* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    137    207     398
    1     0 S   NP   _N1_     1    29.43660    97.21935   -18.52223
    2     1 S   H    _HN1     2     1.02767    69.58926   -54.31013
    3     1 S   H    _H1_     3     1.02981    92.64503    54.33444
    4     1 S   H    _H2_     4     1.02821    48.18303   164.87811
    5     1 S   CT   _CA1     5     1.50165   153.93941  -153.58034
    6     5 S   HC   _HA1     6     1.09583   105.18741    27.18785
    7     5 S   CO3  _C1_     7     1.53828   112.55924   -92.66364
    8     7 S   O2Z  _O11     8     1.26316   115.03986   -37.29987
    9     7 S   O2Z  _O12     9     1.26254   114.99875   141.89482
   10     5 S   CT   _CB1    10     1.53103   107.27993   144.91819
   11    10 S   HC   HB11    11     1.09815   109.19271   -52.03975
   12    10 S   HC   HB12    12     1.09732   110.38156    64.36917
   13    10 S   CT   _CG1    13     1.52870   112.84888  -173.32985
   14    13 S   HC   HG11    14     1.09517   110.22791   -64.25532
   15    13 S   HC   HG12    15     1.09649   110.10999    54.83289
   16    13 S   C    _CD1    16     1.51800   112.53872   175.02240
   17    16 S   O    _OE1    17     1.22698   123.34538   -10.06929
   18    16 S   N    _N2_    18     1.38552   111.45272   170.92069
   19    18 S   H    _HN2    19     1.01614   118.78122    -0.22381
   20    18 S   CT1  _CA2    20     1.46242   123.76570   179.19521
   21    20 S   HC   _HA2    21     1.09740   109.32087   -18.25997
   22    20 S   C    _C2_    22     1.53414   107.89137  -133.63039
   23    22 S   O    _O2_    23     1.23006   122.55661  -146.06161
   24    20 S   CT   _CB2    32     1.53417   111.20509   104.33377
   25    24 S   HC   HB21    33     1.09411   109.31887    49.72829
   26    24 S   HC   HB22    34     1.09487   110.80061   168.21933
   27    22 S   N    _N3_    24     1.38424   113.30459    41.43963
   28    27 S   H    _HN3    25     1.01665   119.51939    -3.62990
   29    24 S   S    _SG2    35     1.82978   111.26732   -73.34828
   30    27 S   CT   _CA3    26     1.45295   123.03394   176.88303
   31    30 S   HC   HA31    27     1.09554   107.55691   -62.69425
   32    30 S   HC   HA32    28     1.09559   107.89350    53.68493
   33    29 S   CT   _C15    36     1.86432   102.15990   144.16336
   34    30 S   CO3  _C3_    29     1.52915   114.19152   175.64041
   35    34 S   O2Z  _O31    30     1.26354   116.05631    -0.96205
   36    34 S   O2Z  _O32    31     1.26431   114.40835   179.08914
   37    33 S   CT   _C14    37     1.56544   107.87200  -179.21865
   38    37 S   HC   _H32    38     1.10060   107.93270   -48.89242
   39    33 S   CT   _C17    73     1.53644   108.39049    59.08331
   40    39 S   HC   _H36    74     1.09515   112.54903   -59.09942
   41    39 S   HC   _H37    75     1.09571   111.62809  -177.07163
   42    39 S   HC   _H38    76     1.09600   111.46743    62.56875
   43    37 S   CT   _C13    39     1.57225   112.52946    69.72147
   44    43 S   HC   _H31    40     1.09700   106.40880   -70.93831
   45    37 S   CO4  _C12    66     1.53117   111.89701  -161.81596
   46    45 S   O    _O20    67     1.22633   122.73182   119.73169
   47    43 S   CA   _C8_    41     1.53685   112.16553   173.28040
   48    43 S   CM   _C10    55     1.51775   111.14927    40.40015
   49    45 S   OS   _O22    68     1.36085   112.08603   -60.12754
   50    47 S   CA   _C6_    42     1.41110   119.93382   -85.91441
   51    50 S   HA   _H29    43     1.08749   120.71440    -1.01664
   52    48 S   CM   _C11    56     1.35022   124.42165   -15.88953
   53    48 S   NO2  _N18    63     1.44688   116.45893   169.20316
   54    53 S   ON   _O19    64     1.23757   116.77244    54.88639
   55    53 S   ON   _O21    65     1.23808   117.49979  -123.03087
   56    49 S   CT   _C18    69     1.43056   115.52983   179.36142
   57    56 S   HC   _H39    70     1.09320   108.05987   179.20205
   58    56 S   HC   _H40    71     1.09419   110.36661    60.50611
   59    56 S   HC   _H41    72     1.09412   110.21330   -62.13561
   60    50 S   CA   _C4_    44     1.39438   121.63530   179.15142
   61    60 S   HA   _H27    45     1.08614   119.98773   179.93147
   62    33 S   NE   _N17    57     1.46063   109.36551   -60.83434
   63    62 S   H    _H42    58     1.01544   117.98026    85.72230
