* LIGAND DATABASE FILE (OPLS2005)
*
001      63    64    115    177     334
    1     0 S   NP   _N1_     1    28.53892    94.64810   -22.99085
    2     1 S   H    _HN1     2     1.02962    84.79212    28.55897
    3     1 S   H    _H1_     3     1.02839    27.58366   172.58685
    4     1 S   H    _H2_     4     1.02778   100.71133   -79.15302
    5     1 S   CT   _CA1     5     1.50112   135.69997   142.62453
    6     5 S   HC   _HA1     6     1.09575   105.23799    73.42023
    7     5 S   CO3  _C1_     7     1.53787   112.42157   -46.80641
    8     7 S   O2Z  _O11     8     1.26357   115.00240   -43.22641
    9     7 S   O2Z  _O12     9     1.26238   114.92433   136.01430
   10     5 S   CT   _CB1    10     1.53105   107.44907  -168.64586
   11    10 S   HC   HB11    11     1.09824   109.34779   -50.81911
   12    10 S   HC   HB12    12     1.09819   110.40385    65.73797
   13    10 S   CT   _CG1    13     1.53006   112.66597  -171.93274
   14    13 S   HC   HG11    14     1.09603   110.42887   -63.61227
   15    13 S   HC   HG12    15     1.09652   109.99544    55.60763
   16    13 S   C    _CD1    16     1.51811   112.36517   175.98502
   17    16 S   O    _OE1    17     1.22710   123.29134    -2.61808
   18    16 S   N    _N2_    18     1.38619   111.58329   177.53201
   19    18 S   H    _HN2    19     1.01590   118.97509     1.46940
   20    18 S   CT1  _CA2    20     1.46212   123.44381  -179.56121
   21    20 S   HC   _HA2    21     1.09728   109.45814    -9.18564
   22    20 S   C    _C2_    22     1.53437   108.26923  -124.86829
   23    22 S   O    _O2_    23     1.23017   122.23206  -144.96153
   24    20 S   CT   _CB2    32     1.53363   111.35050   112.95113
   25    24 S   HC   HB21    33     1.09536   109.73666    54.97801
   26    24 S   HC   HB22    34     1.09516   110.48974   173.86071
   27    22 S   N    _N3_    24     1.38504   113.39865    42.31620
   28    27 S   H    _HN3    25     1.01518   118.94535    -0.48416
   29    24 S   S    _SG2    35     1.82715   111.79974   -66.45727
   30    27 S   CT   _CA3    26     1.45460   123.46241   175.20507
   31    30 S   HC   HA31    27     1.09522   109.26115    23.85876
   32    30 S   HC   HA32    28     1.09496   107.11032   140.86522
   33    29 S   CT   _C12    36     1.81649    99.14964   171.68296
   34    33 S   HC   _H3_    37     1.09771   108.47598    55.17274
   35    30 S   CO3  _C3_    29     1.52925   113.11579   -99.63787
   36    35 S   O2Z  _O31    30     1.26402   115.40444   -44.21023
   37    35 S   O2Z  _O32    31     1.26355   114.97955   136.72124
   38    33 S   C    _C10    38     1.52375   110.81097   171.23341
   39    38 S   O    _O14    39     1.22282   124.27131   -34.62522
   40    38 S   N    _N13    40     1.41081   106.73033   149.17431
   41    40 S   CA   _C9_    41     1.42652   126.49276   175.65066
   42    40 S   CT   _C11    55     1.45004   111.02076    -0.35991
   43    42 S   HC   _H24    56     1.09262   111.50035  -143.86422
   44    42 S   HC   _H25    57     1.09664   107.95535    95.79208
   45    41 S   CA   _C6_    42     1.40479   120.51137  -167.59374
   46    45 S   HA   _H22    43     1.08648   121.63206     1.17453
   47    33 S   CT   _C13    58     1.54025   117.55618   -70.27359
   48    47 S   HC   _H27    59     1.09721   110.08502    87.17246
   49    45 S   CA   _C4_    44     1.39756   121.27356  -179.82306
   50    49 S   HA   _H20    45     1.08665   119.81960  -180.00000
   51    47 S   CT   _C14    60     1.53919   115.08230   -35.60883
   52    51 S   Cl   CL19    61     1.78584   111.57733   178.17008
   53    51 S   HC   _H28    62     1.09245   111.67164    60.53229
   54    51 S   HC   _H29    63     1.09448   111.96831   -61.30943
   55    49 S   CA   _C5_    46     1.39070   120.25493    -0.06256
   56    55 S   HA   _H21    47     1.08702   119.34019   179.63955
   57    55 S   CA   _C8_    48     1.39592   119.95662    -0.30001
   58    41 S   CA   _C7_    49     1.40411   121.96731    12.63954
   59    58 S   HA   _H23    50     1.08546   121.20866     1.74697
   60    57 S   CT   _C15    51     1.50268   120.59720   178.69884
   61    60 S   F    _F15    52     1.36243   113.43638    23.73068
   62    60 S   F    _F16    53     1.36227   113.06575   143.86227
   63    60 S   F    _F17    54     1.36150   112.28746   -96.28216
  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  11   4  13  13  10   4   3   8   4   5   4
   6   3   3   2   1   1   8   3   6   5   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    47    48    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    47    48    51    52    53    54  
