* LIGAND DATABASE FILE (OPLS2005)
*
001      61    62    105    164     303
    1     0 S   NP   _N1_     1    28.06142    95.07322   -24.11229
    2     1 S   H    _HN1     2     1.02835    23.88677   160.93468
    3     1 S   H    _H1_     3     1.02776   108.49152  -106.49145
    4     1 S   H    _H2_     4     1.02957    84.64781     1.07865
    5     1 S   CT   _CA1     5     1.50131   128.29665   112.91325
    6     5 S   HC   _HA1     6     1.09576   105.20407    77.94793
    7     5 S   CO3  _C1_     7     1.53772   112.36703   -42.21688
    8     7 S   O2Z  _O11     8     1.26364   114.99329   -43.83911
    9     7 S   O2Z  _O12     9     1.26234   114.92417   135.21864
   10     5 S   CT   _CB1    10     1.53091   107.41737  -164.16503
   11    10 S   HC   HB11    11     1.09828   109.28566   -50.61018
   12    10 S   HC   HB12    12     1.09815   110.44574    65.92930
   13    10 S   CT   _CG1    13     1.53029   112.69816  -171.68459
   14    13 S   HC   HG11    14     1.09593   110.50708   -65.19622
   15    13 S   HC   HG12    15     1.09659   109.89943    54.01231
   16    13 S   C    _CD1    16     1.51849   112.28684   174.34958
   17    16 S   O    _OE1    17     1.22757   123.27484     1.44834
   18    16 S   N    _N2_    18     1.38578   111.74934  -178.51102
   19    18 S   H    _HN2    19     1.01557   118.99598     4.25754
   20    18 S   CT1  _CA2    20     1.45786   122.81064   177.37758
   21    20 S   HC   _HA2    21     1.09743   108.92736    24.07093
   22    20 S   C    _C2_    22     1.52986   107.24859   -92.78555
   23    22 S   O    _O2_    23     1.22956   123.14032   -24.02895
   24    20 S   CT   _CB2    32     1.53175   112.29693   147.22416
   25    24 S   HC   HB21    33     1.09596   110.44742    53.42601
   26    24 S   HC   HB22    34     1.09448   109.81906   172.32862
   27    22 S   N    _N3_    24     1.38516   112.43661   158.70327
   28    27 S   H    _HN3    25     1.01657   120.28025    -2.56826
   29    24 S   S    _SG2    35     1.82623   111.20850   -67.32939
   30    27 S   CT   _CA3    26     1.45349   122.64556   178.26957
   31    30 S   HC   HA31    27     1.09562   108.05719   -51.00294
   32    30 S   HC   HA32    28     1.09554   107.43162    65.40859
   33    29 S   CT   _C10    36     1.84371    99.57236  -179.04019
   34    33 S   HC   _H3_    37     1.09476   105.72149   -49.25185
   35    30 S   CO3  _C3_    29     1.52916   114.20251  -172.97019
   36    35 S   O2Z  _O31    30     1.26349   116.02838     2.29217
   37    35 S   O2Z  _O32    31     1.26428   114.42596  -177.80715
   38    33 S   C5A  _C11    38     1.50164   112.10814    64.92971
   39    33 S   CM   _C8_    48     1.54199   108.97346  -167.04741
   40    38 S   C5BC _C12    39     1.38427   132.31279  -135.04265
   41    40 S   HA   _H9_    40     1.08105   125.86536     0.35936
   42    39 S   C5A  _C6_    49     1.45147   120.21924   -84.88130
   43    39 S   CMA  _C9_    57     1.36999   121.95759    96.07665
   44    43 S   OM   _O34    58     1.26170   131.26199   179.08059
   45    40 S   C5BC _C13    41     1.41778   106.88414  -179.43907
   46    45 S   HA   _H10    42     1.08069   127.64283   179.87967
   47    42 S   C5BC _C5_    50     1.39395   130.56790  -127.62260
   48    47 S   HA   _H5_    51     1.08160   125.39434    -1.53110
   49    43 S   NE   _N4_    59     1.37081   122.64220    -2.89313
   50    49 S   H    _H7_    60     1.00811   122.59074    -8.26201
   51    49 S   H    _H8_    61     1.01237   116.70151  -176.87588
   52    45 S   C5A  _C14    43     1.37092   105.00676     0.14402
   53    47 S   C5BC _C4_    52     1.41399   108.12930   178.00159
   54    53 S   HA   _H4_    53     1.08009   127.67643   179.90935
   55    38 S   OA   _O35    44     1.36922   117.86201    45.59047
   56    52 S   NO2  _N5_    45     1.41864   132.16940   179.48490
   57    56 S   ON   _O37    46     1.23688   116.46548    -0.11703
   58    56 S   ON   _O36    47     1.23687   117.57903  -179.90721
   59    53 S   C5A  _C7_    54     1.36992   105.77657    -0.47313
   60    59 S   HA   _H6_    55     1.08007   133.85079  -179.67918
   61    42 S   OA   _O33    56     1.38158   122.35587    49.27133
  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
