124.00000
   49    51    53    65.00000  116.34900
   49    67    62    70.00000  124.00000
   49    67    72    70.00000  113.98000
   51    49    50    35.00000  109.50000
   51    52    55    70.00000  124.03900
   51    52    57    70.00000  124.00000
   51    53    54    80.00000  123.72100
   51    53    61    90.00000  111.29400
   52    55    56    35.00000  114.50000
   52    55    62    75.00000  118.45600
   52    57    58    35.00000  109.50000
   52    57    59    35.00000  109.50000
   52    57    60    35.00000  109.50000
   55    62    67    70.00000  124.03900
   55    62    68    75.00000  116.24600
   62    55    56    35.00000  114.50000
   62    67    72    70.00000  118.30600
   62    68    69    35.00000  109.50000
   62    68    70    35.00000  109.50000
   62    68    71    35.00000  109.50000
   67    49    50    35.00000  109.50000
   67    49    51    70.00000  110.12100
   67    72    73    90.00000  119.02900
   67    72    74    90.00000  119.02900
   74    72    73    80.00000  125.30000
   68    62    67    70.00000  124.00000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   57    52    55    75.00000  116.24600
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   53    51    52    65.00000  118.96000
   53    61    63    83.00000  116.90000
   61    53    54    83.00000  123.40000
   61    63    64    35.00000  109.50000
   61    63    65    35.00000  109.50000
   61    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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    39    40  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    48  -0.16000  1.0 1.0
   29    33    39    48  -0.03200 -1.0 2.0
   29    33    39    48   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    48    46   3.62500 -1.0 2.0
   33    39    48    49   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    48   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    44   3.62500 -1.0 2.0
   39    48    49    50   0.00000  1.0 1.0
   39    48    49    51   0.18050 -1.0 2.0
   39    48    49    67   0.18050 -1.0 2.0
   40    39    48    46   3.62500 -1.0 2.0
   40    39    48    49   3.62500 -1.0 2.0
   40    42    44    45   3.62500 -1.0 2.0
   40    42   -44    46   3.62500 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    44   3.62500 -1.0 2.0
   42    44    46    47   3.62500 -1.0 2.0
   42    44    46    48   3.62500 -1.0 2.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    46   3.62500 -1.0 2.0
   44    46   -48    39   3.62500 -1.0 2.0
   44    46    48    49   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48    49    50   0.00000  1.0 1.0
   46    48    49    51   0.18050 -1.0 2.0
   46    48    49    67   0.18050 -1.0 2.0
   47    46    48    39   3.62500 -1.0 2.0
   47    46    48    49   3.62500 -1.0 2.0
   48    39    40    41   3.62500 -1.0 2.0
   48    39   -40    42   3.62500 -1.0 2.0
   48    49    51    52   1.44450  1.0 1.0
   48    49    51    52   0.06600 -1.0 2.0
   48    49    51    52   0.29250  1.0 3.0
   48    49    51    53   0.09700  1.0 1.0
   48    49    51    53   0.15600 -1.0 2.0
   48    49    51    53  -0.50800  1.0 3.0
   48    49    67    62   1.44450  1.0 1.0
   48    49    67    62   0.06600 -1.0 2.0
   48    49    67    62   0.29250  1.0 3.0
   48    49    67    72   0.09700  1.0 1.0
   48    49    67    72   0.15600 -1.0 2.0
   48    49    67    72  -0.50800  1.0 3.0
