* LIGAND DATABASE FILE (OPLS2005)
*
001      63    63    113    170     335
    1     0 S   NP   _N1_     1    28.90764    97.29840   -23.32566
    2     1 S   H    _HN1     2     1.02798   108.67212   -96.21308
    3     1 S   H    _H1_     3     1.02945    65.01095     5.89708
    4     1 S   H    _H2_     4     1.02825    44.11968   167.05228
    5     1 S   CT   _CA1     5     1.50135   137.74100    99.29412
    6     5 S   HC   _HA1     6     1.09572   105.14734   102.84630
    7     5 S   CO3  _C1_     7     1.53756   112.48394   -17.37191
    8     7 S   O2Z  _O11     8     1.26380   114.99945   -41.97452
    9     7 S   O2Z  _O12     9     1.26229   114.93954   137.00062
   10     5 S   CT   _CB1    10     1.53045   107.39873  -139.15947
   11    10 S   HC   HB11    11     1.09847   109.32347   -48.97310
   12    10 S   HC   HB12    12     1.09810   110.47559    67.61007
   13    10 S   CT   _CG1    13     1.53046   112.67275  -169.87863
   14    13 S   HC   HG11    14     1.09559   110.81433   -68.29764
   15    13 S   HC   HG12    15     1.09664   109.64529    50.97040
   16    13 S   C    _CD1    16     1.51812   111.76305   171.52696
   17    16 S   O    _OE1    17     1.22774   123.08593    16.69547
   18    16 S   N    _N2_    18     1.38647   111.99570  -163.39786
   19    18 S   H    _HN2    19     1.01578   118.99990     0.83977
   20    18 S   CT1  _CA2    20     1.46209   123.26948   175.63987
   21    20 S   HC   _HA2    21     1.09738   109.29404     8.33355
   22    20 S   C    _C2_    22     1.53693   108.79268  -107.18769
   23    22 S   O    _O2_    23     1.23085   122.19578  -148.27124
   24    20 S   CT   _CB2    32     1.53347   111.75812   130.38322
   25    24 S   HC   HB21    33     1.09422   109.95249    57.54985
   26    24 S   HC   HB22    34     1.09523   109.91821   176.39142
   27    22 S   N    _N3_    24     1.38291   113.88270    39.13290
   28    27 S   H    _HN3    25     1.01537   119.64836    -2.96200
   29    24 S   S    _SG2    35     1.82656   111.58148   -63.94340
   30    27 S   CT   _CA3    26     1.45283   123.33928   177.37915
   31    30 S   HC   HA31    27     1.09545   107.49095   -65.62950
   32    30 S   HC   HA32    28     1.09554   108.03606    50.85218
   33    29 S   CT   _C8_    36     1.85250    99.90049  -176.08759
   34    33 S   HC   _H5_    37     1.09594   107.01344    26.28239
   35    30 S   CO3  _C3_    29     1.52994   113.99725   172.87531
   36    35 S   O2Z  _O31    30     1.26392   116.07797    -0.28255
   37    35 S   O2Z  _O32    31     1.26422   114.41940   179.77971
   38    33 S   CT   _C7_    38     1.54125   112.14968   -93.54779
   39    38 S   HC   _H4_    39     1.09894   108.04294   170.62889
   40    38 S   CT   _C6_    40     1.53936   112.27127   -70.31004
   41    40 S   HC   _H3_    41     1.09698   109.51481    71.64913
   42    38 S   OH   _O37    62     1.42435   111.58066    54.44858
   43    42 S   HO   _H16    63     0.97218   107.59434    61.06843
   44    40 S   CO   _C10    42     1.53954   110.46159   -49.26642
   45    44 S   HC   _H7_    43     1.09763   110.78565   -70.84824
   46    40 S   N    _N4_    54     1.46797   110.03294  -170.90076
   47    46 S   H    _H11    55     1.01531   117.91336    77.52393
   48    44 S   OS   _O34    44     1.42567   111.63191    51.11025
   49    44 S   OH   _O35    52     1.42592   108.35215   171.26545
   50    49 S   HO   _H12    53     0.97186   106.67106   160.39126
   51    46 S   C    _C5_    56     1.38397   123.15895   -98.70136
   52    51 S   O    _O33    57     1.22749   125.79149    -0.96347
   53    33 S   CT   _C9_    45     1.54230   111.18061   145.13923
   54    53 S   HC   _H6_    46     1.09911   109.26172  -177.13556
   55    51 S   CT   _C4_    58     1.50484   112.27330   178.34767
   56    55 S   HC   _H8_    59     1.09379   110.25942    49.69127
   57    55 S   HC   _H9_    60     1.09349   109.69502   169.34283
   58    55 S   HC   _H10    61     1.09344   109.49335   -70.83928
   59    53 S   CT   _C11    47     1.53077   114.04186   -56.52397
   60    59 S   HC   _H13    48     1.09419   111.93335    76.67624
   61    59 S   HC   _H14    49     1.09430   111.10764   -46.63530
   62    59 S   OH   _O36    50     1.42651   108.77632  -165.08841
   63    62 S   HO   _H15    51     0.97249   106.98237  -178.11997
