* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    140    223     417
    1     0 S   NP   _N1_     1    28.76933    96.14613   -22.36694
    2     1 S   H    _HN1     2     1.02784    98.08269   -97.22930
    3     1 S   H    _H1_     3     1.02948    75.25590     9.72292
    4     1 S   H    _H2_     4     1.02824    38.76861   154.17158
    5     1 S   CT   _CA1     5     1.50123   144.38561   114.28782
    6     5 S   HC   _HA1     6     1.09574   105.18291    84.71952
    7     5 S   CO3  _C1_     7     1.53792   112.36473   -35.47599
    8     7 S   O2Z  _O11     8     1.26378   115.00143   -44.19742
    9     7 S   O2Z  _O12     9     1.26234   114.94456   134.75923
   10     5 S   CT   _CB1    10     1.53064   107.38576  -157.35745
   11    10 S   HC   HB11    11     1.09835   109.37326   -49.67425
   12    10 S   HC   HB12    12     1.09811   110.46977    66.93687
   13    10 S   CT   _CG1    13     1.52975   112.59040  -170.63313
   14    13 S   HC   HG11    14     1.09586   110.62103   -65.63174
   15    13 S   HC   HG12    15     1.09668   109.80251    53.59168
   16    13 S   C    _CD1    16     1.51807   112.17169   174.03422
   17    16 S   O    _OE1    17     1.22738   123.30860     7.04166
   18    16 S   N    _N2_    18     1.38593   111.68249  -173.02470
   19    18 S   H    _HN2    19     1.01609   118.87393     0.89482
   20    18 S   CT1  _CA2    20     1.46231   123.54016   178.75715
   21    20 S   HC   _HA2    21     1.09732   109.36206     5.95434
   22    20 S   C    _C2_    22     1.53550   108.87538  -109.80614
   23    22 S   O    _O2_    23     1.23083   122.19378  -147.84809
   24    20 S   CT   _CB2    32     1.53509   111.26646   127.89483
   25    24 S   HC   HB21    33     1.09257   109.07026    57.94806
   26    24 S   HC   HB22    34     1.09448   110.02499   176.57189
   27    22 S   N    _N3_    24     1.38306   113.83864    39.61057
   28    27 S   H    _HN3    25     1.01571   119.62453    -3.33331
   29    24 S   S    _SG2    35     1.82927   110.89442   -63.90600
   30    27 S   CT   _CA3    26     1.45287   123.17444   177.11195
   31    30 S   HC   HA31    27     1.09551   107.51417   -64.31632
   32    30 S   HC   HA32    28     1.09558   107.96692    52.10180
   33    29 S   CT   _C9_    36     1.89071   102.69958   164.63179
   34    30 S   CO3  _C3_    29     1.52954   114.13059   174.10542
   35    34 S   O2Z  _O31    30     1.26369   116.09767    -0.48214
   36    34 S   O2Z  _O32    31     1.26436   114.39993   179.56704
   37    33 S   CT   _C8_    37     1.54813   105.28691    61.06577
   38    37 S   HC   _H13    38     1.09949   109.50474    44.51037
   39    37 S   HC   _H14    39     1.09773   109.83232   -71.50104
   40    33 S   CT   _C10    59     1.56056   111.63459   -60.88860
   41    40 S   HC   _H5_    60     1.09672   109.45648    65.95870
   42    33 S   CT   _C18    69     1.54180   102.37882   177.66989
   43    42 S   HC   _H19    70     1.09654   112.09700    59.32753
   44    42 S   HC   _H20    71     1.09751   111.44112   -61.20031
   45    42 S   HC   _H21    72     1.09005   112.86516   179.49759
   46    37 S   CT   _C7_    40     1.52594   117.49044   165.20052
   47    46 S   HC   _H11    41     1.09811   107.09677  -175.81587
   48    46 S   HC   _H12    42     1.09591   109.87733   -61.08085
   49    46 S   CT   _C6_    43     1.52163   113.86680    64.35914
   50    49 S   HC   _H4_    44     1.09996   109.31900    47.51597
   51    49 S   CT   _C5_    45     1.53258   114.45100   167.46927