   49    51    52    55   7.00000 -1.0 2.0
   49    51    52    57   7.00000 -1.0 2.0
   49    51    53    54  -0.64400  1.0 1.0
   49    51    53    54   0.26850 -1.0 2.0
   49    51    53    61  -0.15000  1.0 1.0
   49    51    53    61   0.89550 -1.0 2.0
   49    51    53    61  -0.06900  1.0 3.0
   49    67    72    73   0.01550  1.0 1.0
   49    67    72    73   0.69950 -1.0 2.0
   49    67    72    73   0.02600  1.0 3.0
   49    67    72    74   0.01550  1.0 1.0
   49    67    72    74   0.69950 -1.0 2.0
   49    67    72    74   0.02600  1.0 3.0
   50    49    51    52   0.00000  1.0 1.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    67    62   0.00000  1.0 1.0
   50    49    67    72   0.00000  1.0 1.0
   51    49    67    62  -0.28300  1.0 1.0
   51    49    67    62   0.26700 -1.0 2.0
   51    49    67    62  -0.63300  1.0 3.0
   51    49    67    72   0.09700  1.0 1.0
   51    49    67    72   0.15600 -1.0 2.0
   51    49    67    72  -0.50800  1.0 3.0
   51    52    55    56   1.00000 -1.0 2.0
   51    52   -55    62  -0.54500  1.0 1.0
   51    52   -55    62   1.14150 -1.0 2.0
   51    52    57    58   0.00000  1.0 1.0
   51    52    57    59   0.00000  1.0 1.0
   51    52    57    60   0.00000  1.0 1.0
   51    53    61    63   2.00000 -1.0 2.0
   52    51    53    54   1.00000 -1.0 2.0
   52    51    53    61  -0.56150  1.0 1.0
   52    51    53    61   2.19150 -1.0 2.0
   52    55    62    67  -0.54500  1.0 1.0
   52    55    62    67   1.14150 -1.0 2.0
   52    55    62    68   1.00000 -1.0 2.0
   55    52    57    58  -0.18050  1.0 3.0
   55    52    57    59  -0.18050  1.0 3.0
   55    52    57    60  -0.18050  1.0 3.0
   55    62   -67    49   7.00000 -1.0 2.0
   55    62    67    72   7.00000 -1.0 2.0
   55    62    68    69  -0.18050  1.0 3.0
   55    62    68    70  -0.18050  1.0 3.0
   55    62    68    71  -0.18050  1.0 3.0
   56    55    62    67   1.00000 -1.0 2.0
   56    55    62    68   2.40850 -1.0 2.0
   62    67    72    73   0.65450 -1.0 2.0
   62    67    72    74   0.65450 -1.0 2.0
   67    49   -51    52  -0.28300  1.0 1.0
   67    49   -51    52   0.26700 -1.0 2.0
   67    49   -51    52  -0.63300  1.0 3.0
   67    49    51    53   0.09700  1.0 1.0
   67    49    51    53   0.15600 -1.0 2.0
   67    49    51    53  -0.50800  1.0 3.0
   67    62    68    69   0.00000  1.0 1.0
   67    62    68    70   0.00000  1.0 1.0
   67    62    68    71   0.00000  1.0 1.0
   68    62    67    49   7.00000 -1.0 2.0
   68    62    67    72   7.00000 -1.0 2.0
   57    52    55    56   2.40850 -1.0 2.0
   57    52    55    62   1.00000 -1.0 2.0
   53    51    52    55   7.00000 -1.0 2.0
   53    51    52    57   7.00000 -1.0 2.0
   53    61    63    64   0.08050  1.0 3.0
   53    61    63    65   0.08050  1.0 3.0
   53    61    63    66   0.08050  1.0 3.0
   54    53    61    63   3.00000 -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
   37    30    36    38  10.50000 -1.0 2.0
   40    48    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
   46    45    44    42   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   46    49    48    39   4.00000 -1.0 2.0
   49    53    51    52   1.10000 -1.0 2.0
   57    55    52    51   1.10000 -1.0 2.0
   56    52    55    62   1.00000 -1.0 2.0
   55    68    62    67   1.10000 -1.0 2.0
   49    72    67    62   1.10000 -1.0 2.0
   73    67    72    74  10.50000 -1.0 2.0
   51    61    53    54  10.50000 -1.0 2.0
END
