* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    137    205     385
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02082    98.39776   -53.15478
    3     1 S   H    _H1_     3     1.02114    80.47914    54.54322
    4     1 S   H    _H2_     4     1.02097    35.85494  -163.53399
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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   167.74439
   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    57.98761
   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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12151
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32504
   25    24 S   HC   HB21    33     1.08733   110.25787    59.12706
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   27    22 S   N    _N3_    24     1.34263   118.97449    10.45205
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06898
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22029
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10345
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31071
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CA   _C9_    36     1.76488    99.65445   180.00000
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   37    33 S   CA   _C5_    37     1.39530   121.27014   119.92673
   38    37 S   CA   _C8_    38     1.39518   119.96174  -180.00000
   39    38 S   F    _F22    39     1.34011   120.49881  -179.94405
   40    37 S   CT   _C19    49     1.49587   121.96764     0.07662
   41    40 S   HC   _H40    50     1.09732   111.19096    44.96900
   42    40 S   HC   _H41    51     1.09711   110.93013   164.70216
   43    38 S   CA   _C6_    40     1.39432   120.00871     0.08156
   44    43 S   F    _F20    41     1.34067   119.57602  -179.97202
   45    40 S   OS   _O19    52     1.42099   109.20944   -75.13269
   46    43 S   CA   _C4_    42     1.39455   120.00517    -0.06853
   47    45 S   CO4  _C12    53     1.36798   115.80903  -179.94766
   48    47 S   O    _O18    54     1.22341   126.01153    -0.12511
   49    33 S   CA   _C7_    43     1.39432   118.70027   -59.98048
   50    49 S   F    _F21    44     1.34264   120.64020    -0.07133
   51    46 S   CT   _C16    45     1.49220   119.93314   179.97202
   52    51 S   HC   _H31    46     1.09690   110.34220    90.06608
   53    51 S   HC   _H32    47     1.09729   111.28375  -149.47166
   54    51 S   HC   _H33    48     1.09794   111.27678   -30.43924
   55    47 S   C3T  _C14    55     1.49870   109.91265   180.00000
   56    55 S   HC   _H30    56     1.08583   113.19557   -90.02710
   57    55 S   C3T  _C13    57     1.50020   118.76786    54.06147
   58    57 S   HC   _H29    58     1.08486   117.41151     3.20479
   59    55 S   C3T  _C15    59     1.50071   120.49249   124.30365
   60    57 S   CM   _C10    68     1.45482   118.64514  -138.85755
   61    60 S   HC   _H28    69     1.08857   114.40132    23.63809
   62    59 S   CT   _C17    60     1.49125   119.14704    -1.14055
   63    62 S   HC   _H34    61     1.10143   111.52760   110.84879
   64    62 S   HC   _H35    62     1.10135   111.53494    -9.10004
   65    62 S   HC   _H36    63     1.10146   111.57381  -129.11967
   66    59 S   CT   _C18    64     1.49306   117.37110   141.92857
   67    66 S   HC   _H37    65     1.10055   111.49863  -110.60185
   68    66 S   HC   _H38    66     1.10059   111.51613   129.37328
   69    66 S   HC   _H39    67     1.10057   111.51595     9.35276
   70    60 S   CM   _C11    70     1.34289   127.92197  -156.47980
   71    70 S   Cl   CL27    71     1.73363   121.25992     0.09065
   72    70 S   CT   _C20    72     1.49165   124.31110  -179.94766
   73    72 S   F    _F23    73     1.35810   111.81356  -179.96044
   74    72 S   F    _F24    74     1.35844   111.79378    60.32204
   75    72 S   F    _F25    75     1.35816   113.08988   -59.79103
  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   7   5   4   3
  12   2   1   1  12  10   4   8   3   2   8   3   6   6   9   4
   5   1   3   2   1   1  15   6  15   6  11   9   3   7   3   2
   1   3   2   1   1   5   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    49    50    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    46    49    50    51    40    41    42    45  
   35    36  
   36  
    0  
   38    39    43    44    46    49    50    40    41    42    45    47  
   39    43    44    46    49    51    40    41    42    45  
