* LIGAND DATABASE FILE (OPLS2005)
*
001      74    74    128    184     368
    1     0 S   NP   _N1_     1    28.76140    97.44308   -22.92134
    2     1 S   H    _HN1     2     1.02949    65.51646    14.24040
    3     1 S   H    _H1_     3     1.02828    46.34365   165.94981
    4     1 S   H    _H2_     4     1.02787   101.98596   -90.66675
    5     1 S   CT   _CA1     5     1.50111   144.43600   105.49374
    6     5 S   HC   _HA1     6     1.09573   105.19647   101.55235
    7     5 S   CO3  _C1_     7     1.53788   112.46922   -18.69120
    8     7 S   O2Z  _O11     8     1.26372   115.00963   -42.55925
    9     7 S   O2Z  _O12     9     1.26241   114.94660   136.58904
   10     5 S   CT   _CB1    10     1.53079   107.42223  -140.46052
   11    10 S   HC   HB11    11     1.09833   109.37598   -49.70419
   12    10 S   HC   HB12    12     1.09813   110.44621    66.90458
   13    10 S   CT   _CG1    13     1.52990   112.60346  -170.67941
   14    13 S   HC   HG11    14     1.09581   110.63482   -65.61179
   15    13 S   HC   HG12    15     1.09670   109.78344    53.62033
   16    13 S   C    _CD1    16     1.51798   112.22038   174.08262
   17    16 S   O    _OE1    17     1.22733   123.28265     7.08972
   18    16 S   N    _N2_    18     1.38649   111.67678  -172.98200
   19    18 S   H    _HN2    19     1.01577   118.94763     1.67281
   20    18 S   CT1  _CA2    20     1.46200   123.40341   177.55880
   21    20 S   HC   _HA2    21     1.09735   109.36138     3.63798
   22    20 S   C    _C2_    22     1.53572   108.62850  -111.88177
   23    22 S   O    _O2_    23     1.23062   122.29431  -147.73844
   24    20 S   CT   _CB2    32     1.53307   111.59583   125.65948
   25    24 S   HC   HB21    33     1.09589   110.07670    56.44991
   26    24 S   HC   HB22    34     1.09463   109.92391   175.50743
   27    22 S   N    _N3_    24     1.38330   113.72159    39.68595
   28    27 S   H    _HN3    25     1.01578   119.59864    -3.23616
   29    24 S   S    _SG2    35     1.82826   111.54357   -64.51616
   30    27 S   CT   _CA3    26     1.45287   123.22393   177.17485
   31    30 S   HC   HA31    27     1.09548   107.50531   -64.77327
   32    30 S   HC   HA32    28     1.09557   107.99449    51.67116
   33    29 S   CT   _C16    36     1.84434    99.60764   173.03230
   34    33 S   HC   _H4_    37     1.09665   105.81793   -50.67170
   35    30 S   CO3  _C3_    29     1.52963   114.06983   173.66884
   36    35 S   O2Z  _O31    30     1.26378   116.06734    -0.73115
   37    35 S   O2Z  _O32    31     1.26427   114.41638   179.33060
   38    33 S   CA   _C7_    38     1.52138   111.44102    68.53160
   39    33 S   CT   _C17    69     1.53518   108.50831  -166.43680
   40    39 S   HC   _H16    70     1.09851   110.05417    54.05173
   41    39 S   HC   _H17    71     1.09751   111.40527   -64.14801
   42    38 S   CA   _C6_    39     1.40789   121.60936    65.19270
   43    42 S   HA   _H8_    40     1.08592   118.43400    -0.05935
   44    39 S   CO3  _C18    72     1.53324   113.59835   172.36984
   45    44 S   O2Z  _O41    73     1.26236   115.99583   -37.90144
   46    44 S   O2Z  _O40    74     1.26401   114.51472   143.20998
   47    42 S   CA   _C5_    41     1.39603   120.87163  -179.42665
   48    47 S   CA   _C10    42     1.40121   118.39003    -0.52934
   49    47 S   OS   _O33    64     1.36958   125.46571   179.15350
   50    48 S   CA   _C9_    43     1.40072   122.25406     1.07465
   51    48 S   OS   _O34    51     1.40423   118.79853   178.17147
   52    49 S   CT   _C4_    65     1.42208   117.08484     2.82757
   53    52 S   HC   _H5_    66     1.09427   107.73598   178.42890
   54    52 S   HC   _H6_    67     1.09505   111.19748    60.66654
   55    52 S   HC   _H7_    68     1.09494   111.08971   -63.87461
   56    38 S   CA   _C8_    44     1.40800   119.18783  -114.31259
   57    56 S   HA   _H9_    45     1.08646   118.18979    -0.38866
   58    50 S   OS   _O39    46     1.36946   116.19985   178.69929
   59    51 S   CO4  _C11    52     1.39421   113.19060    90.42232
   60    59 S   O    _O35    53     1.22454   126.25824     2.00565
   61    58 S   CT   _C15    47     1.42225   117.04056   178.13722
   62    61 S   HC   _H13    48     1.09427   107.73870  -178.96184
   63    61 S   HC   _H14    49     1.09498   111.10810    63.33474
   64    61 S   HC   _H15    50     1.09503   111.17871   -61.21506
   65    59 S   CT   _C12    54     1.51986   108.50982  -178.95582
   66    65 S   HC   _H3_    55     1.09581   108.22254   -54.46842
   67    65 S   CT   _C13    56     1.52499   110.97383    69.51334
   68    67 S   HC   _H10    57     1.09688   110.36589   -48.05385
