* LIGAND DATABASE FILE (OPLS2005)
*
001      61    62    105    164     303
    1     0 S   NP   _N1_     1    28.58462    95.30478   -22.57154
    2     1 S   H    _HN1     2     1.02958    82.11270    23.89547
    3     1 S   H    _H1_     3     1.02835    31.82365   165.58896
    4     1 S   H    _H2_     4     1.02777    98.25687   -83.60608
    5     1 S   CT   _CA1     5     1.50118   139.93476   136.32765
    6     5 S   HC   _HA1     6     1.09576   105.22286    75.16973
    7     5 S   CO3  _C1_     7     1.53768   112.37248   -45.02415
    8     7 S   O2Z  _O11     8     1.26359   114.99482   -44.31671
    9     7 S   O2Z  _O12     9     1.26233   114.90254   134.80201
   10     5 S   CT   _CB1    10     1.53084   107.42463  -166.94739
   11    10 S   HC   HB11    11     1.09827   109.28339   -50.95210
   12    10 S   HC   HB12    12     1.09818   110.44112    65.57891
   13    10 S   CT   _CG1    13     1.53019   112.69958  -172.05325
   14    13 S   HC   HG11    14     1.09598   110.47702   -64.68474
   15    13 S   HC   HG12    15     1.09656   109.95541    54.55433
   16    13 S   C    _CD1    16     1.51824   112.27526   174.87126
   17    16 S   O    _OE1    17     1.22723   123.24931    -0.45024
   18    16 S   N    _N2_    18     1.38634   111.67286   179.80617
   19    18 S   H    _HN2    19     1.01578   119.01198     1.30776
   20    18 S   CT1  _CA2    20     1.46203   123.37745   179.49487
   21    20 S   HC   _HA2    21     1.09732   109.42709    -2.88500
   22    20 S   C    _C2_    22     1.53489   108.51907  -118.53974
   23    22 S   O    _O2_    23     1.23038   122.13907  -145.69734
   24    20 S   CT   _CB2    32     1.53358   111.53196   119.12069
   25    24 S   HC   HB21    33     1.09538   109.75096    56.67216
   26    24 S   HC   HB22    34     1.09523   110.19041   175.60635
   27    22 S   N    _N3_    24     1.38470   113.54062    41.62873
   28    27 S   H    _HN3    25     1.01501   118.97728    -0.62558
   29    24 S   S    _SG2    35     1.82779   111.65639   -64.57746
   30    27 S   CT   _CA3    26     1.45464   123.55466   175.17635
   31    30 S   HC   HA31    27     1.09514   109.39740    21.52436
   32    30 S   HC   HA32    28     1.09502   107.08968   138.55283
   33    29 S   CT   _C10    36     1.84255    99.67665  -179.13521
   34    33 S   HC   _H3_    37     1.09546   105.94430    49.19406
   35    30 S   CO3  _C3_    29     1.52913   112.96627  -102.05920
   36    35 S   O2Z  _O31    30     1.26412   115.34048   -45.92894
   37    35 S   O2Z  _O32    31     1.26344   115.02226   134.94985
   38    33 S   C5A  _C11    38     1.50100   112.05928   -65.23049
   39    33 S   CM   _C8_    48     1.54026   108.95485   166.68851
   40    38 S   C5BC _C12    39     1.38420   132.32112   135.49542
   41    40 S   HA   _H9_    40     1.08108   125.85532    -0.56510
   42    39 S   C5A  _C6_    49     1.44833   121.18015    89.15154
   43    39 S   CMA  _C9_    57     1.36916   122.13744   -93.30427
   44    43 S   OM   _O34    58     1.26183   131.07216  -178.05680
   45    40 S   C5BC _C13    41     1.41771   106.88125   179.05872
   46    45 S   HA   _H10    42     1.08070   127.63423  -179.78150
   47    42 S   C5BC _C5_    50     1.39210   129.14766   -61.83135
   48    47 S   HA   _H5_    51     1.08119   125.53821    -1.55997
   49    43 S   NE   _N4_    59     1.37063   122.54703     3.78439
   50    49 S   H    _H7_    60     1.00844   122.43769     7.71131
   51    49 S   H    _H8_    61     1.01220   116.81445   177.27832
   52    45 S   C5A  _C14    43     1.37090   105.00061    -0.09487
   53    47 S   C5BC _C4_    52     1.41390   107.96660   178.37249
   54    53 S   HA   _H4_    53     1.08014   127.65320   179.94405
   55    38 S   OA   _O35    44     1.36922   117.83368   -45.43970
   56    52 S   NO2  _N5_    45     1.41852   132.17235  -179.63738
   57    56 S   ON   _O37    46     1.23685   116.46414    -0.24787
   58    56 S   ON   _O36    47     1.23670   117.54958   179.78694
   59    53 S   C5A  _C7_    54     1.37045   105.81795    -0.12033