   64    52 S   CT   _C16    59     1.50862   126.15424  -177.28430
   65    64 S   HC   _H33    60     1.09627   110.36597   137.53566
   66    64 S   HC   _H34    61     1.09267   113.61855    18.56375
   67    64 S   HC   _H35    62     1.09475   109.96167  -103.31782
   68    60 S   CA   _C5_    46     1.38701   119.86224     0.01978
   69    68 S   HA   _H28    47     1.08605   120.16524   179.87967
   70    68 S   CA   _C7_    48     1.39305   119.74996     0.03956
   71    70 S   HA   _H30    49     1.08807   118.27916   179.66780
   72    47 S   CA   _C9_    50     1.41727   121.88299    93.10053
   73    72 S   CT   _C19    51     1.50998   122.73592     1.94943
   74    73 S   F    _F23    52     1.36387   113.80207  -175.23852
   75    73 S   F    _F24    53     1.36123   113.03474   -55.31704
   76    73 S   F    _F25    54     1.36201   112.52034    65.00599
  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  12   5   4   3
  17   2   1   1  19   9   8   3   2   1  18   7   9   2  15  12
   4   8   4   9   4   1   1   3   2   1   1   6   3   5   1   3
   2   1   1   5   3   6   2   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    62    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    52    62    63    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    47    48    52    62    63    64    45    46    49    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    47    50    72    48    52    62    63    53    45    46    49    56    39    40    41    42  
   43    44    47    48    62    45    46    49    39  
   40    41    42    43    45    52    62    63  
   41    42    62  
   42    62  
   62  
   44    47    50    51    60    70    72    73    48    52    62    64    53    54    55    45    46    49  
   47    50    72    48    52    53    45  
   46    49    56    57    58    59    47    48    62  
   49    56  
   50    51    60    61    68    70    71    72    73    74    75    76    48    52    53  
   52    62    63    64    65    66    67    53    54    55    50    72  
   56    57    58    59  
   51    60    61    68    69    70    72    73  
   60    61    68    72  
   62    63    64    65    66    67    53    54    55  
   54    55    62    64  
   55  
    0  
   57    58    59  
   58    59  
   59  
    0  
   61    68    69    70    71    72  
   68    69    70  
   63    64    65    66    67  
   64  
   65    66    67  
   66    67  
   67  
    0  
   69    70    71    72    73  
   70    71    72  
   71    72    73    74    75    76  
   72    73  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.402800   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0760   0.290900   2.0020   1.7750   0.023028004  -0.852763146
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.2500   0.1200   0.449100   1.8650   1.6500   0.020864068  -0.347800883
   54   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   55   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   56   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   63   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.2500   0.0620   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   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
   76   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   222.000  1.810
   33    37   268.000  1.529
   33    62   382.000  1.448
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   268.000  1.529
   37    45   317.000  1.522
   43    44   340.000  1.090
   43    47   317.000  1.510
   43    48   317.000  1.510
   47    50   469.000  1.400
   47    72   469.000  1.400
   50    51   367.000  1.080
   50    60   469.000  1.400
   60    61   367.000  1.080
   60    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   317.000  1.510
   73    74   367.000  1.332
   73    75   367.000  1.332
   73    76   367.000  1.332
   48    52   549.000  1.340
   48    53   325.000  1.425
   52    62   425.000  1.378
   52    64   317.000  1.510
   62    63   434.000  1.010
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   53    54   550.000  1.225
   53    55   550.000  1.225
   45    46   570.000  1.229
   45    49   214.000  1.327
   49    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    62    80.00000  108.62000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    37    45    63.00000  111.10000