   69    67 S   HC   _H11    58     1.09754   109.94987    70.20438
   70    65 S   OH   _O38    62     1.42348   107.65165  -170.61678
   71    70 S   HO   _H12    63     0.97492   106.58159   178.07268
   72    67 S   CO3  _C14    59     1.53228   114.36007  -169.43389
   73    72 S   O2Z  _O37    60     1.26444   114.27102   164.84286
   74    72 S   O2Z  _O36    61     1.26221   116.33844   -15.76594
  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  13   7   4   3   9   4   2   1   1  11  11
   6   9   8   3   2   1   1   3   1   4   9   4   3   2   1   1
   9   6   7   5   4   2   1   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    42    56    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    47    50    56    57    39    40    41    44    45    46  
   38    42    56    39    40    41    44  
   36    37  
   37  
    0  
   42    43    47    48    50    56    57    58    49    39    40    41    44  
   40    41    44    45    46    42    56  
   41    44    45    46  
   44    45    46  
   43    47    48    50    56    57    51    49    52  
   47    48    56    49  
   45    46  
   46  
    0  
   48    50    56    58    51    59    49    52    53    54    55  
   50    56    57    58    61    51    59    60    65    49    52  
   52    53    54    55    50    51  
   56    57    58    61    62    63    64    51    59  
   59    60    65    66    67    70    56    58  
   53    54    55  
   54    55  
   55  
    0  
   57    58    61  
   58  
   61    62    63    64  
   60    65    66    67    68    69    72    70    71  
   65    66    67    70  
   62    63    64  
   63    64  
   64  
    0  
   66    67    68    69    72    73    74    70    71  
   67    68    69    72    70    71  
   68    69    72    73    74    70    71  
   69    72    73    74    70  
   72    73    74    70  
   71    72  
    0  
   73    74  
   74  
    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  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   49   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.800000   1.7000   1.5000   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    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    42   469.000  1.400
   38    56   469.000  1.400
   42    43   367.000  1.080
   42    47   469.000  1.400
   47    48   469.000  1.400
   47    49   450.000  1.364
   48    50   469.000  1.400
   48    51   450.000  1.364
   50    56   469.000  1.400
   50    58   450.000  1.364
   56    57   367.000  1.080
   58    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   51    59   214.000  1.327
   59    60   570.000  1.229
   59    65   317.000  1.522
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    70   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   317.000  1.522
   72    73   656.000  1.250
   72    74   656.000  1.250
   70    71   553.000  0.945
   49    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   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    42    70.00000  120.00000
   33    38    56    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    47    63.00000  120.00000
   38    56    50    63.00000  120.00000
   38    56    57    35.00000  120.00000
   42    47    48    63.00000  120.00000
   42    47    49    70.00000  120.00000
   47    42    43    35.00000  120.00000
   47    48    50    63.00000  120.00000
   47    48    51    70.00000  120.00000
   47    49    52    75.00000  111.00000
   48    50    56    63.00000  120.00000
   48    50    58    70.00000  120.00000
   48    51    59    85.00000  115.98000
   50    56    57    35.00000  120.00000
   50    58    61    75.00000  111.00000
   56    38    42    63.00000  120.00000
   58    50    56    70.00000  120.00000
   58    61    62    35.00000  109.50000
   58    61    63    35.00000  109.50000
   58    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   51    48    50    70.00000  120.00000
   51    59    60    83.00000  123.40000
   51    59    65    81.00000  111.40000
   59    65    66    35.00000  109.50000
   59    65    67    63.00000  111.10000
   59    65    70    90.00000  109.61100
   65    59    60    80.00000  120.40000
   65    67    68    37.50000  110.70000
   65    67    69    37.50000  110.70000
   65    67    72    70.00000  109.69300
   65    70    71    55.00000  108.50000
   67    65    66    37.50000  110.70000
   67    72    73    70.00000  117.00000
   67    72    74    70.00000  117.00000
   69    67    68    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    69    35.00000  109.50000
   74    72    73    80.00000  126.00000
   70    65    66    35.00000  109.50000
   70    65    67    50.00000  109.50000
