* LIGAND DATABASE FILE (OPLS2005)
*
001      64    65    113    174     332
    1     0 S   NP   _N1_     1    29.37688    91.96164   -23.20173
    2     1 S   H    _HN1     2     1.02880   107.18633   -23.81663
    3     1 S   H    _H1_     3     1.02949    27.40147    70.84799
    4     1 S   H    _H2_     4     1.02796    82.21872  -130.48266
    5     1 S   CT   _CA1     5     1.50452   131.18853   116.92889
    6     5 S   HC   _HA1     6     1.09684   104.75807    42.22804
    7     5 S   CO3  _C1_     7     1.54537   110.77527   -74.07103
    8     7 S   O2Z  _O11     8     1.26120   116.66965  -111.57665
    9     7 S   O2Z  _O12     9     1.26531   113.75738    67.00265
   10     5 S   CT   _CB1    10     1.53070   107.04044   158.29451
   11    10 S   HC   HB11    11     1.09833   110.14726   -44.39490
   12    10 S   HC   HB12    12     1.09736   109.92847    72.00640
   13    10 S   CT   _CG1    13     1.53110   112.31202  -164.95160
   14    13 S   HC   HG11    14     1.09555   110.83014   -50.30721
   15    13 S   HC   HG12    15     1.09630   109.92212    68.62059
   16    13 S   C    _CD1    16     1.51734   112.13486  -170.80136
   17    16 S   O    _OE1    17     1.22739   123.28787    -6.56322
   18    16 S   N    _N2_    18     1.38653   111.85569   173.34200
   19    18 S   H    _HN2    19     1.01553   119.15514     5.90445
   20    18 S   CT1  _CA2    20     1.46065   123.18325  -173.37209
   21    20 S   HC   _HA2    21     1.09628   109.01392     9.35801
   22    20 S   C    _C2_    22     1.53496   109.67355  -106.32875
   23    22 S   O    _O2_    23     1.23082   121.96759  -144.18292
   24    20 S   CT   _CB2    32     1.53638   111.66824   130.67536
   25    24 S   HC   HB21    33     1.09666   109.53375    71.85029
   26    24 S   HC   HB22    34     1.09587   110.49720  -171.20491
   27    22 S   N    _N3_    24     1.38417   113.85385    43.18259
   28    27 S   H    _HN3    25     1.01460   119.17428     0.69549
   29    24 S   S    _SG2    35     1.82966   115.53232   -47.50733
   30    27 S   CT   _CA3    26     1.45453   123.20390   175.61162
   31    30 S   HC   HA31    27     1.09538   109.02772    28.83202
   32    30 S   HC   HA32    28     1.09493   107.17107   145.76797
   33    29 S   CT   _C12    36     1.82776   100.51719   -62.37835
   34    33 S   HC   _H11    37     1.09505   107.13771   -65.57464
   35    33 S   HC   _H12    38     1.09269   109.71191    51.89590
   36    30 S   CO3  _C3_    29     1.52929   113.24794   -94.52570
   37    36 S   O2Z  _O31    30     1.26391   115.44366   -44.73793
   38    36 S   O2Z  _O32    31     1.26367   114.96720   136.22980
   39    33 S   CT   _C11    39     1.53994   112.85923   173.74527
   40    39 S   HC   _H4_    40     1.09746   106.98248  -179.83687
   41    39 S   CT   _C10    41     1.53648   114.66221   -58.60145
   42    41 S   HC   _H3_    42     1.09560   111.01851    71.78844
   43    39 S   OH   _O34    63     1.42922   110.07770    64.63048
   44    43 S   HO   _H13    64     0.97250   107.63513    54.73028
   45    41 S   CD   _C5_    43     1.52731   110.54705  -168.03251
   46    41 S   OH   _O35    61     1.41816   110.27784   -48.78060
   47    46 S   HO   _H14    62     0.97645   107.47413   172.69781
   48    45 S   CT   _C4_    44     1.51639   116.63263  -107.08426
   49    48 S   HC   _H5_    45     1.09453   108.62542   -60.31839
   50    48 S   HC   _H6_    46     1.09412   108.91461    57.83617
   51    48 S   NE   _N7_    47     1.43859   110.67670   178.86668
   52    51 S   H    _H8_    48     1.01393   119.44507   179.93744
   53    51 S   CM   _C9_    49     1.38242   124.52403     1.07920
   54    53 S   CM   _C6_    50     1.35407   116.84889    -0.84811
   55    54 S   C    _C7_    51     1.49009   118.23360   179.93744
   56    55 S   O    _O33    52     1.22777   122.26758   179.95154
   57    45 S   NI   _N4_    60     1.30082   118.84552    72.26140
   58    55 S   N    _N5_    53     1.37457   114.39318    -0.03956
   59    58 S   H    _H7_    54     1.01349   117.78427  -179.96044
   60    58 S   CDX  _C8_    55     1.37738   123.27224     0.07402
   61    53 S   NI   _N6_    56     1.38125   120.01888   179.14453
   62    60 S   NE   _N8_    57     1.36597   115.96264   179.96044
   63    62 S   H    _H9_    58     1.01374   120.40767   179.98022
   64    62 S   H    _H10    59     1.01281   122.05926     0.02798
  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   7   5   4   3