  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  10   5   4   3
  16   8   2   1   1  15   7  14   8   4   1  10   5   9   3   8
   2   1   5   4   6   4   3   2   1   1   4   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    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    53    54    59    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    53    54    59    60    61    62    46    42    43  
   38    39    40    48    53    54    59    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    53    54    59    49    46    47    51    42    43  
   40    41    44    53    46    42    43  
   41    44    45    48    53    49    50    46    47    51    52    55    42    43  
   44    45    48    49    46    47    51    42  
   43    44    46    53  
    0  
   45    48    53    54    59    49    50    46    47    51  
   48    53    49    50    46  
   47    51    52    55    56    57    58    48    49  
   51    52    55  
   53    54    59    60    61    62    49    50  
   50    53  
    0  
   52    55    56    57    58  
   55    56    57    58  
   54    59    60    61    62    63  
   59    60    61    62  
   56    57    58  
   57    58  
   58  
    0  
   60    61    62    63  
   61    62    63  
   62    63  
   63  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   46   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   47   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   48   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   53   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   268.000  1.529
   33    53   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   250.000  1.527
   40    46   337.000  1.449
   44    45   340.000  1.090
   44    48   320.000  1.380
   44    49   380.000  1.407
   48    53   320.000  1.410
   53    54   340.000  1.090
   53    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   320.000  1.410
   62    63   553.000  0.945
   49    50   553.000  0.945
   46    47   434.000  1.010
   46    51   490.000  1.335
   51    52   570.000  1.229
   51    55   317.000  1.522
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   42    43   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    53    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    53    48    50.00000  109.50000
   33    53    54    37.50000  110.70000
   33    53    59    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    75.00000  109.43000
   38    40    46    70.00000  110.72300
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    45.00000  112.01100
   40    44    48    90.00000  108.56700
   40    44    49    90.00000  110.19100
   40    46    47    38.00000  118.40000
   40    46    51    50.00000  121.90000
   44    40    41    45.00000  108.72000
   44    48    53    60.00000  109.50000
   44    49    50    70.00000  107.92000
   48    44    45    35.00000  109.50000
   48    53    54    35.00000  109.50000
   48    53    59    50.00000  109.50000
   53    33    34    37.50000  110.70000
   53    33    38    58.35000  112.70000
   53    59    60    37.50000  110.70000
   53    59    61    37.50000  110.70000
   53    59    62    50.00000  109.50000
   59    53    54    37.50000  110.70000
   59    62    63    55.00000  108.50000
   61    59    60    33.00000  107.80000
   62    59    60    35.00000  109.50000
   62    59    61    35.00000  109.50000
   49    44    45    60.00000  108.02500
   49    44    48   110.00000  112.08000
   46    40    41    35.00000  109.50000
   46    40    44    70.00000  110.72300
   46    51    52    80.00000  122.90000
   46    51    55    70.00000  116.60000
   51    46    47    35.00000  119.80000
   51    55    56    35.00000  109.50000
   51    55    57    35.00000  109.50000
   51    55    58    35.00000  109.50000
   55    51    52    80.00000  120.40000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    53    48   0.56750  1.0 1.0
   29    33    53    48  -0.07550 -1.0 2.0
   29    33    53    48   0.20000  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    59   0.44750  1.0 1.0
   29    33    53    59  -0.17800 -1.0 2.0
   29    33    53    59   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   3.97050  1.0 1.0
   33    38    40    46  -0.27100  1.0 1.0
   33    38    40    46  -0.01700 -1.0 2.0
