* LIGAND DATABASE FILE (OPLS2005)
*
001      68    69    122    191     360
    1     0 S   NP   _N1_     1    28.58751    96.39844   -23.51248
    2     1 S   H    _HN1     2     1.02786   106.48989   -91.83301
    3     1 S   H    _H1_     3     1.02950    72.29255    12.67017
    4     1 S   H    _H2_     4     1.02829    37.46954   170.09619
    5     1 S   CT   _CA1     5     1.50118   137.29087   113.83134
    6     5 S   HC   _HA1     6     1.09574   105.18798    91.98992
    7     5 S   CO3  _C1_     7     1.53775   112.46456   -28.24117
    8     7 S   O2Z  _O11     8     1.26373   114.99924   -42.50767
    9     7 S   O2Z  _O12     9     1.26237   114.94103   136.58934
   10     5 S   CT   _CB1    10     1.53072   107.41696  -150.03047
   11    10 S   HC   HB11    11     1.09836   109.34304   -49.70978
   12    10 S   HC   HB12    12     1.09813   110.46072    66.88786
   13    10 S   CT   _CG1    13     1.53003   112.62739  -170.67764
   14    13 S   HC   HG11    14     1.09577   110.66899   -66.37899
   15    13 S   HC   HG12    15     1.09671   109.75713    52.86649
   16    13 S   C    _CD1    16     1.51801   112.14177   173.31951
   17    16 S   O    _OE1    17     1.22741   123.25690     8.87279
   18    16 S   N    _N2_    18     1.38663   111.73750  -171.22963
   19    18 S   H    _HN2    19     1.01584   118.94010     1.49802
   20    18 S   CT1  _CA2    20     1.46182   123.32538   176.83987
   21    20 S   HC   _HA2    21     1.09739   109.34903     3.75718
   22    20 S   C    _C2_    22     1.53578   108.68053  -111.71065
   23    22 S   O    _O2_    23     1.23066   122.23616  -148.22013
   24    20 S   CT   _CB2    32     1.53329   111.67427   125.77811
   25    24 S   HC   HB21    33     1.09487   110.02456    56.63753
   26    24 S   HC   HB22    34     1.09518   110.00467   175.64931
   27    22 S   N    _N3_    24     1.38312   113.75686    39.21917
   28    27 S   H    _HN3    25     1.01575   119.60704    -3.28575
   29    24 S   S    _SG2    35     1.82723   111.51244   -64.62744
   30    27 S   CT   _CA3    26     1.45288   123.24131   177.17624
   31    30 S   HC   HA31    27     1.09548   107.50861   -64.71837
   32    30 S   HC   HA32    28     1.09556   107.99279    51.72904
   33    29 S   CT   _C15    36     1.84688    99.63915  -173.99061
   34    33 S   HC   _H3_    37     1.09425   107.77017    40.80158
   35    30 S   CO3  _C3_    29     1.52970   114.06177   173.72218
   36    35 S   O2Z  _O31    30     1.26382   116.06361    -0.74808
   37    35 S   O2Z  _O32    31     1.26428   114.41449   179.31529
   38    33 S   CM   _C11    38     1.53040   108.98522   160.24407
   39    38 S   CM   _C10    39     1.34880   119.76094    86.62584
   40    39 S   HC   _H24    40     1.08300   123.26593  -178.89005
   41    38 S   CT   _C18    48     1.56167   117.45544   -96.56516
   42    39 S   CO4  _C12    41     1.47885   121.82143     1.77894
   43    42 S   O    _O16    42     1.22121   122.46274  -168.37846
   44    41 S   CA   _C8_    49     1.54771   109.91786   -60.25503
   45    41 S   CT   _C16    61     1.54968   108.57050    64.42146
   46    45 S   HC   _H28    62     1.09686   111.11695    54.72190
   47    45 S   HC   _H29    63     1.09516   112.52883   -66.23597
   48    45 S   HC   _H30    64     1.09719   111.49559   173.75443
   49    41 S   CT   _C17    65     1.55561   113.67627  -179.19473
   50    49 S   HC   _H31    66     1.09671   111.41768   -61.82378
   51    49 S   HC   _H32    67     1.09620   112.64693    59.35868
   52    49 S   HC   _H33    68     1.09760   111.01834   178.84954
   53    42 S   CO4  _C13    43     1.50715   118.04635    13.53855