   38    39    40    42    47    48    51  
   36    37  
   37  
    0  
   39    40    41    45    58    42    43    44    47    48    51  
   40    41    42    47  
   41    45    46    49    57    58    59    42    43    44    47    48    51  
   45    46    49    50    55    57    58    59    60    42    43    44    47  
   43    44    47    48    51    52    53    54    45    58  
   44    47    48    51  
   47    48    51  
   46    49    50    55    56    57    58    59  
   49    50    55    58  
   48    51    52    53    54  
   51    52    53    54  
   50    55    56    57    58    60  
   55    56    57  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58    59    60    61    62    63  
   57    58    60  
   58    59    60    61    62    63  
   59    60    61    62    63  
   60  
   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   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   40   3.2500   0.1700  -0.031700   1.8100   1.6000   0.054801302  -1.445846770
   41   3.5500   0.0700  -0.038300   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5000   0.0660  -0.006000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   53   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.2500   0.0620   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   62   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   63   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
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  1.522
   33    47   268.000  1.529
   38    39   570.000  1.229
   38    40   490.000  1.335
   40    41   360.000  1.404
   40    42   337.000  1.449
   41    45   469.000  1.400
   41    58   469.000  1.400
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    50   367.000  1.080
   49    55   469.000  1.400
   55    56   367.000  1.080
   55    57   469.000  1.400
   57    58   469.000  1.400
   57    60   317.000  1.510
   58    59   367.000  1.080
   60    61   367.000  1.332
   60    62   367.000  1.332
   60    63   367.000  1.332
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   268.000  1.529
   47    48   340.000  1.090
   47    51   268.000  1.529
   51    52   245.000  1.781
   51    53   340.000  1.090
   51    54   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    70.00000  112.33000
   29    33    47    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    70.00000  116.60000
   33    47    42    58.35000  112.70000
   33    47    48    37.50000  110.70000
   33    47    51    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  121.96500
   38    40    42    50.00000  121.90000
   40    38    39    80.00000  122.90000
   40    41    45    70.00000  119.01900
   40    41    58    70.00000  119.01900
   40    42    43    35.00000  109.50000
   40    42    44    35.00000  109.50000
   40    42    47    70.00000  110.72300
   41    45    46    35.00000  120.00000
   41    45    49    63.00000  120.00000
   41    58    57    63.00000  120.00000
   41    58    59    35.00000  120.00000
   45    49    50    35.00000  120.00000
   45    49    55    63.00000  120.00000
   49    45    46    35.00000  120.00000
   49    55    56    35.00000  120.00000
   49    55    57    63.00000  120.00000
   55    49    50    35.00000  120.00000
   55    57    58    63.00000  120.00000
   55    57    60    70.00000  120.00000
   57    55    56    35.00000  120.00000
   57    58    59    35.00000  120.00000
   57    60    61    50.00000  109.50000
   57    60    62    50.00000  109.50000
   57    60    63    50.00000  109.50000
   58    41    45    63.00000  120.00000
   60    57    58    70.00000  120.00000
   62    60    61    77.00000  109.10000
   63    60    61    77.00000  109.10000
   63    60    62    77.00000  109.10000
   42    40    41    70.00000  121.06000
   42    47    48    37.50000  110.70000
   42    47    51    58.35000  112.70000
   44    42    43    33.00000  107.80000
   47    33    34    37.50000  110.70000
   47    33    38    63.00000  111.10000
   47    42    43    37.50000  110.70000
   47    42    44    37.50000  110.70000
   47    51    52    69.00000  109.80000
   47    51    53    37.50000  110.70000
   47    51    54    37.50000  110.70000
   51    47    48    37.50000  110.70000
   53    51    52    51.00000  107.60000
   54    51    52    51.00000  107.60000
   54    51    53    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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   0.30150 -1.0 2.0
