* LIGAND DATABASE FILE (OPLS2005)
*
001      63    66    116    193     343
    1     0 S   NP   _N1_     1    28.94244    95.68036   -21.36913
    2     1 S   H    _HN1     2     1.02949    77.34296    20.28984
    3     1 S   H    _H1_     3     1.02826    38.28920   160.71490
    4     1 S   H    _H2_     4     1.02783    95.61176   -87.32153
    5     1 S   CT   _CA1     5     1.50142   145.64700   127.97102
    6     5 S   HC   _HA1     6     1.09582   105.13979    80.27209
    7     5 S   CO3  _C1_     7     1.53756   112.36714   -39.78364
    8     7 S   O2Z  _O11     8     1.26368   114.96570   -43.63395
    9     7 S   O2Z  _O12     9     1.26244   114.85660   135.14699
   10     5 S   CT   _CB1    10     1.53044   107.37429  -161.91813
   11    10 S   HC   HB11    11     1.09834   109.19022   -50.30560
   12    10 S   HC   HB12    12     1.09813   110.52174    66.25139
   13    10 S   CT   _CG1    13     1.52991   112.68352  -171.34233
   14    13 S   HC   HG11    14     1.09517   110.49235   -67.94744
   15    13 S   HC   HG12    15     1.09668   109.87073    51.28225
   16    13 S   C    _CD1    16     1.51822   112.16802   171.59412
   17    16 S   O    _OE1    17     1.22750   123.23079     6.07280
   18    16 S   N    _N2_    18     1.38646   111.75378  -173.68733
   19    18 S   H    _HN2    19     1.01571   118.97010     0.49968
   20    18 S   CT1  _CA2    20     1.46245   123.32550   177.17229
   21    20 S   HC   _HA2    21     1.09738   109.32195     0.33688
   22    20 S   C    _C2_    22     1.53505   108.60690  -115.06759
   23    22 S   O    _O2_    23     1.23053   122.30885  -148.72217
   24    20 S   CT   _CB2    32     1.53266   111.64857   122.34147
   25    24 S   HC   HB21    33     1.09475   110.15922    59.05552
   26    24 S   HC   HB22    34     1.09536   110.42396   176.95188
   27    22 S   N    _N3_    24     1.38342   113.65546    38.76645
   28    27 S   H    _HN3    25     1.01597   119.51601    -3.48622
   29    24 S   S    _SG2    35     1.82886   111.26864   -64.43537
   30    27 S   CT   _CA3    26     1.45280   123.23472   177.07243
   31    30 S   HC   HA31    27     1.09549   107.52576   -64.22304
   32    30 S   HC   HA32    28     1.09556   107.96714    52.21308
   33    29 S   CT   _C10    36     1.85875   100.40077   134.04352
   34    33 S   HC   _H3_    37     1.09857   106.14855    44.70606
   35    30 S   CO3  _C3_    29     1.52958   114.07371   174.20012
   36    35 S   O2Z  _O31    30     1.26375   116.06338    -0.51964
   37    35 S   O2Z  _O32    31     1.26425   114.41622   179.54072
   38    33 S   CM   _C9_    38     1.51354   107.38591   -72.49777
   39    38 S   HC   _H7_    39     1.08743   116.54834    81.87061
   40    33 S   CT   _C11    49     1.56852   109.27718   163.16876
   41    40 S   OM   _O33    50     1.32836   107.91909  -158.00998
   42    40 S   HC   _H4_    51     1.10113   106.70410   -30.20439
   43    38 S   CM   _C8_    40     1.34449   123.68942   -96.76283
   44    43 S   CR3  _C7_    41     1.48202   118.84684    -0.50668
   45    43 S   CM   _C12    60     1.45299   121.36711   175.95475
   46    45 S   HC   _H8_    61     1.08530   119.25474     7.36106
   47    44 S   CR3  _C15    42     1.41683   117.57646   169.58905
   48    47 S   CA   _C16    43     1.41456   118.93568  -177.11656
   49    48 S   CA   _C4_    44     1.40305   119.50208    -1.29679
   50    49 S   HA   _H5_    45     1.08804   120.50148  -179.74283
   51    48 S   CA   _C17    52     1.40296   119.42627   179.05622
   52    51 S   HA   _H10    53     1.08814   120.45390  -179.62938
   53    49 S   CA   _C5_    46     1.39581   120.90068    -0.87111
   54    53 S   HA   _H6_    47     1.08729   119.24722  -178.30130
   55    51 S   CA   _C18    54     1.39442   120.83896     0.71601
   56    55 S   HA   _H11    55     1.08634   119.23238   179.75134
   57    44 S   CA   _C6_    48     1.40849   121.25302   -10.74133
   58    55 S   CA   _C19    56     1.39364   119.88128     0.36316
   59    47 S   CA   _C14    57     1.41999   121.47182     3.39892
   60    58 S   OH   _O34    62     1.36970   119.45364   178.99012
   61    60 S   HO   _H12    63     0.97181   108.91808     5.30574
   62    59 S   CM   _C13    58     1.47810   119.09521     1.54889
   63    62 S   HC   _H9_    59     1.08465   118.84475   177.55495
  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
  11   7   2   1   1  11   4   9   4   3  10  12   7   3  13  12
   8   4   7   3   2   1   6   3   1   5   4   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    57    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    53    57    40    41    42    45  
