* LIGAND DATABASE FILE (OPLS2005)
*
001      71    72    125    191     363
    1     0 S   NP   _N1_     1    28.77125    96.90527   -21.80565
    2     1 S   H    _HN1     2     1.02954    73.31855    30.27334
    3     1 S   H    _H1_     3     1.02826    44.53916   168.05938
    4     1 S   H    _H2_     4     1.02776    92.12811   -78.28443
    5     1 S   CT   _CA1     5     1.50136   151.43753   132.32546
    6     5 S   HC   _HA1     6     1.09575   105.17259    85.08372
    7     5 S   CO3  _C1_     7     1.53756   112.49930   -35.03203
    8     7 S   O2Z  _O11     8     1.26360   114.99731   -40.23549
    9     7 S   O2Z  _O12     9     1.26248   114.97056   138.84375
   10     5 S   CT   _CB1    10     1.53086   107.40236  -156.97896
   11    10 S   HC   HB11    11     1.09826   109.26090   -50.02298
   12    10 S   HC   HB12    12     1.09817   110.45594    66.55562
   13    10 S   CT   _CG1    13     1.52982   112.68248  -171.08727
   14    13 S   HC   HG11    14     1.09605   110.49281   -66.77424
   15    13 S   HC   HG12    15     1.09670   109.89075    52.45746
   16    13 S   C    _CD1    16     1.51830   112.34524   172.79002
   17    16 S   O    _OE1    17     1.22726   123.34034     3.31009
   18    16 S   N    _N2_    18     1.38624   111.58960  -176.74424
   19    18 S   H    _HN2    19     1.01600   118.90915     0.96995
   20    18 S   CT1  _CA2    20     1.46225   123.46614   178.78212
   21    20 S   HC   _HA2    21     1.09736   109.39329    -7.42008
   22    20 S   C    _C2_    22     1.53403   108.43900  -122.92826
   23    22 S   O    _O2_    23     1.23035   122.33249  -148.08802
   24    20 S   CT   _CB2    32     1.53316   111.38012   114.71467
   25    24 S   HC   HB21    33     1.09584   109.75008    54.50385
   26    24 S   HC   HB22    34     1.09482   110.57680   173.65705
   27    22 S   N    _N3_    24     1.38347   113.49601    39.43400
   28    27 S   H    _HN3    25     1.01639   119.50636    -3.66853
   29    24 S   S    _SG2    35     1.82770   111.30180   -66.55475
   30    27 S   CT   _CA3    26     1.45290   123.16154   176.94726
   31    30 S   HC   HA31    27     1.09552   107.53616   -63.63039
   32    30 S   HC   HA32    28     1.09558   107.93879    52.78306
   33    29 S   CT   _C10    36     1.85123    99.62598   164.43977
   34    33 S   HC   _H3_    37     1.09597   106.65855   -43.37701
   35    30 S   CO3  _C3_    29     1.52945   114.11505   174.75536
   36    35 S   O2Z  _O31    30     1.26371   116.05080    -0.79623
   37    35 S   O2Z  _O32    31     1.26428   114.41589   179.26378
   38    33 S   CA   _C9_    38     1.51187   109.38328    74.65154
   39    33 S   CT   _C11    52     1.55101   110.06646  -162.12213
   40    39 S   HC   _H4_    53     1.10029   108.29405   -62.17622
   41    38 S   CA   _C8_    39     1.39796   122.18303  -118.51312
   42    41 S   HA   _H10    40     1.08629   120.72893    -0.30261
   43    39 S   CA   _C12    54     1.52356   114.53448    58.96674
   44    39 S   CO3  _C19    69     1.54707   112.72685  -179.56749
   45    44 S   O2Z  _O35    70     1.26310   116.14357   -35.33965
   46    44 S   O2Z  _O34    71     1.26491   114.49868   143.60634
   47    41 S   CA   _C7_    41     1.39002   119.47205  -179.86583
   48    47 S   HA   _H9_    42     1.08632   120.08540   179.78878
   49    43 S   CA   _C13    55     1.40162   119.62055  -126.80707
   50    49 S   HA   _H12    56     1.08727   120.47844    -0.59578
   51    47 S   CA   _C6_    43     1.38973   119.76785    -0.04423
   52    51 S   HA   _H8_    44     1.08610   119.99107   179.92598
   53    49 S   CA   _C14    57     1.39676   120.67713   179.14682
   54    53 S   HA   _H13    58     1.08737   119.24039  -179.73239
   55    51 S   CA   _C5_    45     1.39455   119.31049    -0.07402
   56    53 S   CA   _C15    59     1.39705   120.64859     0.22206
   57    38 S   NAP  _N4_    46     1.34782   118.93710    61.37168
   58    57 S   H    _H11    47     1.02016   118.12519    -0.81877
   59    55 S   CT   _C4_    48     1.49153   122.09189  -179.81762
   60    59 S   HC   _H5_    49     1.09433   110.15728    60.77762
   61    59 S   HC   _H6_    50     1.09441   111.28237  -179.38293
   62    59 S   HC   _H7_    51     1.09436   110.17623   -59.57944
   63    56 S   CA   _C16    60     1.39508   119.13439     0.26095
   64    63 S   HA   _H14    61     1.08546   121.91133   179.61437
   65    56 S   OS   _O33    64     1.36903   114.96210  -179.94766
   66    43 S   CA   _C17    62     1.40277   122.07011    53.01228
   67    66 S   HA   _H15    63     1.08728   120.54585     1.03854
   68    65 S   CT   _C18    65     1.42271   116.75073   179.02081
   69    68 S   HC   _H16    66     1.09422   107.78902  -177.88372
   70    68 S   HC   _H17    67     1.09499   110.95782    64.34157
   71    68 S   HC   _H18    68     1.09441   111.32127   -59.95630