   52    51 S   HC   _H3_    46     1.09556   109.55079   -89.08601
   53    51 S   CO4  _C13    47     1.50269   101.49233   155.52631
   54    53 S   O    _O34    48     1.22106   125.73542   162.36652
   55    51 S   CT   _C4_    65     1.52316   116.58369    37.02446
   56    55 S   HC   _H8_    66     1.09541   111.84664    53.89102
   57    55 S   HC   _H9_    67     1.09422   111.25215   -67.46717
   58    55 S   HC   _H10    68     1.09581   110.54694   173.14791
   59    53 S   OS   _O33    49     1.36348   109.73967   -19.27191
   60    49 S   CT   _C12    50     1.51821   113.74414   -74.73599
   61    60 S   HC   _H7_    51     1.09467   111.99370   -44.06886
   62    60 S   CT   _C11    52     1.53307   115.19801    85.03610
   63    62 S   HC   _H6_    53     1.10272   106.48749    75.11009
   64    62 S   CM   _C14    54     1.51979   114.28220  -169.93440
   65    64 S   CM   _C15    55     1.33526   114.10696   145.69069
   66    65 S   HC   _H15    56     1.07609   128.91507   176.06319
   67    64 S   CT   _C17    61     1.49245   122.35088   -38.92159
   68    67 S   HC   _H16    62     1.09439   110.47806   -54.79057
   69    67 S   HC   _H17    63     1.09545   111.59975  -174.31445
   70    67 S   HC   _H18    64     1.09407   110.81128    66.01717
   71    65 S   CO4  _C16    57     1.46512   105.90961    -1.31567
   72    71 S   O    _O35    58     1.22238   121.83150   167.13963
  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  13   5   4   3
  20   2   1   1  17   7   6  18   8   6   2   1   1  12   5   4
  15   8  11   8   9   3   5   2   1   1   5   7   3  10   4   8
   7   3   4   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    46    62    71    40    41    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    46    47    48    49    60    62    63    64    65    71    72    40    41    42    43    44    45  
   35    36  
   36  
    0  
   38    39    46    47    48    49    50    51    60    62    71    40    41    42    43    44    45  
   39    46    47    48    49    40    42  
   46    47    48    49    40    42  
   41    67    42    43    44    45    46    49    59    60    61    62    63    64    65    66    71    72  
   42    60    62    63    64    65    71    72  
   43    44    45    46    62    71  
   44    45  
   45  
    0  
   47    48    49    50    51    52    53    59    60    61    62    55  
   48    49    50    51    60  
   49    50    51    60  
   50    51    52    53    54    59    60    61    62    63    64    55    56    57    58  
   51    52    53    59    60    61    62    55  
   52    53    54    59    60    61    62    55    56    57    58  
   53    54    59    60    55    56    57    58  
   54    59    60    61    62    55    56    57    58  
   59    60    55  
   56    57    58    59    60  
   57    58  
   58  
    0  
   60    61    62    63    64  
   61    62    63    64    65    71    67  
   62    63    64  
   63    64    65    66    71    72    67    68    69    70  
   64    65    71    67  
   65    66    71    72    67    68    69    70  
   66    71    72    67    68    69    70  
   71    72    67  
   68    69    70    71  
   69    70  
   70  
    0  
   72  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    60   268.000  1.529
   51    52   340.000  1.090
   51    53   317.000  1.522
   51    55   268.000  1.529
   53    54   570.000  1.229
   53    59   214.000  1.327
   59    60   320.000  1.410
   60    61   340.000  1.090
   60    62   268.000  1.529