   38    39    43    57    40    41    42  
   36    37  
   37  
    0  
   39    43    44    47    57    40    41    42    62    45    46  
   43    44    40    45  
   41    42    43    44    47    49    53    54    57  
   42    44    53    57  
   44    53    57  
   44    47    48    53    57    59    62    63    45    46  
   47    48    49    53    54    57    51    58    59    62    45    46  
   46    47    57    58    59    62    63  
   59    62    63  
   48    49    50    53    57    51    52    55    58    59    62    63    60  
   49    50    53    54    57    51    52    55    56    58    59    62  
   50    53    54    57    51    52    55    59  
   53    54    57    51  
   52    55    56    58    59    60    53  
   55    56    58  
   54    57  
   57  
   56    58    59    62    60    61  
   58    59    60  
   59  
   59    62    63    60    61  
   62    63    60    61  
   61    62  
    0  
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000   0.035000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.115000   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  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   320.000  1.460
   43    45   380.000  1.444
   44    47   490.000  1.398
   44    57   490.000  1.398
   47    48   490.000  1.398
   47    59   490.000  1.398
   48    49   469.000  1.400
   48    51   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    54   367.000  1.080
   53    57   469.000  1.400
   57    40   317.000  1.510
   40    41   570.000  1.307
   40    42   340.000  1.090
   51    52   367.000  1.080
   51    55   469.000  1.400
   55    56   367.000  1.080
   55    58   469.000  1.400
   58    59   469.000  1.400
   58    60   450.000  1.364
   59    62   320.000  1.460
   62    63   340.000  1.080
   62    45   549.000  1.340
   45    46   340.000  1.080
   60    61   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  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    57    70.00000  112.17500
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    60.00000  123.20500
   38    43    45    70.00000  123.01800
   43    38    39    35.00000  120.00000
   43    44    47    60.00000  120.93500
   43    44    57    60.00000  120.93500
   43    45    62    70.00000  123.01800
   43    45    46    35.00000  120.00000
   44    47    48    60.00000  130.80000
   44    47    59    60.00000  130.80000
   44    57    53    70.00000  112.88000
   44    57    40    80.00000  105.07000
   47    48    49    70.00000  112.88000
   47    48    51    70.00000  112.88000
   47    59    58    70.00000  112.88000
   47    59    62    60.00000  120.93500
   48    49    50    35.00000  120.00000
   48    49    53    63.00000  120.00000
   48    51    52    35.00000  120.00000
   48    51    55    63.00000  120.00000
   49    53    54    35.00000  120.00000
   49    53    57    63.00000  120.00000
   53    49    50    35.00000  120.00000
   53    57    40    70.00000  120.00000
   57    44    47    60.00000  130.80000
   57    53    54    35.00000  120.00000
   57    40    41    85.00000  111.85700
   57    40    42    35.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   42    40    41    45.00000  125.66300
   51    48    49    63.00000  120.00000
   51    55    56    35.00000  120.00000
   51    55    58    63.00000  120.00000
   55    51    52    35.00000  120.00000
   55    58    59    63.00000  120.00000
   55    58    60    70.00000  120.00000
   58    55    56    35.00000  120.00000
   58    59    62    60.00000  120.93500
   58    60    61    35.00000  113.00000
   59    47    48    60.00000  130.80000
   59    62    63    40.00000  117.26300
   59    62    45    60.00000  123.20500
   62    45    46    35.00000  120.00000
   45    43    44    60.00000  123.20500
   45    62    63    35.00000  120.00000
   60    58    59    70.00000  120.00000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    57   0.56750  1.0 1.0
   29    33    40    57  -0.07550 -1.0 2.0
   29    33    40    57   0.20000  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    45   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    57   0.43200  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   38    33    40    57   0.21200  1.0 1.0
   38    33    40    57   0.16900 -1.0 2.0
   38    33    40    57  -1.15100  1.0 3.0
   38    33    40    41   0.61850  1.0 1.0
   38    33    40    41  -0.22750 -1.0 2.0
