* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    133    217     388
    1     0 S   NP   _N1_     1    31.45473   100.20383   -20.44366
    2     1 S   H    _HN1     2     1.02860    62.47267  -113.53440
    3     1 S   H    _H1_     3     1.02734    72.27192   125.21182
    4     1 S   H    _H2_     4     1.03473   168.97641  -143.38565
    5     1 S   CT   _CA1     5     1.50183    77.46334     8.05254
    6     5 S   HC   _HA1     6     1.09536   104.96317   122.11829
    7     5 S   CO3  _C1_     7     1.53775   113.27471     1.43913
    8     7 S   O2Z  _O11     8     1.26441   115.05498   -28.03015
    9     7 S   O2Z  _O12     9     1.26231   115.20092   151.49374
   10     5 S   CT   _CB1    10     1.52996   107.35200  -119.33836
   11    10 S   HC   HB11    11     1.09553   109.35741   -39.32515
   12    10 S   HC   HB12    12     1.09837   110.42366    76.22374
   13    10 S   CT   _CG1    13     1.53282   113.06079  -161.89608
   14    13 S   HC   HG11    14     1.09538   110.87200   -94.66757
   15    13 S   HC   HG12    15     1.09625   111.67343    24.79224
   16    13 S   C    _CD1    16     1.51492   109.52545   144.97264
   17    16 S   O    _OE1    17     1.22767   122.20084    96.28945
   18    16 S   N    _N2_    18     1.38447   112.22081   -80.80148
   19    18 S   H    _HN2    19     1.01937   118.90773    -5.11274
   20    18 S   CT1  _CA2    20     1.45916   123.35949   172.60747
   21    20 S   HC   _HA2    21     1.09667   108.77567    30.68174
   22    20 S   C    _C2_    22     1.53247   108.68375   -86.18069
   23    22 S   O    _O2_    23     1.23105   121.13721   152.21922
   24    20 S   CT   _CB2    32     1.53154   111.68221   154.21665
   25    24 S   HC   HB21    33     1.09645   110.00155    60.06791
   26    24 S   HC   HB22    34     1.09582   110.38576   177.67493
   27    22 S   N    _N3_    24     1.38386   114.35446   -35.40925
   28    27 S   H    _HN3    25     1.01577   119.32311     2.89881
   29    24 S   S    _SG2    35     1.82589   111.44828   -62.31119
   30    27 S   CT   _CA3    26     1.45267   123.33908  -177.46765
   31    30 S   HC   HA31    27     1.09556   108.16885   -46.79452
   32    30 S   HC   HA32    28     1.09549   107.25562    69.56708
   33    29 S   CM   _C16    36     1.74791    99.33924   145.12443
   34    30 S   CO3  _C3_    29     1.53053   114.37516  -168.92506
   35    34 S   O2Z  _O31    30     1.26435   116.36365     3.81624
   36    34 S   O2Z  _O32    31     1.26428   114.39785  -176.44361
   37    33 S   CM   _C17    37     1.35314   122.74505   -89.80752
   38    37 S   N4   _N5_    38     1.35804   119.14638  -179.08144
   39    37 S   CO3  _C19    71     1.54218   121.82236     3.45797
   40    39 S   O2Z  _O36    72     1.26568   115.19326    81.07737
   41    39 S   O2Z  _O35    73     1.26419   114.87520   -99.35921
   42    38 S   C4   _C18    39     1.34638   139.13398  -166.42313
   43    42 S   O    _O34    40     1.20837   133.87182    -7.30627
   44    38 S   C4T  _C13    43     1.45458   122.98048    12.96320
   45    44 S   HC   _H5_    44     1.10030   111.31664    77.57330
   46    42 S   C4T  _C12    41     1.56498    89.59969   169.30198
   47    46 S   HC   _H4_    42     1.09581   112.76516  -106.07029
   48    44 S   CT   _C14    45     1.51489   108.28897   -45.45248
   49    48 S   HC   _H12    46     1.09749   111.07750   -61.35519
   50    48 S   HC   _H13    47     1.09508   110.92993   179.34568
   51    33 S   CT   _C15    48     1.52695   116.10290    88.33265
   52    51 S   HC   _H14    49     1.09671   110.74395   -40.93794
   53    51 S   HC   _H15    50     1.09774   108.21910    76.45354
   54    46 S   N    _N4_    51     1.47589   114.32942   124.23870
   55    54 S   H    _H11    52     1.01703   119.34895    11.98645
   56    54 S   C    _C11    53     1.38968   122.15933  -169.50249
   57    56 S   O    _O33    54     1.22992   123.73025    -0.04423
   58    56 S   CT1  _C10    55     1.52981   112.70023  -179.64173
   59    58 S   HC   _H3_    56     1.09736   108.40571   -32.48979
   60    58 S   CA   _C7_    57     1.51463   110.99544    88.17027
   61    58 S   NT   _N6_    68     1.46702   108.55765  -148.33730
   62    61 S   H    _H16    69     1.01935   109.38822   175.31952
   63    61 S   H    _H17    70     1.01934   109.55850    59.29034
   64    60 S   CA   _C6_    58     1.40314   119.95550  -114.84359
   65    64 S   HA   _H8_    59     1.08734   120.50910    -0.49811