   49    47    48    70.00000  120.00000
   49    52    53    35.00000  109.50000
   49    52    54    35.00000  109.50000
   49    52    55    35.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    70.00000  117.00000
   39    44    46    70.00000  117.00000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   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    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    56  -0.16000  1.0 1.0
   29    33    38    56  -0.03200 -1.0 2.0
   29    33    38    56   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  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    42    43   3.62500 -1.0 2.0
   33    38    42    47   3.62500 -1.0 2.0
   33    38    56    50   3.62500 -1.0 2.0
   33    38    56    57   3.62500 -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    42   0.00000  1.0 1.0
   34    33    38    56   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  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    41   0.43200  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    42    47    48   3.62500 -1.0 2.0
   38    42    47    49   3.62500 -1.0 2.0
   42    38    56    50   3.62500 -1.0 2.0
   42    38    56    57   3.62500 -1.0 2.0
   42    47   -48    50   3.62500 -1.0 2.0
   42    47    48    51   3.62500 -1.0 2.0
   42    47    49    52   1.63200 -1.0 2.0
   43    42    47    48   3.62500 -1.0 2.0
   43    42    47    49   3.62500 -1.0 2.0
   47    48    50    56   3.62500 -1.0 2.0
   47    48    50    58   3.62500 -1.0 2.0
   47    48    51    59   0.01300  1.0 1.0
   47    48    51    59   0.97950 -1.0 2.0
   47    48    51    59  -0.55700  1.0 3.0
   47    49    52    53   0.08050  1.0 3.0
   47    49    52    54   0.08050  1.0 3.0
   47    49    52    55   0.08050  1.0 3.0
   48    47    49    52   1.63200 -1.0 2.0
   48    50   -56    38   3.62500 -1.0 2.0
   48    50    56    57   3.62500 -1.0 2.0
   48    50    58    61   1.63200 -1.0 2.0
   48    51    59    60   3.00000 -1.0 2.0
   48    51    59    65   0.75600  1.0 1.0
   48    51    59    65   1.63000 -1.0 2.0
   50    48    51    59   0.01300  1.0 1.0
   50    48    51    59   0.97950 -1.0 2.0
   50    48    51    59  -0.55700  1.0 3.0
   50    58    61    62   0.08050  1.0 3.0
   50    58    61    63   0.08050  1.0 3.0
   50    58    61    64   0.08050  1.0 3.0
   56    38    42    43   3.62500 -1.0 2.0
   56    38   -42    47   3.62500 -1.0 2.0
   56    50    58    61   1.63200 -1.0 2.0
   58    50    56    38   3.62500 -1.0 2.0
   58    50    56    57   3.62500 -1.0 2.0
   51    48    50    56   3.62500 -1.0 2.0
   51    48    50    58   3.62500 -1.0 2.0
   51    59    65    66   0.00000  1.0 1.0
   51    59    65    67   0.36750  1.0 3.0
   51    59    65    70   0.30750  1.0 1.0
   51    59    65    70   1.13850 -1.0 2.0
   51    59    65    70   0.38850  1.0 3.0
   59    65    67    68  -0.11250  1.0 3.0
   59    65    67    69  -0.11250  1.0 3.0
   59    65    67    72  -0.30950  1.0 1.0
   59    65    67    72   1.11150 -1.0 2.0
   59    65    67    72   0.40350  1.0 3.0
   59    65    70    71   0.91850  1.0 1.0
   59    65    70    71   0.57950  1.0 3.0
   60    59    65    66   0.00000  1.0 1.0
   60    59    65    67   0.30150 -1.0 2.0
   60    59    65    70   0.30150 -1.0 2.0
   65    67    72    73   0.41150 -1.0 2.0
   65    67    72    74   0.41150 -1.0 2.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    72  -0.11250  1.0 3.0
   66    65    70    71   0.19450  1.0 3.0
   67    65    70    71  -0.11600  1.0 1.0
   67    65    70    71  -0.09450 -1.0 2.0
   67    65    70    71   0.21250  1.0 3.0
   68    67    72    73   0.00000  1.0 1.0
   68    67    72    74   0.00000  1.0 1.0
   69    67    72    73   0.00000  1.0 1.0
   69    67    72    74   0.00000  1.0 1.0
   70    65    67    68   0.23400  1.0 3.0
   70    65    67    69   0.23400  1.0 3.0
   70    65    67    72  -5.33000  1.0 1.0
   70    65    67    72  -0.54250 -1.0 2.0
   70    65    67    72  -0.07300  1.0 3.0
   49    47    48    50   3.62500 -1.0 2.0
   49    47    48    51   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    56   0.04150 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    46   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    46   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    56    38    33   4.00000 -1.0 2.0
   47    43    42    38   1.10000 -1.0 2.0
   48    49    47    42   4.00000 -1.0 2.0
   50    51    48    47   4.00000 -1.0 2.0
   56    58    50    48   4.00000 -1.0 2.0
   50    57    56    38   1.10000 -1.0 2.0
   51    65    59    60  10.50000 -1.0 2.0
   73    67    72    74  10.50000 -1.0 2.0
   45    39    44    46  10.50000 -1.0 2.0
END