   54    53 S   O    _O17    44     1.22200   119.18827  -176.80579
   55    44 S   CA   _C4_    50     1.40613   122.85764   124.94613
   56    55 S   HA   _H20    51     1.08598   121.48154     0.27411
   57    33 S   CT   _C14    45     1.52990   110.55349   -77.17924
   58    57 S   HC   _H25    46     1.09723   110.15450   172.99585
   59    57 S   HC   _H26    47     1.09466   111.78491    54.06921
   60    55 S   CA   _C6_    52     1.39886   121.20983  -179.72876
   61    60 S   HA   _H22    53     1.08631   119.33473   179.88636
   62    60 S   CA   _C9_    54     1.39026   119.76197    -0.14537
   63    62 S   CA   _C7_    55     1.38829   120.51679    -0.11535
   64    63 S   HA   _H23    56     1.08623   120.56662  -179.84805
   65    62 S   OH   _O18    59     1.36554   121.18435   179.96044
   66    65 S   HO   _H34    60     0.97243   108.60248     0.10087
   67    44 S   CA   _C5_    57     1.41144   119.63488   -55.19604
   68    67 S   HA   _H21    58     1.08776   120.49256    -0.23739
  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   9   5   4   3
  14   7   2   1   1  20  10   4  17   6   3  17   9   3   2   1
   5   2   1   1   4   3   8   4   2   1   1   7   3   6   5   3
   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    57    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    53    57    58    59    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    53    54    57    58    59    41    44    45    49  
   38    39    53    57    58    59    41  
   36    37  
   37  
    0  
   39    40    42    43    53    57    58    59    41    44    55    67    45    46    47    48    49    50    51    52  
   40    42    43    53    54    57    41    44    45    49  
   42    43    53    41  
   44    55    56    60    63    67    68    45    46    47    48    49    50    51    52    42    57  
   43    53    54    57    58    59  
   53    54    57  
   55    56    60    61    62    63    64    67    68    45    46    47    48    49    50    51    52  
   46    47    48    49    50    51    52    55    67  
   47    48    49  
   48    49  
   49  
   50    51    52    55    67  
   51    52  
   52  
    0  
   54    57    58    59  
   57    58    59  
   56    60    61    62    63    67    68    65  
   60    61    62    67  
   58    59  
   59  
    0  
   61    62    63    64    67    65    66  
   62    63    65  
   63    64    67    68    65    66  
   64    67    68    65    66  
   67    68    65  
   66    67  
    0  
   68  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.060000   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    57   268.000  1.529
   38    39   549.000  1.340
   38    41   317.000  1.510
   39    40   340.000  1.080
   39    42   320.000  1.462
   42    43   570.000  1.229
   42    53   250.000  1.523
   53    54   570.000  1.229
   53    57   317.000  1.522
   57    58   340.000  1.090
   57    59   340.000  1.090
   41    44   317.000  1.510
   41    45   268.000  1.529
   41    49   268.000  1.529
   44    55   469.000  1.400
   44    67   469.000  1.400
   55    56   367.000  1.080
   55    60   469.000  1.400
   60    61   367.000  1.080
   60    62   469.000  1.400
   62    63   469.000  1.400
   62    65   450.000  1.364
   63    64   367.000  1.080
   63    67   469.000  1.400
   67    68   367.000  1.080
   65    66   553.000  0.945
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    57    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.92700
   33    57    53    63.00000  111.10000
   33    57    58    37.50000  110.70000
   33    57    59    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  120.00000