   29    33    38    40   0.00000  1.0 1.0
   29    33    47    42   0.44750  1.0 1.0
   29    33    47    42  -0.17800 -1.0 2.0
   29    33    47    42   0.20200  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    51   0.44750  1.0 1.0
   29    33    47    51  -0.17800 -1.0 2.0
   29    33    47    51   0.20200  1.0 3.0
   33    38    40    41   0.76000  1.0 1.0
   33    38    40    41   4.11600 -1.0 2.0
   33    38   -40    42   1.49850  1.0 1.0
   33    38   -40    42   1.53950 -1.0 2.0
   33    47    51    52   0.35600  1.0 1.0
   33    47    51    52  -0.14650 -1.0 2.0
   33    47    51    52   0.33350  1.0 3.0
   33    47    51    53   0.15000  1.0 3.0
   33    47    51    54   0.15000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    42   0.15000  1.0 3.0
   34    33    47    48   0.15000  1.0 3.0
   34    33    47    51   0.15000  1.0 3.0
   38    33   -47    42  -0.95700  1.0 1.0
   38    33   -47    42  -0.18200 -1.0 2.0
   38    33   -47    42   0.29450  1.0 3.0
   38    33    47    48  -0.11250  1.0 3.0
   38    33    47    51  -0.95700  1.0 1.0
   38    33    47    51  -0.18200 -1.0 2.0
   38    33    47    51   0.29450  1.0 3.0
   38    40    41    45   1.00100  1.0 1.0
   38    40    41    45   0.85050 -1.0 2.0
   38    40    41    58   1.00100  1.0 1.0
   38    40    41    58   0.85050 -1.0 2.0
   38    40    42    43   0.00000  1.0 1.0
   38    40    42    44   0.00000  1.0 1.0
   38    40   -42    47  -0.43950  1.0 1.0
   38    40   -42    47  -0.08100 -1.0 2.0
   38    40   -42    47   0.03350  1.0 3.0
   39    38    40    41   0.04000 -1.0 2.0
   39    38    40    42   3.04450 -1.0 2.0
   40    41    45    46   3.62500 -1.0 2.0
   40    41    45    49   3.62500 -1.0 2.0
   40    41    58    57   3.62500 -1.0 2.0
   40    41    58    59   3.62500 -1.0 2.0
   40    42   -47    33   0.43900  1.0 1.0
   40    42   -47    33   0.49100 -1.0 2.0
   40    42   -47    33   0.28400  1.0 3.0
   40    42    47    48   0.15000  1.0 3.0
   40    42    47    51   0.43900  1.0 1.0
   40    42    47    51   0.49100 -1.0 2.0
   40    42    47    51   0.28400  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    47   0.36200 -1.0 2.0
   41    45    49    50   3.62500 -1.0 2.0
   41    45    49    55   3.62500 -1.0 2.0
   45    41    58    57   3.62500 -1.0 2.0
   45    41    58    59   3.62500 -1.0 2.0
   45    49    55    56   3.62500 -1.0 2.0
   45    49   -55    57   3.62500 -1.0 2.0
   46    45    49    50   3.62500 -1.0 2.0
   46    45    49    55   3.62500 -1.0 2.0
   49    55    57    58   3.62500 -1.0 2.0
   49    55    57    60   3.62500 -1.0 2.0
   50    49    55    56   3.62500 -1.0 2.0
   50    49    55    57   3.62500 -1.0 2.0
   55    57   -58    41   3.62500 -1.0 2.0
   55    57    58    59   3.62500 -1.0 2.0
   55    57    60    61   0.00000  1.0 1.0
   55    57    60    62   0.00000  1.0 1.0
   55    57    60    63   0.00000  1.0 1.0
   56    55    57    58   3.62500 -1.0 2.0
   56    55    57    60   3.62500 -1.0 2.0
   58    41    45    46   3.62500 -1.0 2.0
   58    41   -45    49   3.62500 -1.0 2.0
   58    57    60    61   0.00000  1.0 1.0
   58    57    60    62   0.00000  1.0 1.0
   58    57    60    63   0.00000  1.0 1.0
   60    57    58    41   3.62500 -1.0 2.0
   60    57    58    59   3.62500 -1.0 2.0
   42    40    41    45   0.81400  1.0 1.0
   42    40    41    45   1.55550 -1.0 2.0
   42    40    41    58   0.81400  1.0 1.0
   42    40    41    58   1.55550 -1.0 2.0
   42    47    51    52   0.35600  1.0 1.0
   42    47    51    52  -0.14650 -1.0 2.0
   42    47    51    52   0.33350  1.0 3.0
   42    47    51    53   0.15000  1.0 3.0
   42    47    51    54   0.15000  1.0 3.0
   43    42    47    33   0.15000  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    51   0.15000  1.0 3.0
   44    42    47    33   0.15000  1.0 3.0
   44    42    47    48   0.15000  1.0 3.0
   44    42    47    51   0.15000  1.0 3.0
   47    33    38    39   0.30150 -1.0 2.0
   47    33   -38    40   1.39750  1.0 1.0
   47    33   -38    40  -0.07950 -1.0 2.0
   47    33   -38    40  -0.18750  1.0 3.0
   48    47    51    52   0.27000  1.0 3.0
   48    47    51    53   0.15000  1.0 3.0
   48    47    51    54   0.15000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   42    38    40    41   1.00000 -1.0 2.0
   45    58    41    40   4.00000 -1.0 2.0
   49    46    45    41   1.10000 -1.0 2.0
   55    50    49    45   1.10000 -1.0 2.0
   57    56    55    49   1.10000 -1.0 2.0
   58    60    57    55   4.00000 -1.0 2.0
   57    59    58    41   1.10000 -1.0 2.0
END