  10   5   4   2   1   1  10   6  12   6   3   1  11   3   1   8
   5   4   7   3   8   7   7   4   2   6   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    46    43    44  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    45    48    57    46    47    43    44  
   41    42    45    46    43    44  
   42    45    48    49    50    51    54    57    46    47    43    44  
   45    48    57    46    47    43  
   44    45    46  
    0  
   48    49    50    51    52    53    54    55    57    46    47  
   47    48    57  
    0  
   49    50    51    52    53    54    61    57  
   50    51    52    53    57  
   51    52    53    57  
   52    53    54    55    60    61    57  
   53    54    61  
   54    55    56    58    60    61    62    57  
   55    56    58    59    60    61    57  
   56    58    59    60    61    62    57  
   58    59    60    57  
   58    61  
   59    60    61    62    63    64  
   60    61    62  
   61    62    63    64  
   62    63    64  
   63    64  
   64  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.241100   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.7500   0.1050   0.317500   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.151400   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   52   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0760   0.140500   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760   0.065800   2.0020   1.7750   0.023028004  -0.852763146
   55   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   57   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   58   3.2500   0.1700  -0.422500   2.1120   1.8750   0.051222218  -2.220205820
   59   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.7500   0.1050   0.546500   2.1120   1.8750   0.001000000  -0.126889456
   61   3.2800   0.1700  -0.481500   1.9250   1.7000   0.054801302  -2.445846770
   62   3.2500   0.1700  -0.785000   2.1120   1.8750   0.051222218  -2.220205820
   63   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   64   0.5000   0.0300   0.360000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    43   320.000  1.410
   41    42   340.000  1.090
   41    45   270.000  1.508
   41    46   320.000  1.410
   45    48   270.000  1.508
   45    57   500.000  1.261
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   382.000  1.448
   51    52   434.000  1.010
   51    53   425.000  1.378
   53    54   549.000  1.340
   53    61   405.000  1.380
   54    55   410.000  1.444
   54    57   405.000  1.380
   55    56   570.000  1.229
   55    58   490.000  1.335
   58    59   434.000  1.010
   58    60   400.000  1.380
   60    61   650.000  1.285
   60    62   445.000  1.380
   62    63   434.000  1.010
   62    64   434.000  1.010
   46    47   553.000  0.945
   43    44   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    43    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    45    70.00000  111.76100
   39    41    46    50.00000  109.50000
   39    43    44    55.00000  108.50000
   41    39    40    37.50000  110.70000
   41    45    48    65.00000  114.98000
   41    45    57    65.00000  122.10100
   41    46    47    55.00000  108.50000
   45    41    42    45.00000  109.49600
   45    48    49    45.00000  109.49600
   45    48    50    45.00000  109.49600
   45    48    51    80.00000  112.42400
   45    57    54    75.00000  115.77100
   48    51    52    35.00000  112.50000
   48    51    53    50.00000  121.00000
   50    48    49    33.00000  107.80000
   51    48    49    35.00000  109.50000
   51    48    50    35.00000  109.50000
   51    53    54    70.00000  124.03900
   51    53    61    85.00000  113.56000
   53    51    52    35.00000  114.50000
   53    54    55    70.00000  118.70000
   53    54    57    70.00000  120.83400
   53    61    60    70.00000  116.49400
   54    55    56    80.00000  125.30000
   54    55    58    80.00000  111.56200
   55    58    59    35.00000  119.80000
   55    58    60    70.00000  120.51600
   58    55    56    80.00000  122.90000
   58    60    61    80.00000  119.04400
   58    60    62    85.00000  111.44000
   60    58    59    45.00000  120.05200
   60    62    63    35.00000  119.50000
   60    62    64    35.00000  119.50000
   61    53    54    70.00000  120.83400
   62    60    61    75.00000  124.36500
   64    62    63    35.00000  109.00000
   57    45    48    65.00000  122.10100
   57    54    55    70.00000  120.00000
   46    41    42    35.00000  109.50000