   38    39    42    65.00000  118.96000
   38    41    44    70.00000  112.99600
   38    41    45    70.00000  112.02700
   38    41    49    70.00000  112.02700
   39    42    43    80.00000  123.72100
   39    42    53    65.00000  116.00000
   42    39    40    40.00000  117.72500
   42    53    54    80.00000  119.30300
   42    53    57    65.00000  115.45000
   53    42    43    80.00000  119.30300
   53    57    58    35.00000  109.50000
   53    57    59    35.00000  109.50000
   57    33    34    37.50000  110.70000
   57    33    38    70.00000  112.02700
   57    53    54    80.00000  120.40000
   59    57    58    33.00000  107.80000
   41    38    39    70.00000  124.00000
   41    44    55    70.00000  120.00000
   41    44    67    70.00000  120.00000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   41    49    50    37.50000  110.70000
   41    49    51    37.50000  110.70000
   41    49    52    37.50000  110.70000
   44    55    56    35.00000  120.00000
   44    55    60    63.00000  120.00000
   44    67    63    63.00000  120.00000
   44    67    68    35.00000  120.00000
   55    60    61    35.00000  120.00000
   55    60    62    63.00000  120.00000
   60    55    56    35.00000  120.00000
   60    62    63    63.00000  120.00000
   60    62    65    70.00000  120.00000
   62    60    61    35.00000  120.00000
   62    63    64    35.00000  120.00000
   62    63    67    63.00000  120.00000
   62    65    66    35.00000  113.00000
   63    67    68    35.00000  120.00000
   67    44    55    63.00000  120.00000
   67    63    64    35.00000  120.00000
   65    62    63    70.00000  120.00000
   45    41    44    70.00000  112.17500
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   49    41    44    70.00000  112.17500
   49    41    45    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   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    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    57    53   0.56750  1.0 1.0
   29    33    57    53  -0.07550 -1.0 2.0
   29    33    57    53   0.20000  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    59   0.15000  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    42   7.00000 -1.0 2.0
   33    38    41    44   0.09700  1.0 1.0
   33    38    41    44   0.15600 -1.0 2.0
   33    38    41    44  -0.50800  1.0 3.0
   33    38    41    45   0.46850  1.0 1.0
   33    38    41    45   0.08550 -1.0 2.0
   33    38    41    45   0.09800  1.0 3.0
   33    38    41    49   0.46850  1.0 1.0
   33    38    41    49   0.08550 -1.0 2.0
   33    38    41    49   0.09800  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    57    53  -0.11250  1.0 3.0
   34    33    57    58   0.15000  1.0 3.0
   34    33    57    59   0.15000  1.0 3.0
   38    33    57    53  -0.98800  1.0 1.0
   38    33    57    53   0.48800 -1.0 2.0
   38    33    57    53   0.76800  1.0 3.0
   38    33    57    58   0.15000  1.0 3.0
   38    33    57    59   0.15000  1.0 3.0
   38    39    42    43   1.00000 -1.0 2.0
   38    39   -42    53   0.50400  1.0 1.0
   38    39   -42    53   1.60000 -1.0 2.0
   38    39   -42    53  -0.01800  1.0 3.0
   38    41    44    55   0.18050 -1.0 2.0
   38    41    44    67   0.18050 -1.0 2.0
   38    41    45    46   0.15000  1.0 3.0
   38    41    45    47   0.15000  1.0 3.0
   38    41    45    48   0.15000  1.0 3.0
   38    41    49    50   0.15000  1.0 3.0
   38    41    49    51   0.15000  1.0 3.0
   38    41    49    52   0.15000  1.0 3.0
   39    38    41    44   1.44450  1.0 1.0
   39    38    41    44   0.06600 -1.0 2.0
   39    38    41    44   0.29250  1.0 3.0