   66    64 S   CA   _C5_    60     1.39632   120.62325   179.48642
   67    66 S   HA   _H7_    61     1.08635   119.93183   179.95154
   68    66 S   CA   _C4_    62     1.39319   120.11352    -0.07913
   69    68 S   HA   _H6_    63     1.08614   120.04889  -180.00000
   70    68 S   CA   _C9_    64     1.39301   119.91307    -0.02798
   71    70 S   HA   _H10    65     1.08629   120.00793  -179.94405
   72    60 S   CA   _C8_    66     1.40431   121.41755    64.43146
   73    72 S   HA   _H9_    67     1.08768   120.38993     0.51889
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   8   5   4   3
  13   2   1   1  13  14   5   1   1   9   4  12   7  10   4   6
   4   3   2   1   1   7   3   9   4  11   6  12   4   1   1   8
   4   6   3   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    48    51    52    53    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    44    48    49    50    51    52    53    39    40    41  
   35    36  
   36  
    0  
   38    42    43    46    44    45    48    51    52    53    39    40    41  
   42    43    46    47    44    45    48    49    50    51    54    39    40    41  
   40    41    42    44    51  
   41  
    0  
   43    46    47    44    45    48    54    55    56  
   46    47    44    54  
   45    48    49    50    51    52    53    54    55    56    46    47  
   48    49    50    51    54    46    47  
   47    48    49    50    51    54    55    56    57    58  
   48    54    55    56  
   49    50    51    52    53    54  
   50    51    52    53  
   51    52    53  
   52    53  
   53  
    0  
   55    56    57    58    59    60    61  
   56    57    58  
   57    58    59    60    64    72    61    62    63  
   58    59    60    61  
   59    60    64    65    66    70    72    73    61    62    63  
   60    64    72    61    62    63  
   64    65    66    67    68    70    71    72    73    61    62    63  
   62    63    64    72  
   63  
    0  
   65    66    67    68    69    70    72    73  
   66    67    68    72  
   67    68    69    70    71    72  
   68    69    70  
   69    70    71    72    73  
   70    71    72  
   71    72    73  
   72    73  
   73  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.259000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   39   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   42   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   44   3.5000   0.0660   0.003700   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.061200   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   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   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   55   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   56   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   58   3.5000   0.0660   0.278900   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   62   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   63   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   240.000  1.763
   33    37   549.000  1.340
   33    51   317.000  1.510
   37    38   400.000  1.384
   37    39   230.000  1.545
   38    42   440.000  1.369
   38    44   305.000  1.456
   42    43   930.000  1.212
   42    46   250.000  1.540
   46    47   340.000  1.090
   46    44   268.000  1.529
   46    54   337.000  1.449
   44    45   340.000  1.090
   44    48   260.000  1.519
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   54    55   434.000  1.010
   54    56   490.000  1.335
   56    57   570.000  1.229
   56    58   317.000  1.522
   58    59   340.000  1.090
   58    60   275.000  1.474
   58    61   305.000  1.457
   60    64   469.000  1.400
   60    72   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   367.000  1.080
   66    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   367.000  1.080
   61    62   434.000  1.010
   61    63   434.000  1.010
   39    40   656.000  1.250
   39    41   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    65.00000  122.11800
   29    33    51    65.00000  117.37300
   33    37    38    75.00000  120.83300
   33    37    39    55.00000  124.75400
   33    51    48    70.00000  112.02700
   33    51    52    35.00000  109.50000
   33    51    53    35.00000  109.50000
   37    38    42    50.00000  132.10000
   37    38    44    50.00000  132.70000
   37    39    40    85.00000  113.83300
   37    39    41    85.00000  113.83300
   38    42    43    75.00000  131.60000
   38    42    46    95.00000   92.72400