   43    44    46    40  
   41    42    45    47    48    55    43    49  
   42    45    47  
   45    47  
   44    46    49    50    51    52    53    54  
   46    49    51  
   47    48    55    56    57    59  
   49    50    51    52    53    54  
   48    55    56    57    58    59    62    66    60  
   55    56    57    59  
   50    51    52    53    54  
   51  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58    59    62    63    64    65    66    67    68    69    60    61    70  
   57    58    59    62    66    60  
   58    59    62    63    64    65    66    67    68    69    60    61    70    71    72  
   59    62    66    60    61    70  
   62    63    64    65    66    67    68    69    60    61    70  
   61    70    71    72    73    74    75    62    66  
   70    71    72  
   63    64    65    66    67    68    69  
   64    65    66  
   65    66  
   66  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    75  
   72    73    74    75  
   73    74    75  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.320000   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   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   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   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0700   0.130000   2.5000   1.7750   0.001000000  -0.843144165
   39   2.8500   0.0610  -0.130000   2.4980   2.2250   0.001000000   0.985400000
   40   3.5000   0.0660   0.231800   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0700   0.130000   2.5000   1.7750   0.001000000  -0.843144165
   44   2.8500   0.0610  -0.130000   2.4980   2.2250   0.001000000   0.985400000
   45   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5500   0.0700   0.220000   2.5000   1.7750   0.001000000  -0.843144165
   50   2.8500   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   51   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   72   3.2500   0.0620   0.600000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   74   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   75   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
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   250.000  1.760
   33    37   469.000  1.400
   33    49   469.000  1.400
   37    38   469.000  1.400
   37    40   317.000  1.510
   38    39   420.000  1.354
   38    43   469.000  1.400
   43    44   420.000  1.354
   43    46   469.000  1.400
   46    49   469.000  1.400
   46    51   317.000  1.510
   49    50   420.000  1.354
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   320.000  1.410
   45    47   214.000  1.327
   47    48   570.000  1.229
   47    55   290.000  1.496
   55    56   340.000  1.088
   55    57   260.000  1.509
   55    59   260.000  1.509
   57    58   340.000  1.088
   57    59   260.000  1.509
   57    60   305.000  1.480
   59    62   275.000  1.510
   59    66   275.000  1.510
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   60    61   340.000  1.080
   60    70   549.000  1.340
   70    71   300.000  1.725
   70    72   317.000  1.510
   72    73   367.000  1.332
   72    74   367.000  1.332
   72    75   367.000  1.332
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  104.20000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    85.00000  119.40000
   29    33    49    85.00000  119.40000
   33    37    38    63.00000  120.00000
   33    37    40    70.00000  120.00000
   33    49    46    63.00000  120.00000
   33    49    50    80.00000  120.00000
   37    38    39    80.00000  120.00000
   37    38    43    63.00000  120.00000
   37    40    41    35.00000  109.50000
   37    40    42    35.00000  109.50000
   37    40    45    85.00000  111.85700
   38    43    44    80.00000  120.00000
   38    43    46    63.00000  120.00000
   43    38    39    80.00000  120.00000
   43    46    49    63.00000  120.00000
   43    46    51    70.00000  120.00000
   46    43    44    80.00000  120.00000
   46    49    50    80.00000  120.00000
   46    51    52    35.00000  109.50000
   46    51    53    35.00000  109.50000
   46    51    54    35.00000  109.50000
   49    33    37    63.00000  120.00000
   51    46    49    70.00000  120.00000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   40    37    38    70.00000  120.00000
   40    45    47    83.00000  116.90000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    47    48    83.00000  123.40000