   62    63   340.000  1.090
   62    64   317.000  1.510
   62    40   268.000  1.529
   64    65   549.000  1.340
   64    67   317.000  1.510
   65    66   340.000  1.080
   65    71   320.000  1.462
   71    72   570.000  1.229
   71    40   317.000  1.522
   40    41   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    40    62    58.35000  112.70000
   33    40    71    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    37.50000  110.70000
   37    46    48    37.50000  110.70000
   37    46    49    58.35000  112.70000
   39    37    38    33.00000  107.80000
   46    37    38    37.50000  110.70000
   46    37    39    37.50000  110.70000
   46    49    50    37.50000  110.70000
   46    49    51    58.35000  112.70000
   46    49    60    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    51    52    37.50000  110.70000
   49    51    53    63.00000  111.10000
   49    51    55    58.35000  112.70000
   49    60    59    50.00000  109.50000
   49    60    61    37.50000  110.70000
   49    60    62    58.35000  112.70000
   51    49    50    37.50000  110.70000
   51    53    54    80.00000  120.40000
   51    53    59    81.00000  111.40000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    58    37.50000  110.70000
   53    51    52    35.00000  109.50000
   53    59    60    83.00000  116.90000
   59    53    54    83.00000  123.40000
   59    60    61    35.00000  109.50000
   59    60    62    50.00000  109.50000
   60    49    50    37.50000  110.70000
   60    49    51    58.35000  112.70000
   60    62    63    37.50000  110.70000
   60    62    64    70.00000  112.02700
   60    62    40    58.35000  112.70000
   62    60    61    37.50000  110.70000
   62    64    65    70.00000  124.00000
   62    64    67    65.00000  117.92700
   62    40    71    63.00000  111.10000
   62    40    41    37.50000  110.70000
   64    62    63    35.00000  109.50000
   64    65    66    35.00000  120.00000
   64    65    71    65.00000  118.96000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    35.00000  109.50000
   65    71    72    80.00000  123.72100
   65    71    40    65.00000  118.62400
   71    65    66    40.00000  117.72500
   71    40    41    35.00000  109.50000
   40    33    37    58.35000  112.70000
   40    62    63    37.50000  110.70000
   40    62    64    70.00000  112.02700
   40    71    72    80.00000  120.40000
   67    64    65    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    63.00000  111.10000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    40    62   0.44750  1.0 1.0
   29    33    40    62  -0.17800 -1.0 2.0
   29    33    40    62   0.20200  1.0 3.0
   29    33    40    71   0.56750  1.0 1.0
   29    33    40    71  -0.07550 -1.0 2.0
   29    33    40    71   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    48   0.15000  1.0 3.0
   33    37    46    49   0.56750  1.0 1.0
   33    37    46    49  -0.07550 -1.0 2.0
   33    37    46    49   0.20000  1.0 3.0
   37    33    40    62   0.56750  1.0 1.0
   37    33    40    62  -0.07550 -1.0 2.0
   37    33    40    62   0.20000  1.0 3.0
   37    33    40    71  -0.95700  1.0 1.0
   37    33    40    71  -0.18200 -1.0 2.0
   37    33    40    71   0.29450  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    49    50   0.15000  1.0 3.0
   37    46    49    51   0.56750  1.0 1.0
   37    46    49    51  -0.07550 -1.0 2.0
   37    46    49    51   0.20000  1.0 3.0
   37    46    49    60   0.56750  1.0 1.0
   37    46    49    60  -0.07550 -1.0 2.0