   38    44    46   105.00000   87.49700
   38    44    45    50.00000  112.01000
   38    44    48    80.00000  110.05700
   42    46    47    40.00000  113.37500
   42    46    44   100.00000   86.36000
   42    46    54    75.00000  110.24000
   46    42    43    60.00000  136.58000
   46    44    45    37.50000  110.70000
   46    44    48    65.00000  119.52000
   46    54    55    38.00000  118.40000
   46    54    56    50.00000  121.90000
   44    38    42   100.00000   93.00000
   44    46    47    37.50000  110.70000
   44    48    49    45.00000  111.22300
   44    48    50    45.00000  111.22300
   44    48    51    70.00000  112.98000
   48    44    45    45.00000  112.72800
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   50    48    49    33.00000  107.80000
   51    33    37    70.00000  124.00000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   53    51    52    33.00000  107.80000
   54    46    47    50.00000  112.01000
   54    46    44    80.00000  110.05700
   54    56    57    80.00000  122.90000
   54    56    58    70.00000  116.60000
   56    54    55    35.00000  119.80000
   56    58    59    35.00000  109.50000
   56    58    60    70.00000  102.60000
   56    58    61    75.00000  111.54000
   58    56    57    80.00000  120.40000
   58    60    64    60.00000  125.54000
   58    60    72    60.00000  125.54000
   58    61    62    50.00000  111.55300
   58    61    63    50.00000  111.55300
   60    58    59    45.00000  110.88000
   60    64    65    35.00000  120.00000
   60    64    66    63.00000  120.00000
   60    72    70    63.00000  120.00000
   60    72    73    35.00000  120.00000
   64    66    67    35.00000  120.00000
   64    66    68    63.00000  120.00000
   66    64    65    35.00000  120.00000
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    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    35.00000  120.00000
   72    60    64    63.00000  120.00000
   72    70    71    35.00000  120.00000
   61    58    59    50.00000  109.55000
   61    58    60    75.00000  112.33000
   63    61    62    43.60000  106.40000
   39    37    38    80.00000  114.48000
   41    39    40    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.00000  1.0 1.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   1.00000 -1.0 2.0
   24    29    33    51   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   7.00000 -1.0 2.0
   29    33    37    39   7.00000 -1.0 2.0
   29    33    51    48   0.09700  1.0 1.0
   29    33    51    48   0.15600 -1.0 2.0
   29    33    51    48  -0.50800  1.0 3.0
   29    33    51    52   0.00000  1.0 1.0
   29    33    51    53   0.00000  1.0 1.0
   33    37    38    42   0.00000  1.0 1.0
   33    37    38    44   0.00000  1.0 1.0
   33    37    39    40  -0.04000 -1.0 2.0
   33    37    39    40  -0.29050  1.0 3.0
   33    37    39    41  -0.04000 -1.0 2.0
   33    37    39    41  -0.29050  1.0 3.0
   37    33    51    48   0.09850  1.0 1.0
   37    33    51    48   0.15250 -1.0 2.0
   37    33    51    48  -0.50650  1.0 3.0
   37    33    51    52   0.00000  1.0 1.0
   37    33    51    53   0.00000  1.0 1.0
   37    38    42    43   3.00000 -1.0 2.0
   37    38    42    46   3.00000 -1.0 2.0
   37    38   -44    46   0.00000  1.0 1.0
   37    38    44    45   0.00000  1.0 1.0
   37    38   -44    48   0.00000  1.0 1.0
   38    37    39    40   1.91650 -1.0 2.0
   38    37    39    41   1.91650 -1.0 2.0
   38    42    46    47   0.00000  1.0 1.0
   38    42   -46    44   3.00000 -1.0 2.0
   38    42    46    54   0.00000  1.0 1.0
   38    44    48    49   0.15000  1.0 3.0
   38    44    48    50   0.15000  1.0 3.0
   38    44    48    51   0.43900  1.0 1.0
   38    44    48    51   0.49100 -1.0 2.0
   38    44    48    51   0.28400  1.0 3.0
   42    38   -44    46   0.00000  1.0 1.0
   42    38    44    45   0.00000  1.0 1.0
   42    38    44    48   0.00000  1.0 1.0
   42    46   -44    38   3.00000 -1.0 2.0
   42    46   -44    45   0.15000  1.0 3.0
   42    46   -44    48  -0.95700  1.0 1.0
   42    46   -44    48  -0.18200 -1.0 2.0
   42    46   -44    48   0.29450  1.0 3.0
   42    46    54    55   0.00000  1.0 1.0
   42    46    54    56  -0.42300  1.0 1.0
   42    46    54    56  -0.07000 -1.0 2.0
   42    46    54    56   0.04150  1.0 3.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    44  -0.11250  1.0 1.0
   43    42    46    44   0.11400 -1.0 2.0
   43    42    46    44  -0.28950  1.0 3.0
   43    42    46    54   0.30150 -1.0 2.0