   60    59 S   HA   _H6_    55     1.08002   133.82449   179.97202
   61    42 S   OA   _O33    56     1.38094   123.47603   115.94496
  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   8   5   4   3
  14   6   2   1   1  10  13   6   4  10   6   3   6   3   6   4
   2   1   1   4   4   3   3   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    55    39    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    45    52    55    39    42    47    61    43    44    49  
   38    40    55    39    42    43  
   36    37  
   37  
    0  
   40    41    45    46    52    55    56    39    42    43  
   42    47    48    53    59    61    43    44    49    50    51    40    55  
   41    45    46    52    55    56  
   45    46    52    55  
   47    48    53    54    59    60    61    43    44    49  
   44    49    50    51    47    61  
   49    50    51  
   46    52    55    56    57    58  
   52    55    56  
   48    53    54    59    60    61  
   53    54    59    61  
   50    51  
   51  
    0  
   55    56    57    58  
   54    59    60    61  
   59    60    61  
   56    57    58  
   57    58  
   58  
    0  
   60    61  
   61  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700   0.008000   2.0020   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700   0.123000   2.0020   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   49   3.2500   0.1700  -1.229900   1.8650   1.6500   0.051222218  -2.220205820
   50   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   51   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0700   0.213000   2.0020   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   55   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   56   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   57   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   58   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   59   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   61   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   295.000  1.489
   33    39   317.000  1.510
   38    40   546.000  1.367
   38    55   340.000  1.360
   40    41   367.000  1.080
   40    45   469.000  1.424
   45    46   367.000  1.080
   45    52   546.000  1.367
   52    55   340.000  1.360
   52    56   370.000  1.420
   56    57   550.000  1.225
   56    58   550.000  1.225
   39    42   375.000  1.423
   39    43   465.000  1.376
   42    47   546.000  1.367
   42    61   340.000  1.360
   47    48   367.000  1.080
   47    53   469.000  1.424
   53    54   367.000  1.080
   53    59   546.000  1.367
   59    60   367.000  1.080
   59    61   340.000  1.360
   43    44   745.000  1.250
   43    49   415.000  1.382
   49    50   434.000  1.010
   49    51   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    40    50.00000  133.50000
   33    38    55    80.00000  116.10000
   33    39    42    65.00000  118.87000
   33    39    43    70.00000  124.00000
   38    33    34    45.00000  110.47400
   38    40    41    35.00000  125.70000
   38    40    45    70.00000  107.30000
   38    55    52    70.00000  106.50000
   40    45    46    35.00000  127.50000
   40    45    52    70.00000  107.30000
   45    40    41    35.00000  127.50000
   45    52    55    70.00000  110.60000
   45    52    56    85.00000  120.00000
   52    45    46    35.00000  125.70000
   52    56    57    95.00000  118.09500
   52    56    58    95.00000  118.09500
   55    38    40    70.00000  110.60000
   56    52    55    85.00000  118.00000
   58    56    57    80.00000  125.30000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.40000
   39    42    47    50.00000  133.16000
   39    42    61    80.00000  117.00000
   39    43    44    65.00000  137.10300
   39    43    49    75.00000  114.40000
   42    47    48    35.00000  125.70000
   42    47    53    70.00000  107.30000
   42    61    59    70.00000  106.50000
   47    53    54    35.00000  127.50000
   47    53    59    70.00000  107.30000
   53    47    48    35.00000  127.50000
   53    59    60    35.00000  132.10000