   33    62    52    50.00000  121.00000
   33    62    63    35.00000  112.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    37.50000  110.70000
   37    43    47    70.00000  112.17500
   37    43    48    70.00000  112.02700
   37    45    46    80.00000  120.40000
   37    45    49    81.00000  111.40000
   43    37    38    37.50000  110.70000
   43    47    50    70.00000  120.00000
   43    47    72    70.00000  120.00000
   43    48    52    70.00000  124.00000
   43    48    53    70.00000  113.98000
   47    43    44    35.00000  109.50000
   47    50    51    35.00000  120.00000
   47    50    60    63.00000  120.00000
   47    72    70    63.00000  120.00000
   47    72    73    70.00000  120.00000
   50    60    61    35.00000  120.00000
   50    60    68    63.00000  120.00000
   60    50    51    35.00000  120.00000
   60    68    69    35.00000  120.00000
   60    68    70    63.00000  120.00000
   68    60    61    35.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    70.00000  120.00000
   72    47    50    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    73    74    50.00000  109.50000
   72    73    75    50.00000  109.50000
   72    73    76    50.00000  109.50000
   75    73    74    77.00000  109.10000
   76    73    74    77.00000  109.10000
   76    73    75    77.00000  109.10000
   48    43    44    35.00000  109.50000
   48    43    47    70.00000  112.99600
   48    52    62    70.00000  124.03900
   48    52    64    70.00000  124.00000
   48    53    54    90.00000  119.02900
   48    53    55    90.00000  119.02900
   52    62    63    35.00000  114.50000
   52    64    65    35.00000  109.50000
   52    64    66    35.00000  109.50000
   52    64    67    35.00000  109.50000
   62    33    37    80.00000  111.61500
   64    52    62    75.00000  116.24600
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   53    48    52    70.00000  118.30600
   55    53    54    80.00000  125.30000
   45    37    38    35.00000  109.50000
   45    37    43    63.00000  111.10000
   45    49    56    83.00000  116.90000
   49    45    46    83.00000  123.40000
   49    56    57    35.00000  109.50000
   49    56    58    35.00000  109.50000
   49    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    62    80.00000  111.61500
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    62   0.01700  1.0 1.0
   24    29    33    62  -0.23550 -1.0 2.0
   24    29    33    62   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    45   0.56750  1.0 1.0
   29    33    37    45  -0.07550 -1.0 2.0
   29    33    37    45   0.20000  1.0 3.0
   29    33    62    52  -0.12500  1.0 1.0
   29    33    62    52  -0.12500 -1.0 2.0
   29    33    62    52   0.25000  1.0 3.0
   29    33    62    63  -0.12500  1.0 1.0
   29    33    62    63  -0.12500 -1.0 2.0
   29    33    62    63   0.25000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    47  -0.03700  1.0 1.0
   33    37    43    47   0.37200 -1.0 2.0
   33    37    43    47  -0.47300  1.0 3.0
   33    37    43    48   0.34400  1.0 1.0
   33    37    43    48   0.09450 -1.0 2.0
   33    37    43    48   0.11100  1.0 3.0
   33    37    45    46   0.30150 -1.0 2.0
   33    37    45    49   0.36750  1.0 3.0
   37    33    62    52   0.25450  1.0 1.0
   37    33    62    52  -0.61700 -1.0 2.0
   37    33    62    52  -0.23550  1.0 3.0
   37    33    62    63   0.00000  1.0 1.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    47    50   0.04150 -1.0 2.0
   37    43    47    72   0.04150 -1.0 2.0
   37    43   -48    52   0.09850  1.0 1.0
   37    43   -48    52   0.15250 -1.0 2.0
   37    43   -48    52  -0.50650  1.0 3.0
   37    43    48    53   0.09700  1.0 1.0
   37    43    48    53   0.15600 -1.0 2.0
   37    43    48    53  -0.50800  1.0 3.0
   37    45    49    56   1.63150  1.0 1.0
   37    45    49    56   2.92000 -1.0 2.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    47   0.43200  1.0 3.0
   38    37    43    48   0.15000  1.0 3.0
   38    37    45    46   0.00000  1.0 1.0
   38    37    45    49   0.00000  1.0 1.0
   43    37    45    46   0.30150 -1.0 2.0
   43    37    45    49   0.36750  1.0 3.0
   43    47    50    51   3.62500 -1.0 2.0
   43    47    50    60   3.62500 -1.0 2.0
   43    47    72    70   3.62500 -1.0 2.0
   43    47    72    73   3.62500 -1.0 2.0