   45    47    55    81.00000  111.40000
   47    55    56    40.00000  116.18000
   47    55    57    65.00000  117.18000
   47    55    59    65.00000  117.18000
   55    47    48    75.00000  121.36600
   55    57    58    37.50000  117.20000
   55    57    59    10.00000   60.00500
   55    57    60    60.00000  120.58800
   55    59    57    10.00000   60.00500
   55    59    62    60.00000  120.94000
   55    59    66    60.00000  120.94000
   57    55    56    37.50000  117.20000
   57    59    62    60.00000  120.94000
   57    59    66    60.00000  120.94000
   57    60    61    40.00000  117.24000
   57    60    70    55.00000  125.06700
   59    55    56    37.50000  117.20000
   59    55    57    10.00000   60.00500
   59    57    58    37.50000  117.20000
   59    62    63    45.00000  109.38400
   59    62    64    45.00000  109.38400
   59    62    65    45.00000  109.38400
   59    66    67    45.00000  109.38400
   59    66    68    45.00000  109.38400
   59    66    69    45.00000  109.38400
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   66    59    62    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   60    57    58    40.00000  112.45000
   60    57    59    60.00000  120.58800
   60    70    71    75.00000  121.50000
   60    70    72    70.00000  124.00000
   70    60    61    35.00000  120.00000
   70    72    73    85.00000  110.69400
   70    72    74    85.00000  110.69400
   70    72    75    85.00000  110.69400
   72    70    71    75.00000  111.02000
   74    72    73    77.00000  109.10000
   75    72    73    77.00000  109.10000
   75    72    74    77.00000  109.10000
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  -0.35400  1.0 1.0
   20    24    29    33  -0.24450 -1.0 2.0
   20    24    29    33   0.44000  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   0.63250 -1.0 2.0
   24    29    33    49   0.63250 -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   3.62500 -1.0 2.0
   29    33    37    40   3.62500 -1.0 2.0
   29    33    49    46   3.62500 -1.0 2.0
   29    33    49    50   3.62500 -1.0 2.0
   33    37    38    39   3.62500 -1.0 2.0
   33    37    38    43   3.62500 -1.0 2.0
   33    37    40    41   0.00000  1.0 1.0
   33    37    40    42   0.00000  1.0 1.0
   33    37    40    45   0.64500  1.0 1.0
   33    37    40    45   0.14800 -1.0 2.0
   33    37    40    45   0.20650  1.0 3.0
   37    33    49    46   3.62500 -1.0 2.0
   37    33    49    50   3.62500 -1.0 2.0
   37    38    43    44   3.62500 -1.0 2.0
   37    38   -43    46   3.62500 -1.0 2.0
   37    40    45    47  -0.43900 -1.0 2.0
   37    40    45    47   0.14100  1.0 3.0
   38    37    40    41   0.00000  1.0 1.0
   38    37    40    42   0.00000  1.0 1.0
   38    37    40    45   0.64500  1.0 1.0
   38    37    40    45   0.14800 -1.0 2.0
   38    37    40    45   0.20650  1.0 3.0
   38    43    46    49   3.62500 -1.0 2.0
   38    43    46    51   3.62500 -1.0 2.0
   39    38    43    44   3.62500 -1.0 2.0
   39    38    43    46   3.62500 -1.0 2.0
   43    46   -49    33   3.62500 -1.0 2.0
   43    46    49    50   3.62500 -1.0 2.0
   43    46    51    52   0.00000  1.0 1.0
   43    46    51    53   0.00000  1.0 1.0
   43    46    51    54   0.00000  1.0 1.0
   44    43    46    49   3.62500 -1.0 2.0
   44    43    46    51   3.62500 -1.0 2.0
   49    33   -37    38   3.62500 -1.0 2.0
   49    33    37    40   3.62500 -1.0 2.0
   49    46    51    52   0.00000  1.0 1.0
   49    46    51    53   0.00000  1.0 1.0
   49    46    51    54   0.00000  1.0 1.0
   51    46    49    33   3.62500 -1.0 2.0
   51    46    49    50   3.62500 -1.0 2.0
   40    37    38    39   3.62500 -1.0 2.0
   40    37    38    43   3.62500 -1.0 2.0
   40    45    47    48   3.00000 -1.0 2.0
   40    45    47    55   1.63150  1.0 1.0
   40    45    47    55   2.92000 -1.0 2.0
   41    40    45    47   0.08050  1.0 3.0
   42    40    45    47   0.08050  1.0 3.0
   45    47    55    56   0.00000  1.0 1.0
   45    47    55    57   0.36750  1.0 3.0
   45    47    55    59   0.36750  1.0 3.0
   47    55    57    58   0.15000  1.0 3.0
   47    55   -57    59  -0.95700  1.0 1.0
   47    55   -57    59  -0.18200 -1.0 2.0
   47    55   -57    59   0.29450  1.0 3.0
   47    55    57    60  -0.98800  1.0 1.0
   47    55    57    60   0.48800 -1.0 2.0
   47    55    57    60   0.76800  1.0 3.0
   47    55   -59    57  -0.95700  1.0 1.0
   47    55   -59    57  -0.18200 -1.0 2.0