   38    33    40    41   0.15300  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    43    44    47   0.15800  1.0 1.0
   38    43    44    47   1.85350 -1.0 2.0
   38    43    44    47  -0.48700  1.0 3.0
   38    43   -44    57   0.15800  1.0 1.0
   38    43   -44    57   1.85350 -1.0 2.0
   38    43   -44    57  -0.48700  1.0 3.0
   38    43    45    62   0.28850  1.0 1.0
   38    43    45    62   2.61350 -1.0 2.0
   38    43    45    62   0.78400  1.0 3.0
   38    43    45    46  -0.18600  1.0 3.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    45   7.00000 -1.0 2.0
   43    44    47    48   3.62500 -1.0 2.0
   43    44    47    59   3.62500 -1.0 2.0
   43    44    57    53   3.62500 -1.0 2.0
   43    44    57    40   3.62500 -1.0 2.0
   44    43    45    62  -0.18600  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    47    48    49   3.62500 -1.0 2.0
   44    47    48    51   3.62500 -1.0 2.0
   44    47    59    58   3.62500 -1.0 2.0
   44    47   -59    62   3.62500 -1.0 2.0
   44    57   -40    33   0.04150 -1.0 2.0
   44    57    40    41   0.64500  1.0 1.0
   44    57    40    41   0.14800 -1.0 2.0
   44    57    40    41   0.20650  1.0 3.0
   44    57    40    42   0.00000  1.0 1.0
   47    44    57    53   3.62500 -1.0 2.0
   47    44    57    40   3.62500 -1.0 2.0
   47    48    49    50   3.62500 -1.0 2.0
   47    48   -49    53   3.62500 -1.0 2.0
   47    48    51    52   3.62500 -1.0 2.0
   47    48    51    55   3.62500 -1.0 2.0
   47    59    62    63   0.56550  1.0 3.0
   47    59    62    45   0.15800  1.0 1.0
   47    59    62    45   1.85350 -1.0 2.0
   47    59    62    45  -0.48700  1.0 3.0
   48    47    59    58   3.62500 -1.0 2.0
   48    47    59    62   3.62500 -1.0 2.0
   48    49    53    54   3.62500 -1.0 2.0
   48    49    53    57   3.62500 -1.0 2.0
   48    51    55    56   3.62500 -1.0 2.0
   48    51   -55    58   3.62500 -1.0 2.0
   49    48    51    52   3.62500 -1.0 2.0
   49    48    51    55   3.62500 -1.0 2.0
   49    53   -57    44   3.62500 -1.0 2.0
   49    53    57    40   3.62500 -1.0 2.0
   50    49    53    54   3.62500 -1.0 2.0
   50    49    53    57   3.62500 -1.0 2.0
   53    57    40    33   0.04150 -1.0 2.0
   53    57    40    41   0.64500  1.0 1.0
   53    57    40    41   0.14800 -1.0 2.0
   53    57    40    41   0.20650  1.0 3.0
   53    57    40    42   0.00000  1.0 1.0
   54    53    57    44   3.62500 -1.0 2.0
   54    53    57    40   3.62500 -1.0 2.0
   57    44   -47    48   3.62500 -1.0 2.0
   57    44    47    59   3.62500 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33   -38    43   0.09850  1.0 1.0
   40    33   -38    43   0.15250 -1.0 2.0
   40    33   -38    43  -0.50650  1.0 3.0
   51    48    49    50   3.62500 -1.0 2.0
   51    48    49    53   3.62500 -1.0 2.0
   51    55    58    59   3.62500 -1.0 2.0
   51    55    58    60   3.62500 -1.0 2.0
   52    51    55    56   3.62500 -1.0 2.0
   52    51    55    58   3.62500 -1.0 2.0
   55    58   -59    47   3.62500 -1.0 2.0
   55    58    59    62   3.62500 -1.0 2.0
   55    58    60    61   0.84100 -1.0 2.0
   56    55    58    59   3.62500 -1.0 2.0
   56    55    58    60   3.62500 -1.0 2.0
   58    59    62    63   0.56550  1.0 3.0
   58    59    62    45   0.15800  1.0 1.0
   58    59    62    45   1.85350 -1.0 2.0
   58    59    62    45  -0.48700  1.0 3.0
   59    47    48    49   3.62500 -1.0 2.0
   59    47   -48    51   3.62500 -1.0 2.0
   59    58    60    61   0.84100 -1.0 2.0
   59    62   -45    43   7.00000 -1.0 2.0
   59    62    45    46   7.00000 -1.0 2.0
   63    62    45    43   7.00000 -1.0 2.0
   63    62    45    46   7.00000 -1.0 2.0
   45    43   -44    47   0.15800  1.0 1.0
   45    43   -44    47   1.85350 -1.0 2.0
   45    43   -44    47  -0.48700  1.0 3.0
   45    43    44    57   0.15800  1.0 1.0
   45    43    44    57   1.85350 -1.0 2.0
   45    43    44    57  -0.48700  1.0 3.0
   60    58    59    47   3.62500 -1.0 2.0
   60    58    59    62   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    43   1.10000 -1.0 2.0
   44    45    43    38   1.10000 -1.0 2.0
   47    57    44    43   4.00000 -1.0 2.0
   48    59    47    44   4.00000 -1.0 2.0
   49    51    48    47   4.00000 -1.0 2.0
   53    50    49    48   1.10000 -1.0 2.0
   57    54    53    49   1.10000 -1.0 2.0
   53    40    57    44   4.00000 -1.0 2.0
   55    52    51    48   1.10000 -1.0 2.0
   58    56    55    51   1.10000 -1.0 2.0
   59    60    58    55   4.00000 -1.0 2.0
   58    62    59    47   4.00000 -1.0 2.0
   59    63    62    45   1.10000 -1.0 2.0
   43    46    45    62   1.10000 -1.0 2.0
END