   37    46    49    60   0.20000  1.0 3.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    48   0.15000  1.0 3.0
   38    37    46    49   0.15000  1.0 3.0
   39    37    46    47   0.15000  1.0 3.0
   39    37    46    48   0.15000  1.0 3.0
   39    37    46    49   0.15000  1.0 3.0
   46    49    51    52   0.15000  1.0 3.0
   46    49    51    53  -0.95700  1.0 1.0
   46    49    51    53  -0.18200 -1.0 2.0
   46    49    51    53   0.29450  1.0 3.0
   46    49    51    55   0.56750  1.0 1.0
   46    49    51    55  -0.07550 -1.0 2.0
   46    49    51    55   0.20000  1.0 3.0
   46    49    60    59   0.62750  1.0 1.0
   46    49    60    59  -0.30950 -1.0 2.0
   46    49    60    59   0.27300  1.0 3.0
   46    49    60    61   0.15000  1.0 3.0
   46    49    60    62   0.56750  1.0 1.0
   46    49    60    62  -0.07550 -1.0 2.0
   46    49    60    62   0.20000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    60   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51   0.15000  1.0 3.0
   48    46    49    60   0.15000  1.0 3.0
   49    51    53    54   0.30150 -1.0 2.0
   49    51   -53    59   0.36750  1.0 3.0
   49    51    55    56   0.15000  1.0 3.0
   49    51    55    57   0.15000  1.0 3.0
   49    51    55    58   0.15000  1.0 3.0
   49    60    62    63   0.15000  1.0 3.0
   49    60    62    64   0.34400  1.0 1.0
   49    60    62    64   0.09450 -1.0 2.0
   49    60    62    64   0.11100  1.0 3.0
   49    60    62    40   0.56750  1.0 1.0
   49    60    62    40  -0.07550 -1.0 2.0
   49    60    62    40   0.20000  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53  -0.11250  1.0 3.0
   50    49    51    55   0.15000  1.0 3.0
   50    49    60    59   0.23400  1.0 3.0
   50    49    60    61   0.15000  1.0 3.0
   50    49    60    62   0.15000  1.0 3.0
   51    49   -60    59   0.62750  1.0 1.0
   51    49   -60    59  -0.30950 -1.0 2.0
   51    49   -60    59   0.27300  1.0 3.0
   51    49    60    61   0.15000  1.0 3.0
   51    49    60    62   0.56750  1.0 1.0
   51    49    60    62  -0.07550 -1.0 2.0
   51    49    60    62   0.20000  1.0 3.0
   51    53   -59    60   1.63150  1.0 1.0
   51    53   -59    60   2.92000 -1.0 2.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    59   0.00000  1.0 1.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    58   0.15000  1.0 3.0
   53    51    55    56  -0.11250  1.0 3.0
   53    51    55    57  -0.11250  1.0 3.0
   53    51    55    58  -0.11250  1.0 3.0
   53    59   -60    49  -0.25900  1.0 1.0
   53    59   -60    49  -0.47000 -1.0 2.0
   53    59   -60    49   0.11750  1.0 3.0
   53    59    60    61   0.08050  1.0 3.0
   53    59    60    62  -0.25900  1.0 1.0
   53    59    60    62  -0.47000 -1.0 2.0
   53    59    60    62   0.11750  1.0 3.0
   54    53    59    60   3.00000 -1.0 2.0
   59    60    62    63   0.23400  1.0 3.0
   59    60    62    64   0.61850  1.0 1.0
   59    60    62    64  -0.22750 -1.0 2.0
   59    60    62    64   0.15300  1.0 3.0
   59    60    62    40   0.62750  1.0 1.0
   59    60    62    40  -0.30950 -1.0 2.0
   59    60    62    40   0.27300  1.0 3.0
   60    49    51    52   0.15000  1.0 3.0
   60    49   -51    53  -0.95700  1.0 1.0
   60    49   -51    53  -0.18200 -1.0 2.0
   60    49   -51    53   0.29450  1.0 3.0
   60    49    51    55   0.56750  1.0 1.0
   60    49    51    55  -0.07550 -1.0 2.0
   60    49    51    55   0.20000  1.0 3.0
   60    62    64    65   0.09850  1.0 1.0
   60    62    64    65   0.15250 -1.0 2.0