   39    38    41    45   0.09850  1.0 1.0
   39    38    41    45   0.15250 -1.0 2.0
   39    38    41    45  -0.50650  1.0 3.0
   39    38    41    49   0.09850  1.0 1.0
   39    38    41    49   0.15250 -1.0 2.0
   39    38    41    49  -0.50650  1.0 3.0
   39    42    53    54   0.03000  1.0 1.0
   39    42    53    54   0.58800 -1.0 2.0
   39    42    53    54   0.15550  1.0 3.0
   39    42    53    57   0.43900  1.0 1.0
   39    42    53    57  -0.18150 -1.0 2.0
   39    42    53    57  -0.03650  1.0 3.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    53   0.92800 -1.0 2.0
   42    53   -57    33   0.65300  1.0 1.0
   42    53   -57    33  -0.03850 -1.0 2.0
   42    53   -57    33   0.33900  1.0 3.0
   42    53    57    58   0.00000  1.0 1.0
   42    53    57    59   0.00000  1.0 1.0
   43    42    53    54   0.06100 -1.0 2.0
   43    42    53    57   0.49600 -1.0 2.0
   54    53    57    33   0.30150 -1.0 2.0
   54    53    57    58   0.00000  1.0 1.0
   54    53    57    59   0.00000  1.0 1.0
   57    33   -38    39   0.09850  1.0 1.0
   57    33   -38    39   0.15250 -1.0 2.0
   57    33   -38    39  -0.50650  1.0 3.0
   57    33    38    41   0.46850  1.0 1.0
   57    33    38    41   0.08550 -1.0 2.0
   57    33    38    41   0.09800  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    42   7.00000 -1.0 2.0
   41    44    55    56   3.62500 -1.0 2.0
   41    44    55    60   3.62500 -1.0 2.0
   41    44    67    63   3.62500 -1.0 2.0
   41    44    67    68   3.62500 -1.0 2.0
   44    41    45    46   0.43200  1.0 3.0
   44    41    45    47   0.43200  1.0 3.0
   44    41    45    48   0.43200  1.0 3.0
   44    41    49    50   0.43200  1.0 3.0
   44    41    49    51   0.43200  1.0 3.0
   44    41    49    52   0.43200  1.0 3.0
   44    55    60    61   3.62500 -1.0 2.0
   44    55    60    62   3.62500 -1.0 2.0
   55    44    67    63   3.62500 -1.0 2.0
   55    44    67    68   3.62500 -1.0 2.0
   55    60   -62    63   3.62500 -1.0 2.0
   55    60    62    65   3.62500 -1.0 2.0
   56    55    60    61   3.62500 -1.0 2.0
   56    55    60    62   3.62500 -1.0 2.0
   60    62    63    64   3.62500 -1.0 2.0
   60    62    63    67   3.62500 -1.0 2.0
   60    62    65    66   0.84100 -1.0 2.0
   61    60    62    63   3.62500 -1.0 2.0
   61    60    62    65   3.62500 -1.0 2.0
   62    63   -67    44   3.62500 -1.0 2.0
   62    63    67    68   3.62500 -1.0 2.0
   63    62    65    66   0.84100 -1.0 2.0
   64    63    67    44   3.62500 -1.0 2.0
   64    63    67    68   3.62500 -1.0 2.0
   67    44    55    56   3.62500 -1.0 2.0
   67    44   -55    60   3.62500 -1.0 2.0
   65    62    63    64   3.62500 -1.0 2.0
   65    62    63    67   3.62500 -1.0 2.0
   45    41    44    55   0.04150 -1.0 2.0
   45    41    44    67   0.04150 -1.0 2.0
   45    41    49    50   0.15000  1.0 3.0
   45    41    49    51   0.15000  1.0 3.0
   45    41    49    52   0.15000  1.0 3.0
   49    41    44    55   0.04150 -1.0 2.0
   49    41    44    67   0.04150 -1.0 2.0
   49    41    45    46   0.15000  1.0 3.0
   49    41    45    47   0.15000  1.0 3.0
   49    41    45    48   0.15000  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
   37    30    35    36  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   42    40    39    38   1.10000 -1.0 2.0
   39    53    42    43  10.50000 -1.0 2.0
   42    57    53    54  10.50000 -1.0 2.0
   55    67    44    41   4.00000 -1.0 2.0
   60    56    55    44   1.10000 -1.0 2.0
   62    61    60    55   1.10000 -1.0 2.0
   63    65    62    60   4.00000 -1.0 2.0
   67    64    63    62   1.10000 -1.0 2.0
   63    68    67    44   1.10000 -1.0 2.0
END