  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
  16   7   2   1   1  13  13   6   8   4  12   4   1   1   6   3
   8   4   8   3   7   3   6   9   5   1   3   2   1   1   5   3
   5   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    57    39    40    43    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    47    55    57    58    39    40    43    49    66    44    45    46  
   38    41    57    39    40    43    44  
   36    37  
   37  
    0  
   41    42    47    48    51    55    57    58    59    39    40    43    44  
   40    43    49    50    53    63    66    67    44    45    46    41    57  
   43    49    66    44    45    46  
   42    47    48    51    52    55    57    58  
   47    48    51    57  
   49    50    53    54    56    63    64    66    67    44    45    46  
   45    46    49    66  
   46  
    0  
   48    51    52    55    57    59  
   51    52    55  
   50    53    54    56    63    66    67    65  
   53    54    56    66  
   52    55    57    58    59    60    61    62  
   55    57    59  
   54    56    63    64    66    65    68  
   56    63    65  
   57    58    59    60    61    62  
   63    64    66    67    65    68    69    70    71  
   58    59    60    61    62  
   59  
   60    61    62  
   61    62  
   62  
    0  
   64    66    67    65    68  
   66    67    65  
   68    69    70    71    66  
   67  
    0  
   69    70    71  
   70    71  
   71  
    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   0.222500   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   0.0700   0.200300   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.045000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0700  -0.240800   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   3.5500   0.0700   0.159600   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.157600   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.240800   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700   0.200300   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.2500   0.1700  -0.244500   1.9750   1.7500   0.001000000  -0.511443539
   58   0.0000   0.0000   0.368100   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   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    39   268.000  1.529
   38    41   469.000  1.400
   38    57   485.000  1.342
   41    42   367.000  1.080
   41    47   469.000  1.400
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    52   367.000  1.080
   51    55   469.000  1.400
   55    57   485.000  1.342
   55    59   317.000  1.510
   57    58   475.000  1.020
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   39    40   340.000  1.090
   39    43   317.000  1.510
   39    44   317.000  1.522
   43    49   469.000  1.400
   43    66   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    54   367.000  1.080
   53    56   469.000  1.400
   56    63   469.000  1.400
   56    65   450.000  1.364
   63    64   367.000  1.080
   63    66   469.000  1.400
   66    67   367.000  1.080
   65    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   44    45   656.000  1.250
   44    46   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    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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  120.00000
   33    38    57    70.00000  116.21300
   33    39    40    37.50000  110.70000
   33    39    43    70.00000  112.17500
   33    39    44    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    47    63.00000  120.00000
   38    57    55    70.00000  123.81700
   38    57    58    45.00000  117.56800
   41    47    48    35.00000  120.00000
   41    47    51    63.00000  120.00000
   47    41    42    35.00000  120.00000
   47    51    52    35.00000  120.00000
   47    51    55    63.00000  120.00000
   51    47    48    35.00000  120.00000
   51    55    57    70.00000  119.29800
   51    55    59    70.00000  120.00000
   55    51    52    35.00000  120.00000
   55    57    58    45.00000  117.56800
   55    59    60    35.00000  109.50000
   55    59    61    35.00000  109.50000
   55    59    62    35.00000  109.50000
   57    38    41    70.00000  119.29800
   59    55    57    70.00000  116.21300
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    43    49    70.00000  120.00000
   39    43    66    70.00000  120.00000
   39    44    45    70.00000  117.00000
   39    44    46    70.00000  117.00000
   43    39    40    35.00000  109.50000
   43    49    50    35.00000  120.00000
   43    49    53    63.00000  120.00000
   43    66    63    63.00000  120.00000
   43    66    67    35.00000  120.00000
   49    53    54    35.00000  120.00000
   49    53    56    63.00000  120.00000
   53    49    50    35.00000  120.00000
   53    56    63    63.00000  120.00000