   60    62    64    65  -0.50650  1.0 3.0
   60    62    64    67   0.46850  1.0 1.0
   60    62    64    67   0.08550 -1.0 2.0
   60    62    64    67   0.09800  1.0 3.0
   60    62    40    33   0.56750  1.0 1.0
   60    62    40    33  -0.07550 -1.0 2.0
   60    62    40    33   0.20000  1.0 3.0
   60    62    40    71  -0.95700  1.0 1.0
   60    62    40    71  -0.18200 -1.0 2.0
   60    62    40    71   0.29450  1.0 3.0
   60    62    40    41   0.15000  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    64   0.15000  1.0 3.0
   61    60    62    40   0.15000  1.0 3.0
   62    64    65    66   7.00000 -1.0 2.0
   62    64   -65    71   7.00000 -1.0 2.0
   62    64    67    68   0.34800  1.0 3.0
   62    64    67    69   0.34800  1.0 3.0
   62    64    67    70   0.34800  1.0 3.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    67   0.34800  1.0 3.0
   63    62    40    33   0.15000  1.0 3.0
   63    62    40    71  -0.11250  1.0 3.0
   63    62    40    41   0.15000  1.0 3.0
   64    62    40    33   0.34400  1.0 1.0
   64    62    40    33   0.09450 -1.0 2.0
   64    62    40    33   0.11100  1.0 3.0
   64    62   -40    71  -0.98800  1.0 1.0
   64    62   -40    71   0.48800 -1.0 2.0
   64    62   -40    71   0.76800  1.0 3.0
   64    62    40    41   0.15000  1.0 3.0
   64    65    71    72   1.00000 -1.0 2.0
   64    65   -71    40  -0.33500  1.0 1.0
   64    65   -71    40   1.06600 -1.0 2.0
   64    65   -71    40  -0.14000  1.0 3.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    69   0.00000  1.0 1.0
   65    64    67    70   0.00000  1.0 1.0
   65    71    40    33   0.65300  1.0 1.0
   65    71    40    33  -0.03850 -1.0 2.0
   65    71    40    33   0.33900  1.0 3.0
   65    71   -40    62   0.65300  1.0 1.0
   65    71   -40    62  -0.03850 -1.0 2.0
   65    71   -40    62   0.33900  1.0 3.0
   65    71    40    41   0.00000  1.0 1.0
   66    65    71    72   0.00000  1.0 1.0
   66    65    71    40   0.04550  1.0 1.0
   66    65    71    40   0.83000 -1.0 2.0
   66    65    71    40  -0.04000  1.0 3.0
   72    71    40    33   0.30150 -1.0 2.0
   72    71    40    62   0.30150 -1.0 2.0
   72    71    40    41   0.00000  1.0 1.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    46   0.56750  1.0 1.0
   40    33    37    46  -0.07550 -1.0 2.0
   40    33    37    46   0.20000  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    45   0.15000  1.0 3.0
   40    62   -64    65   0.09850  1.0 1.0
   40    62   -64    65   0.15250 -1.0 2.0
   40    62   -64    65  -0.50650  1.0 3.0
   40    62    64    67   0.46850  1.0 1.0
   40    62    64    67   0.08550 -1.0 2.0
   40    62    64    67   0.09800  1.0 3.0
   67    64    65    66   7.00000 -1.0 2.0
   67    64    65    71   7.00000 -1.0 2.0
   55    51    53    54   0.30150 -1.0 2.0
   55    51    53    59   0.36750  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    46   0.56750  1.0 1.0
   42    33    37    46  -0.07550 -1.0 2.0
   42    33    37    46   0.20000  1.0 3.0
   42    33    40    62   0.56750  1.0 1.0
   42    33    40    62  -0.07550 -1.0 2.0
   42    33    40    62   0.20000  1.0 3.0
   42    33    40    71  -0.95700  1.0 1.0
   42    33    40    71  -0.18200 -1.0 2.0
   42    33    40    71   0.29450  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
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
   51    59    53    54  10.50000 -1.0 2.0
   62    67    64    65   1.10000 -1.0 2.0
   71    66    65    64   1.10000 -1.0 2.0
   65    40    71    72  10.50000 -1.0 2.0
END