   33    38    40    46  -0.48600  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    53    59    60   0.15000  1.0 3.0
   33    53    59    61   0.15000  1.0 3.0
   33    53    59    62   0.86500  1.0 1.0
   33    53    59    62  -0.17500 -1.0 2.0
   33    53    59    62   0.20800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    53    48   0.23400  1.0 3.0
   34    33    53    54   0.15000  1.0 3.0
   34    33    53    59   0.15000  1.0 3.0
   38    33    53    48   0.62750  1.0 1.0
   38    33    53    48  -0.30950 -1.0 2.0
   38    33    53    48   0.27300  1.0 3.0
   38    33    53    54   0.15000  1.0 3.0
   38    33    53    59   0.56750  1.0 1.0
   38    33    53    59  -0.07550 -1.0 2.0
   38    33    53    59   0.20000  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    48   0.62750  1.0 1.0
   38    40   -44    48  -0.30950 -1.0 2.0
   38    40   -44    48   0.27300  1.0 3.0
   38    40    44    49   0.86500  1.0 1.0
   38    40    44    49  -0.17500 -1.0 2.0
   38    40    44    49   0.20800  1.0 3.0
   38    40    46    47   0.00000  1.0 1.0
   38    40    46    51  -0.43950  1.0 1.0
   38    40    46    51  -0.08100 -1.0 2.0
   38    40    46    51   0.03350  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.15000  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    48    53   0.06250  1.0 1.0
   40    44    48    53  -0.01100 -1.0 2.0
   40    44    48    53   0.28050  1.0 3.0
   40    44    49    50  -0.11600  1.0 1.0
   40    44    49    50  -0.09450 -1.0 2.0
   40    44    49    50   0.21250  1.0 3.0
   40    46    51    52   3.04450 -1.0 2.0
   40    46    51    55   1.49850  1.0 1.0
   40    46    51    55   1.53950 -1.0 2.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    48   0.23400  1.0 3.0
   41    40    44    49   0.23400  1.0 3.0
   41    40    46    47   0.00000  1.0 1.0
   41    40    46    51   0.00000  1.0 1.0
   44    40    46    47   0.00000  1.0 1.0
   44    40    46    51  -0.43950  1.0 1.0
   44    40    46    51  -0.08100 -1.0 2.0
   44    40    46    51   0.03350  1.0 3.0
   44    48   -53    33   0.06250  1.0 1.0
   44    48   -53    33  -0.01100 -1.0 2.0
   44    48   -53    33   0.28050  1.0 3.0
   44    48    53    54   0.37050  1.0 3.0
   44    48    53    59   0.06250  1.0 1.0
   44    48    53    59  -0.01100 -1.0 2.0
   44    48    53    59   0.28050  1.0 3.0
   45    44    48    53   0.37050  1.0 3.0
   45    44    49    50   0.19450  1.0 3.0
   48    44    49    50  -0.50000  1.0 1.0
   48    44    49    50  -0.73950 -1.0 2.0
   48    44    49    50   0.17150  1.0 3.0
   48    53    59    60   0.23400  1.0 3.0
   48    53    59    61   0.23400  1.0 3.0
   48    53    59    62   3.69350  1.0 1.0
   48    53    59    62  -1.82950 -1.0 2.0
   53    33    38    39   0.15000  1.0 3.0
   53    33   -38    40   0.56750  1.0 1.0
   53    33   -38    40  -0.07550 -1.0 2.0
   53    33   -38    40   0.20000  1.0 3.0
   53    33    38    42   0.86500  1.0 1.0
   53    33    38    42  -0.17500 -1.0 2.0
   53    33    38    42   0.20800  1.0 3.0
   53    59    62    63  -0.11600  1.0 1.0
   53    59    62    63  -0.09450 -1.0 2.0
   53    59    62    63   0.21250  1.0 3.0
   54    53    59    60   0.15000  1.0 3.0
   54    53    59    61   0.15000  1.0 3.0
   54    53    59    62   0.23400  1.0 3.0
   60    59    62    63   0.19450  1.0 3.0
   61    59    62    63   0.19450  1.0 3.0
   49    44    48    53  -0.81800  1.0 1.0
   46    40    44    45   0.15000  1.0 3.0
   46    40    44    48   1.12100  1.0 1.0
   46    40    44    48  -0.16500 -1.0 2.0
   46    40    44    49   2.76900  1.0 1.0
   46    40    44    49  -0.24350 -1.0 2.0
   46    40    44    49  -0.78250  1.0 3.0
   46    51    55    56   0.00000  1.0 1.0
   46    51    55    57   0.00000  1.0 1.0
   46    51    55    58   0.00000  1.0 1.0
   47    46    51    52   2.45000 -1.0 2.0
   47    46    51    55   2.45000 -1.0 2.0
   52    51    55    56   0.00000  1.0 1.0
   52    51    55    57   0.00000  1.0 1.0
   52    51    55    58   0.00000  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   2.76900  1.0 1.0
   42    38    40    46  -0.24350 -1.0 2.0
   42    38    40    46  -0.78250  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
   36    30    35    37  10.50000 -1.0 2.0
   47    51    46    40   1.00000 -1.0 2.0
   46    55    51    52  10.50000 -1.0 2.0
END