   47    55   -59    57   0.29450  1.0 3.0
   47    55    59    62  -0.95700  1.0 1.0
   47    55    59    62  -0.18200 -1.0 2.0
   47    55    59    62   0.29450  1.0 3.0
   47    55    59    66  -0.95700  1.0 1.0
   47    55    59    66  -0.18200 -1.0 2.0
   47    55    59    66   0.29450  1.0 3.0
   48    47    55    56   0.50000  1.0 3.0
   48    47    55    57   0.30150 -1.0 2.0
   48    47    55    59   0.30150 -1.0 2.0
   55    57   -59    62   0.07850  1.0 1.0
   55    57   -59    62  -0.03950 -1.0 2.0
   55    57   -59    62   0.67350  1.0 3.0
   55    57   -59    66   0.07850  1.0 1.0
   55    57   -59    66  -0.03950 -1.0 2.0
   55    57   -59    66   0.67350  1.0 3.0
   55    57    60    61   0.00000  1.0 1.0
   55    57    60    70   0.09850  1.0 1.0
   55    57    60    70   0.15250 -1.0 2.0
   55    57    60    70  -0.50650  1.0 3.0
   55    59    62    63   0.15000  1.0 3.0
   55    59    62    64   0.15000  1.0 3.0
   55    59    62    65   0.15000  1.0 3.0
   55    59    66    67   0.15000  1.0 3.0
   55    59    66    68   0.15000  1.0 3.0
   55    59    66    69   0.15000  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55   -57    59   0.15000  1.0 3.0
   56    55    57    60   0.15000  1.0 3.0
   56    55   -59    57   0.15000  1.0 3.0
   56    55    59    62   0.15000  1.0 3.0
   56    55    59    66   0.15000  1.0 3.0
   57    55   -59    62   0.07850  1.0 1.0
   57    55   -59    62  -0.03950 -1.0 2.0
   57    55   -59    62   0.67350  1.0 3.0
   57    55   -59    66   0.07850  1.0 1.0
   57    55   -59    66  -0.03950 -1.0 2.0
   57    55   -59    66   0.67350  1.0 3.0
   57    59    62    63   0.15000  1.0 3.0
   57    59    62    64   0.15000  1.0 3.0
   57    59    62    65   0.15000  1.0 3.0
   57    59    66    67   0.15000  1.0 3.0
   57    59    66    68   0.15000  1.0 3.0
   57    59    66    69   0.15000  1.0 3.0
   57    60    70    71   7.00000 -1.0 2.0
   57    60    70    72   7.00000 -1.0 2.0
   58    57   -59    55   0.15000  1.0 3.0
   58    57    59    62   0.15000  1.0 3.0
   58    57    59    66   0.15000  1.0 3.0
   58    57    60    61   0.33100  1.0 3.0
   58    57    60    70   0.00000  1.0 1.0
   59    55   -57    58   0.15000  1.0 3.0
   59    55   -57    60   0.34400  1.0 1.0
   59    55   -57    60   0.09450 -1.0 2.0
   59    55   -57    60   0.11100  1.0 3.0
   59    57    60    61   0.00000  1.0 1.0
   59    57    60    70   0.09850  1.0 1.0
   59    57    60    70   0.15250 -1.0 2.0
   59    57    60    70  -0.50650  1.0 3.0
   62    59    66    67   0.15000  1.0 3.0
   62    59    66    68   0.15000  1.0 3.0
   62    59    66    69   0.15000  1.0 3.0
   66    59    62    63   0.15000  1.0 3.0
   66    59    62    64   0.15000  1.0 3.0
   66    59    62    65   0.15000  1.0 3.0
   60    57   -59    55   0.34400  1.0 1.0
   60    57   -59    55   0.09450 -1.0 2.0
   60    57   -59    55   0.11100  1.0 3.0
   60    57    59    62   0.34400  1.0 1.0
   60    57    59    62   0.09450 -1.0 2.0
   60    57    59    62   0.11100  1.0 3.0
   60    57    59    66   0.34400  1.0 1.0
   60    57    59    66   0.09450 -1.0 2.0
   60    57    59    66   0.11100  1.0 3.0
   60    70    72    73   0.24700  1.0 1.0
   60    70    72    73   0.40650 -1.0 2.0
   60    70    72    73  -0.40300  1.0 3.0
   60    70    72    74   0.24700  1.0 1.0
   60    70    72    74   0.40650 -1.0 2.0
   60    70    72    74  -0.40300  1.0 3.0
   60    70    72    75   0.24700  1.0 1.0
   60    70    72    75   0.40650 -1.0 2.0
   60    70    72    75  -0.40300  1.0 3.0
   61    60    70    71   7.00000 -1.0 2.0
   61    60    70    72   7.00000 -1.0 2.0
   71    70    72    73   0.09700  1.0 1.0
   71    70    72    73   0.15600 -1.0 2.0
   71    70    72    73  -0.50800  1.0 3.0
   71    70    72    74   0.09700  1.0 1.0
   71    70    72    74   0.15600 -1.0 2.0
   71    70    72    74  -0.50800  1.0 3.0
   71    70    72    75   0.09700  1.0 1.0
   71    70    72    75   0.15600 -1.0 2.0
   71    70    72    75  -0.50800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   37    49    33    29   4.00000 -1.0 2.0
   38    40    37    33   4.00000 -1.0 2.0
   43    39    38    37   4.00000 -1.0 2.0
   46    44    43    38   4.00000 -1.0 2.0
   49    51    46    43   4.00000 -1.0 2.0
   46    50    49    33   4.00000 -1.0 2.0
   45    55    47    48  10.50000 -1.0 2.0
   57    61    60    70  15.00000 -1.0 2.0
   72    71    70    60  15.00000 -1.0 2.0
END