   46    41    45   100.00000  111.90000
   43    39    40    35.00000  109.50000
   43    39    41    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    45   0.34400  1.0 1.0
   33    39    41    45   0.09450 -1.0 2.0
   33    39    41    45   0.11100  1.0 3.0
   33    39    41    46   0.86500  1.0 1.0
   33    39    41    46  -0.17500 -1.0 2.0
   33    39    41    46   0.20800  1.0 3.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    43   0.23400  1.0 3.0
   39    41    45    48   0.46850  1.0 1.0
   39    41    45    48   0.08550 -1.0 2.0
   39    41    45    48   0.09800  1.0 3.0
   39    41    45    57   0.00000  1.0 1.0
   39    41    46    47  -0.11600  1.0 1.0
   39    41    46    47  -0.09450 -1.0 2.0
   39    41    46    47   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    45   0.15000  1.0 3.0
   40    39    41    46   0.23400  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   41    39    43    44  -0.11600  1.0 1.0
   41    39    43    44  -0.09450 -1.0 2.0
   41    39    43    44   0.21250  1.0 3.0
   41    45    48    49   0.00000  1.0 1.0
   41    45    48    50   0.00000  1.0 1.0
   41    45    48    51   0.00000  1.0 1.0
   41    45    57    54   6.00000 -1.0 2.0
   42    41    45    48   0.00000  1.0 1.0
   42    41    45    57   0.00000  1.0 1.0
   42    41    46    47   0.19450  1.0 3.0
   45    41    46    47  -0.07800  1.0 1.0
   45    41    46    47  -0.21500 -1.0 2.0
   45    41    46    47  -0.03150  1.0 3.0
   45    48    51    52  -0.12500  1.0 1.0
   45    48    51    52  -0.12500 -1.0 2.0
   45    48    51    52   0.25000  1.0 3.0
   45    48    51    53  -0.12500  1.0 1.0
   45    48    51    53  -0.12500 -1.0 2.0
   45    48    51    53   0.25000  1.0 3.0
   48    45    57    54   6.00000 -1.0 2.0
   48    51   -53    54  -0.54700  1.0 1.0
   48    51   -53    54   1.23000 -1.0 2.0
   48    51    53    61   1.00000 -1.0 2.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    53   0.00000  1.0 1.0
   50    48    51    52   0.00000  1.0 1.0
   50    48    51    53   0.00000  1.0 1.0
   51    53    54    55   7.00000 -1.0 2.0
   51    53    54    57   7.00000 -1.0 2.0
   51    53    61    60   1.00000 -1.0 2.0
   52    51    53    54   1.00000 -1.0 2.0
   52    51    53    61   1.00000 -1.0 2.0
   53    54    55    56   1.00000 -1.0 2.0
   53    54    55    58   0.49500  1.0 1.0
   53    54    55    58   1.31600 -1.0 2.0
   53    54    55    58  -0.02300  1.0 3.0
   53    54   -57    45   1.00000 -1.0 2.0
   54    53    61    60   1.00000 -1.0 2.0
   54    55    58    59   2.56700 -1.0 2.0
   54    55   -58    60   2.45000 -1.0 2.0
   55    54    57    45   1.00000 -1.0 2.0
   55    58    60    61  -0.56400  1.0 1.0
   55    58    60    61   0.77500 -1.0 2.0
   55    58    60    61   0.18700  1.0 3.0
   55    58    60    62  -0.56400  1.0 1.0
   55    58    60    62   0.77500 -1.0 2.0
   55    58    60    62   0.18700  1.0 3.0
   56    55    58    59   2.45000 -1.0 2.0
   56    55    58    60   2.67200 -1.0 2.0
   58    60   -61    53   6.00000 -1.0 2.0
   58    60    62    63   1.00000 -1.0 2.0
   58    60    62    64   1.00000 -1.0 2.0
   59    58    60    61   1.00000 -1.0 2.0
   59    58    60    62   1.00000 -1.0 2.0
   61    53   -54    55   7.00000 -1.0 2.0
   61    53    54    57   7.00000 -1.0 2.0
   61    60    62    63   1.50000 -1.0 2.0
   61    60    62    64   1.50000 -1.0 2.0
   62    60    61    53   6.00000 -1.0 2.0
   57    45    48    49   0.00000  1.0 1.0
   57    45    48    50   0.00000  1.0 1.0
   57    45   -48    51   0.00000  1.0 1.0
   57    54    55    56  -0.52200  1.0 1.0
   57    54    55    56   0.82950 -1.0 2.0
   57    54    55    58   1.50000 -1.0 2.0
   46    41    45    48   0.18000  1.0 1.0
   46    41    45    48   0.16450 -1.0 2.0
   46    41    45    48   0.04450  1.0 3.0
   46    41    45    57   0.00000  1.0 1.0
   43    39    41    42   0.23400  1.0 3.0
   43    39    41    45   1.05650  1.0 1.0
   43    39    41    45   0.15600 -1.0 2.0
   43    39    41    45   0.53150  1.0 3.0
   43    39    41    46   3.75450  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
   37    30    36    38  10.50000 -1.0 2.0
   41    48    45    57  10.50000 -1.0 2.0
   52    53    51    48   1.00000 -1.0 2.0
   51    61    53    54   1.10000 -1.0 2.0
   55    57    54    53   1.10000 -1.0 2.0
   54    58    55    56  10.50000 -1.0 2.0
   59    55    58    60   1.00000 -1.0 2.0
   58    62    60    61  10.50000 -1.0 2.0
   64    60    62    63   1.00000 -1.0 2.0
END