   53    56    65    70.00000  120.00000
   56    53    54    35.00000  120.00000
   56    63    64    35.00000  120.00000
   56    63    66    63.00000  120.00000
   56    65    68    75.00000  111.00000
   63    66    67    35.00000  120.00000
   66    43    49    63.00000  120.00000
   66    63    64    35.00000  120.00000
   65    56    63    70.00000  120.00000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    43    70.00000  106.62600
   46    44    45    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   0.01700  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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    57   0.04300 -1.0 2.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    47   3.62500 -1.0 2.0
   33    38    57    55   3.62500 -1.0 2.0
   33    38    57    58   3.62500 -1.0 2.0
   33    39    43    49   0.04150 -1.0 2.0
   33    39    43    66   0.04150 -1.0 2.0
   33    39    44    45   0.41150 -1.0 2.0
   33    39    44    46   0.41150 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    57   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.43200  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    43  -0.94300  1.0 1.0
   38    33    39    43   1.32550 -1.0 2.0
   38    33    39    43  -0.07100  1.0 3.0
   38    33    39    44  -2.95950  1.0 1.0
   38    33    39    44   0.02300  1.0 3.0
   38    41    47    48   3.62500 -1.0 2.0
   38    41    47    51   3.62500 -1.0 2.0
   41    38    57    55   3.62500 -1.0 2.0
   41    38    57    58   3.62500 -1.0 2.0
   41    47    51    52   3.62500 -1.0 2.0
   41    47   -51    55   3.62500 -1.0 2.0
   42    41    47    48   3.62500 -1.0 2.0
   42    41    47    51   3.62500 -1.0 2.0
   47    51    55    57   3.62500 -1.0 2.0
   47    51    55    59   3.62500 -1.0 2.0
   48    47    51    52   3.62500 -1.0 2.0
   48    47    51    55   3.62500 -1.0 2.0
   51    55   -57    38   3.62500 -1.0 2.0
   51    55    57    58   3.62500 -1.0 2.0
   51    55    59    60   0.00000  1.0 1.0
   51    55    59    61   0.00000  1.0 1.0
   51    55    59    62   0.00000  1.0 1.0
   52    51    55    57   3.62500 -1.0 2.0
   52    51    55    59   3.62500 -1.0 2.0
   57    38    41    42   3.62500 -1.0 2.0
   57    38   -41    47   3.62500 -1.0 2.0
   57    55    59    60   0.00000  1.0 1.0
   57    55    59    61   0.00000  1.0 1.0
   57    55    59    62   0.00000  1.0 1.0
   59    55    57    38   3.62500 -1.0 2.0
   59    55    57    58   3.62500 -1.0 2.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    57   0.29300  1.0 1.0
   39    33    38    57  -1.19700 -1.0 2.0
   39    33    38    57   0.60900  1.0 3.0
   39    43    49    50   3.62500 -1.0 2.0
   39    43    49    53   3.62500 -1.0 2.0
   39    43    66    63   3.62500 -1.0 2.0
   39    43    66    67   3.62500 -1.0 2.0
   40    39    43    49   0.00000  1.0 1.0
   40    39    43    66   0.00000  1.0 1.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    46   0.00000  1.0 1.0
   43    39    44    45   0.30150 -1.0 2.0
   43    39    44    46   0.30150 -1.0 2.0
   43    49    53    54   3.62500 -1.0 2.0
   43    49    53    56   3.62500 -1.0 2.0
   49    43    66    63   3.62500 -1.0 2.0
   49    43    66    67   3.62500 -1.0 2.0
   49    53   -56    63   3.62500 -1.0 2.0
   49    53    56    65   3.62500 -1.0 2.0
   50    49    53    54   3.62500 -1.0 2.0
   50    49    53    56   3.62500 -1.0 2.0
   53    56    63    64   3.62500 -1.0 2.0
   53    56    63    66   3.62500 -1.0 2.0
   53    56    65    68   1.63200 -1.0 2.0
   54    53    56    63   3.62500 -1.0 2.0
   54    53    56    65   3.62500 -1.0 2.0
   56    63   -66    43   3.62500 -1.0 2.0
   56    63    66    67   3.62500 -1.0 2.0
   56    65    68    69   0.08050  1.0 3.0
   56    65    68    70   0.08050  1.0 3.0
   56    65    68    71   0.08050  1.0 3.0
   63    56    65    68   1.63200 -1.0 2.0
   64    63    66    43   3.62500 -1.0 2.0
   64    63    66    67   3.62500 -1.0 2.0
   66    43    49    50   3.62500 -1.0 2.0
   66    43   -49    53   3.62500 -1.0 2.0
   65    56    63    64   3.62500 -1.0 2.0
   65    56    63    66   3.62500 -1.0 2.0
   44    39    43    49   0.04300 -1.0 2.0
   44    39    43    66   0.04300 -1.0 2.0
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
   36    30    35    37  10.50000 -1.0 2.0
   41    57    38    33   4.00000 -1.0 2.0
   47    42    41    38   1.10000 -1.0 2.0
   51    48    47    41   1.10000 -1.0 2.0
   55    52    51    47   1.10000 -1.0 2.0
   59    57    55    51   4.00000 -1.0 2.0
   58    38    57    55   1.00000 -1.0 2.0
   49    66    43    39   4.00000 -1.0 2.0
   53    50    49    43   1.10000 -1.0 2.0
   56    54    53    49   1.10000 -1.0 2.0
   63    65    56    53   4.00000 -1.0 2.0
   66    64    63    56   1.10000 -1.0 2.0
   63    67    66    43   1.10000 -1.0 2.0
   45    39    44    46  10.50000 -1.0 2.0
END
