* LIGAND DATABASE FILE (OPLS2005)
*
001      68    69    122    191     360
    1     0 S   NP   _N1_     1    28.93315    94.60307   -19.72438
    2     1 S   H    _HN1     2     1.02779    80.04429   -70.73672
    3     1 S   H    _H1_     3     1.02960    98.05144    36.57586
    4     1 S   H    _H2_     4     1.02839    34.28778   145.10395
    5     1 S   CT   _CA1     5     1.50109   142.11367   175.66194
    6     5 S   HC   _HA1     6     1.09563   105.29444    41.37795
    7     5 S   CO3  _C1_     7     1.53852   112.30665   -79.03608
    8     7 S   O2Z  _O11     8     1.26367   115.00245   -44.15891
    9     7 S   O2Z  _O12     9     1.26228   114.94791   135.09747
   10     5 S   CT   _CB1    10     1.53091   107.45584   159.47634
   11    10 S   HC   HB11    11     1.09817   109.58341   -48.89137
   12    10 S   HC   HB12    12     1.09838   110.30523    67.72537
   13    10 S   CT   _CG1    13     1.53031   112.62671  -169.97365
   14    13 S   HC   HG11    14     1.09538   110.34998   -57.92588
   15    13 S   HC   HG12    15     1.09614   110.21216    61.19556
   16    13 S   C    _CD1    16     1.51795   111.97646  -178.62399
   17    16 S   O    _OE1    17     1.22743   123.08820   -14.95133
   18    16 S   N    _N2_    18     1.38597   111.81474   165.55247
   19    18 S   H    _HN2    19     1.01591   119.04583     1.89672
   20    18 S   CT1  _CA2    20     1.46292   123.37413  -176.50206
   21    20 S   HC   _HA2    21     1.09730   109.34184   -16.84782
   22    20 S   C    _C2_    22     1.53348   108.28036  -132.70407
   23    22 S   O    _O2_    23     1.23001   122.28275  -145.08185
   24    20 S   CT   _CB2    32     1.53535   111.22600   105.21375
   25    24 S   HC   HB21    33     1.09568   109.52413    55.52245
   26    24 S   HC   HB22    34     1.09495   110.71567   174.17123
   27    22 S   N    _N3_    24     1.38519   113.28685    42.21633
   28    27 S   H    _HN3    25     1.01535   118.92551    -0.46604
   29    24 S   S    _SG2    35     1.82839   111.57785   -66.26656
   30    27 S   CT   _CA3    26     1.45449   123.39661   175.11753
   31    30 S   HC   HA31    27     1.09526   109.17605    25.42028
   32    30 S   HC   HA32    28     1.09493   107.13254   142.42171
   33    29 S   CT   _C15    36     1.84152   100.01796   147.27080
   34    33 S   HC   _H3_    37     1.09257   108.64704   -41.72730
   35    30 S   CO3  _C3_    29     1.52934   113.17794   -98.01068
   36    35 S   O2Z  _O31    30     1.26397   115.43751   -43.51447
   37    35 S   O2Z  _O32    31     1.26360   114.95890   137.42702
   38    33 S   CM   _C11    38     1.52340   108.12554  -161.06710
   39    38 S   CM   _C10    39     1.35040   120.42552   -94.69181
   40    39 S   HC   _H24    40     1.08513   121.98498   179.21167
   41    38 S   CT   _C18    48     1.56181   119.91010    85.86860
   42    39 S   CO4  _C12    41     1.47628   122.42714     0.78360
   43    42 S   O    _O16    42     1.22107   122.61129   172.86711
   44    41 S   CA   _C8_    49     1.54918   110.08421   124.70759
   45    41 S   CT   _C16    61     1.55290   107.14486  -111.44626
   46    45 S   HC   _H28    62     1.09633   111.34252    58.10324
   47    45 S   HC   _H29    63     1.09622   112.35910   -62.22526
   48    45 S   HC   _H30    64     1.09654   111.57171   177.17271
   49    41 S   CT   _C17    65     1.55228   114.80132     5.28850
   50    49 S   HC   _H31    66     1.09448   111.82506   -61.41510
   51    49 S   HC   _H32    67     1.09562   112.72349    60.15965
   52    49 S   HC   _H33    68     1.09758   110.89211   179.43837
   53    42 S   CO4  _C13    43     1.50420   117.93141    -7.62231
   54    53 S   O    _O17    44     1.22161   119.28192   167.96728
   55    44 S   CA   _C4_    50     1.40571   122.90923   123.70212
   56    55 S   HA   _H20    51     1.08595   121.46436     0.10653
   57    33 S   CT   _C14    45     1.53082   110.59654    74.95627
   58    57 S   HC   _H25    46     1.09544   111.75663   -50.26918
   59    57 S   HC   _H26    47     1.09748   109.92706  -168.91715
   60    55 S   CA   _C6_    52     1.39876   121.14376  -180.00000
   61    60 S   HA   _H22    53     1.08627   119.31812  -179.97202
   62    60 S   CA   _C9_    54     1.39056   119.77209    -0.05234
   63    62 S   CA   _C7_    55     1.38848   120.53953    -0.06256
   64    63 S   HA   _H23    56     1.08613   120.57368  -179.91607
   65    62 S   OH   _O18    59     1.36570   121.16211   180.00000
   66    65 S   HO   _H34    60     0.97241   108.55425     0.38052
   67    44 S   CA   _C5_    57     1.41162   119.48370   -56.50435
   68    67 S   HA   _H21    58     1.08785   120.39873     0.02798
  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