   53    59    61    70.00000  110.60000
   59    53    54    35.00000  125.70000
   61    42    47    70.00000  110.60000
   61    59    60    35.00000  113.40000
   43    39    42    55.00000  128.24000
   43    49    50    50.00000  121.48000
   43    49    51    50.00000  121.48000
   49    43    44   105.00000  113.92000
   51    49    50    35.00000  109.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    40  -0.16000  1.0 1.0
   29    33    38    40  -0.03200 -1.0 2.0
   29    33    38    40   0.04500  1.0 3.0
   29    33    38    55   0.04300 -1.0 2.0
   29    33    39    42   0.09700  1.0 1.0
   29    33    39    42   0.15600 -1.0 2.0
   29    33    39    42  -0.50800  1.0 3.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    40    41   3.62500 -1.0 2.0
   33    38    40    45   3.62500 -1.0 2.0
   33    38    55    52   3.62500 -1.0 2.0
   33    39    42    47  -0.02500  1.0 1.0
   33    39    42    47  -0.32150 -1.0 2.0
   33    39    42    47  -0.01500  1.0 3.0
   33    39    42    61  -0.01750  1.0 1.0
   33    39    42    61  -0.32000 -1.0 2.0
   33    39    42    61   0.00600  1.0 3.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    49   7.00000 -1.0 2.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    55   0.00000  1.0 1.0
   34    33    39    42   0.77000  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    42   0.09700  1.0 1.0
   38    33    39    42   0.15600 -1.0 2.0
   38    33    39    42  -0.50800  1.0 3.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    40    45    46   3.62500 -1.0 2.0
   38    40   -45    52   3.62500 -1.0 2.0
   40    38   -55    52   3.62500 -1.0 2.0
   40    45   -52    55   3.62500 -1.0 2.0
   40    45    52    56   3.62500 -1.0 2.0
   41    40    45    46   3.62500 -1.0 2.0
   41    40    45    52   3.62500 -1.0 2.0
   45    52   -55    38   3.62500 -1.0 2.0
   45    52    56    57   0.69950 -1.0 2.0
   45    52    56    58   0.69950 -1.0 2.0
   46    45    52    55   3.62500 -1.0 2.0
   46    45    52    56   3.62500 -1.0 2.0
   55    38    40    41   3.62500 -1.0 2.0
   55    38   -40    45   3.62500 -1.0 2.0
   55    52    56    57   0.60000 -1.0 2.0
   55    52    56    58   0.60000 -1.0 2.0
   56    52    55    38   3.62500 -1.0 2.0
   39    33    38    40   0.18050 -1.0 2.0
   39    33    38    55   0.04300 -1.0 2.0
   39    42    47    48   3.62500 -1.0 2.0
   39    42    47    53   3.62500 -1.0 2.0
   39    42    61    59   3.62500 -1.0 2.0
   39    43    49    50   1.00000 -1.0 2.0
   39    43    49    51   1.00000 -1.0 2.0
   42    39    43    44   7.00000 -1.0 2.0
   42    39    43    49   7.00000 -1.0 2.0
   42    47    53    54   3.62500 -1.0 2.0
   42    47   -53    59   3.62500 -1.0 2.0
   47    42   -61    59   3.62500 -1.0 2.0
   47    53    59    60   3.62500 -1.0 2.0
   47    53   -59    61   3.62500 -1.0 2.0
   48    47    53    54   3.62500 -1.0 2.0
   48    47    53    59   3.62500 -1.0 2.0
   53    59   -61    42   3.62500 -1.0 2.0
   54    53    59    60   3.62500 -1.0 2.0
   54    53    59    61   3.62500 -1.0 2.0
   60    59    61    42   3.62500 -1.0 2.0
   61    42    47    48   3.62500 -1.0 2.0
   61    42   -47    53   3.62500 -1.0 2.0
   43    39    42    47   0.15800  1.0 1.0
   43    39    42    47   1.85350 -1.0 2.0
   43    39    42    47  -0.48700  1.0 3.0
   43    39    42    61   0.11450  1.0 1.0
   43    39    42    61   1.85100 -1.0 2.0
   43    39    42    61  -0.49050  1.0 3.0
   44    43    49    50   1.00000 -1.0 2.0
   44    43    49    51   1.00000 -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
   40    55    38    33   4.00000 -1.0 2.0
   45    41    40    38   1.10000 -1.0 2.0
   52    46    45    40   1.10000 -1.0 2.0
   56    55    52    45   4.00000 -1.0 2.0
   57    52    56    58  10.50000 -1.0 2.0
   33    42    39    43  15.00000 -1.0 2.0
   47    61    42    39   4.00000 -1.0 2.0
   53    48    47    42   1.10000 -1.0 2.0
   59    54    53    47   1.10000 -1.0 2.0
   61    60    59    53   1.10000 -1.0 2.0
   49    44    43    39  15.00000 -1.0 2.0
   51    43    49    50   1.00000 -1.0 2.0
END