   46    44    48    49   0.00000  1.0 1.0
   46    44    48    50   0.00000  1.0 1.0
   46    44    48    51   0.04050  1.0 1.0
   46    44    48    51   0.63700 -1.0 2.0
   46    44    48    51   0.17650  1.0 3.0
   46    54    56    57   3.04450 -1.0 2.0
   46    54    56    58   1.15000  1.0 1.0
   46    54    56    58   3.04450 -1.0 2.0
   47    46   -44    38   0.15000  1.0 3.0
   47    46    44    45   0.15000  1.0 3.0
   47    46    44    48   0.15000  1.0 3.0
   47    46    54    55   0.00000  1.0 1.0
   47    46    54    56   0.00000  1.0 1.0
   44    38   -42    43   3.00000 -1.0 2.0
   44    38   -42    46   3.00000 -1.0 2.0
   44    46    54    55   0.00000  1.0 1.0
   44    46    54    56  -0.43950  1.0 1.0
   44    46    54    56  -0.08100 -1.0 2.0
   44    46    54    56   0.03350  1.0 3.0
   44    48   -51    33   0.34400  1.0 1.0
   44    48   -51    33   0.09450 -1.0 2.0
   44    48   -51    33   0.11100  1.0 3.0
   44    48    51    52   0.15000  1.0 3.0
   44    48    51    53   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    50   0.15000  1.0 3.0
   45    44    48    51   0.15000  1.0 3.0
   49    48    51    33   0.15000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   50    48    51    33   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    53   0.15000  1.0 3.0
   51    33   -37    38   7.00000 -1.0 2.0
   51    33    37    39   7.00000 -1.0 2.0
   54    46   -44    38   2.20050  1.0 1.0
   54    46   -44    38   0.63450 -1.0 2.0
   54    46   -44    38  -0.91300  1.0 3.0
   54    46    44    45   0.15000  1.0 3.0
   54    46    44    48   0.43900  1.0 1.0
   54    46    44    48   0.49100 -1.0 2.0
   54    46    44    48   0.28400  1.0 3.0
   54    56    58    59   0.00000  1.0 1.0
   54    56    58    60   0.00000  1.0 1.0
   54    56    58    61   0.00000  1.0 1.0
   55    54    56    57   2.45000 -1.0 2.0
   55    54    56    58   2.45000 -1.0 2.0
   56    58    60    64   0.04300 -1.0 2.0
   56    58    60    72   0.04300 -1.0 2.0
   56    58    61    62   0.21900  1.0 1.0
   56    58    61    62  -0.24900 -1.0 2.0
   56    58    61    62   0.15200  1.0 3.0
   56    58    61    63   0.21900  1.0 1.0
   56    58    61    63  -0.24900 -1.0 2.0
   56    58    61    63   0.15200  1.0 3.0
   57    56    58    59   0.00000  1.0 1.0
   57    56    58    60   0.30150 -1.0 2.0
   57    56    58    61   0.30150 -1.0 2.0
   58    60    64    65   3.62500 -1.0 2.0
   58    60    64    66   3.62500 -1.0 2.0
   58    60    72    70   3.62500 -1.0 2.0
   58    60    72    73   3.62500 -1.0 2.0
   59    58    60    64   0.00000  1.0 1.0
   59    58    60    72   0.00000  1.0 1.0
   59    58    61    62   0.20000  1.0 3.0
   59    58    61    63   0.20000  1.0 3.0
   60    58    61    62   0.76500  1.0 1.0
   60    58    61    62   0.05700 -1.0 2.0
   60    58    61    62  -0.90900  1.0 3.0
   60    58    61    63   0.76500  1.0 1.0
   60    58    61    63   0.05700 -1.0 2.0
   60    58    61    63  -0.90900  1.0 3.0
   60    64    66    67   3.62500 -1.0 2.0
   60    64    66    68   3.62500 -1.0 2.0
   64    60    72    70   3.62500 -1.0 2.0
   64    60    72    73   3.62500 -1.0 2.0
   64    66    68    69   3.62500 -1.0 2.0
   64    66   -68    70   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    68   3.62500 -1.0 2.0
   66    68    70    71   3.62500 -1.0 2.0
   66    68    70    72   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    70   -72    60   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
   71    70    72    60   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   72    60    64    65   3.62500 -1.0 2.0
   72    60   -64    66   3.62500 -1.0 2.0
   61    58    60    64   0.18550 -1.0 2.0
   61    58    60    64   0.14000  1.0 3.0
   61    58    60    72   0.18550 -1.0 2.0
   61    58    60    72   0.14000  1.0 3.0
   39    37    38    42   0.00000  1.0 1.0
   39    37    38    44   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   29    51    33    37   1.10000 -1.0 2.0
   39    38    37    33   1.10000 -1.0 2.0
   44    42    38    37   1.00000 -1.0 2.0
   38    46    42    43  10.50000 -1.0 2.0
   55    56    54    46   1.00000 -1.0 2.0
   54    58    56    57  10.50000 -1.0 2.0
   64    72    60    58   4.00000 -1.0 2.0
   66    65    64    60   1.10000 -1.0 2.0
   68    67    66    64   1.10000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   70    73    72    60   1.10000 -1.0 2.0
   40    37    39    41  10.50000 -1.0 2.0
END