   43    48    52    62   7.00000 -1.0 2.0
   43    48    52    64   7.00000 -1.0 2.0
   43    48    53    54   0.01550  1.0 1.0
   43    48    53    54   0.69950 -1.0 2.0
   43    48    53    54   0.02600  1.0 3.0
   43    48    53    55   0.01550  1.0 1.0
   43    48    53    55   0.69950 -1.0 2.0
   43    48    53    55   0.02600  1.0 3.0
   44    43    47    50   0.00000  1.0 1.0
   44    43    47    72   0.00000  1.0 1.0
   44    43    48    52   0.00000  1.0 1.0
   44    43    48    53   0.00000  1.0 1.0
   47    43    48    52   1.44450  1.0 1.0
   47    43    48    52   0.06600 -1.0 2.0
   47    43    48    52   0.29250  1.0 3.0
   47    43    48    53   0.09700  1.0 1.0
   47    43    48    53   0.15600 -1.0 2.0
   47    43    48    53  -0.50800  1.0 3.0
   47    50    60    61   3.62500 -1.0 2.0
   47    50    60    68   3.62500 -1.0 2.0
   47    72    73    74   0.00000  1.0 1.0
   47    72    73    75   0.00000  1.0 1.0
   47    72    73    76   0.00000  1.0 1.0
   50    47    72    70   3.62500 -1.0 2.0
   50    47    72    73   3.62500 -1.0 2.0
   50    60    68    69   3.62500 -1.0 2.0
   50    60   -68    70   3.62500 -1.0 2.0
   51    50    60    61   3.62500 -1.0 2.0
   51    50    60    68   3.62500 -1.0 2.0
   60    68    70    71   3.62500 -1.0 2.0
   60    68    70    72   3.62500 -1.0 2.0
   61    60    68    69   3.62500 -1.0 2.0
   61    60    68    70   3.62500 -1.0 2.0
   68    70   -72    47   3.62500 -1.0 2.0
   68    70    72    73   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72    73    74   0.00000  1.0 1.0
   70    72    73    75   0.00000  1.0 1.0
   70    72    73    76   0.00000  1.0 1.0
   71    70    72    47   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   72    47    50    51   3.62500 -1.0 2.0
   72    47   -50    60   3.62500 -1.0 2.0
   48    43    47    50   0.18050 -1.0 2.0
   48    43    47    72   0.18050 -1.0 2.0
   48    52   -62    33  -0.54700  1.0 1.0
   48    52   -62    33   1.23000 -1.0 2.0
   48    52    62    63   1.00000 -1.0 2.0
   48    52    64    65   0.00000  1.0 1.0
   48    52    64    66   0.00000  1.0 1.0
   48    52    64    67   0.00000  1.0 1.0
   52    48    53    54   0.65450 -1.0 2.0
   52    48    53    55   0.65450 -1.0 2.0
   62    33    37    38   0.22950  1.0 3.0
   62    33   -37    43   1.26750  1.0 1.0
   62    33   -37    43  -0.00950 -1.0 2.0
   62    33   -37    43   0.30600  1.0 3.0
   62    33    37    45  -2.10200  1.0 1.0
   62    33    37    45  -0.31600 -1.0 2.0
   62    33    37    45   0.13050  1.0 3.0
   62    33    39    40   0.22950  1.0 3.0
   62    33    39    41   0.22950  1.0 3.0
   62    33    39    42   0.22950  1.0 3.0
   62    52    64    65  -0.18050  1.0 3.0
   62    52    64    66  -0.18050  1.0 3.0
   62    52    64    67  -0.18050  1.0 3.0
   64    52    62    33   1.00000 -1.0 2.0
   64    52    62    63   2.40850 -1.0 2.0
   53    48    52    62   7.00000 -1.0 2.0
   53    48    52    64   7.00000 -1.0 2.0
   45    37    43    44  -0.11250  1.0 3.0
   45    37    43    47   0.56750  1.0 1.0
   45    37    43    47  -0.07550 -1.0 2.0
   45    37    43    47   0.20000  1.0 3.0
   45    37    43    48  -0.98800  1.0 1.0
   45    37    43    48   0.48800 -1.0 2.0
   45    37    43    48   0.76800  1.0 3.0
   45    49    56    57   0.08050  1.0 3.0
   45    49    56    58   0.08050  1.0 3.0
   45    49    56    59   0.08050  1.0 3.0
   46    45    49    56   3.00000 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  1.0 3.0
   39    33    37    45  -0.95700  1.0 1.0
   39    33    37    45  -0.18200 -1.0 2.0
   39    33    37    45   0.29450  1.0 3.0
   39    33    62    52   0.25450  1.0 1.0
   39    33    62    52  -0.61700 -1.0 2.0
   39    33    62    52  -0.23550  1.0 3.0
   39    33    62    63   0.00000  1.0 1.0
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
   50    72    47    43   4.00000 -1.0 2.0
   60    51    50    47   1.10000 -1.0 2.0
   68    61    60    50   1.10000 -1.0 2.0
   70    69    68    60   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   70    73    72    47   4.00000 -1.0 2.0
   43    53    48    52   1.10000 -1.0 2.0
   64    62    52    48   1.10000 -1.0 2.0
   63    52    62    33   1.00000 -1.0 2.0
   55    48    53    54  10.50000 -1.0 2.0
   37    49    45    46  10.50000 -1.0 2.0
END
