* LIGAND DATABASE FILE (OPLS2005)
*
001      60    60    110    160     319
    1     0 S   NP   _N1_     1    28.76219    95.04694   -20.71996
    2     1 S   H    _HN1     2     1.02829    32.87223   160.53519
    3     1 S   H    _H1_     3     1.02771    87.82052   -70.62305
    4     1 S   H    _H2_     4     1.02969    89.89761    37.74268
    5     1 S   CT   _CA1     5     1.50146   143.59458   163.38602
    6     5 S   HC   _HA1     6     1.09577   105.20561    57.38918
    7     5 S   CO3  _C1_     7     1.53769   112.44432   -62.68743
    8     7 S   O2Z  _O11     8     1.26344   114.99395   -41.29293
    9     7 S   O2Z  _O12     9     1.26242   114.93867   137.86265
   10     5 S   CT   _CB1    10     1.53092   107.38310   175.22767
   11    10 S   HC   HB11    11     1.09816   109.19708   -51.20371
   12    10 S   HC   HB12    12     1.09824   110.42721    65.29644
   13    10 S   CT   _CG1    13     1.52993   112.76634  -172.42897
   14    13 S   HC   HG11    14     1.09587   110.26910   -64.62238
   15    13 S   HC   HG12    15     1.09643   110.13057    54.55686
   16    13 S   C    _CD1    16     1.51829   112.33559   174.67730
   17    16 S   O    _OE1    17     1.22725   123.24819    -9.19917
   18    16 S   N    _N2_    18     1.38608   111.64380   171.54002
   19    18 S   H    _HN2    19     1.01595   118.95981     0.43790
   20    18 S   CT1  _CA2    20     1.46258   123.47874  -178.92117
   21    20 S   HC   _HA2    21     1.09734   109.35287   -15.31670
   22    20 S   C    _C2_    22     1.53410   108.29261  -131.01100
   23    22 S   O    _O2_    23     1.23011   122.25607  -146.02311
   24    20 S   CT   _CB2    32     1.53429   111.26662   106.87870
   25    24 S   HC   HB21    33     1.09573   109.56736    54.12490
   26    24 S   HC   HB22    34     1.09497   110.76667   172.77566
   27    22 S   N    _N3_    24     1.38513   113.33135    41.37717
   28    27 S   H    _HN3    25     1.01534   118.89460    -0.67493
   29    24 S   S    _SG2    35     1.82817   111.59846   -67.91487
   30    27 S   CT   _CA3    26     1.45454   123.48945   175.06378
   31    30 S   HC   HA31    27     1.09520   109.27190    23.53765
   32    30 S   HC   HA32    28     1.09495   107.10890   140.55626
   33    29 S   CT   _C7_    36     1.84095   100.01940   145.13739
   34    33 S   HC   _H4_    37     1.09448   106.26320   -47.66062
   35    30 S   CO3  _C3_    29     1.52928   113.11104   -99.96024
   36    35 S   O2Z  _O31    30     1.26402   115.41186   -43.94691
   37    35 S   O2Z  _O32    31     1.26355   114.97575   136.98214
   38    33 S   CM   _C8_    38     1.52603   108.39433  -166.85169
   39    38 S   CT   _C11    39     1.51698   113.61922   -77.79495
   40    39 S   HC   _H15    40     1.09645   110.17449    68.24394
   41    39 S   HC   _H16    41     1.09478   114.19359  -171.91274
   42    38 S   CMA  _C9_    54     1.36449   123.92122   103.35634
   43    42 S   OM   _O33    55     1.26868   125.25481   177.91231
   44    39 S   NP   _N4_    42     1.51447   113.28861   -50.30346
   45    44 S   H    _H3_    43     1.02842   105.95058   169.55080
   46    42 S   OS   _O34    56     1.41787   111.90787    -0.65492
   47    44 S   CT   _C5_    44     1.50693   111.67906    54.33802
   48    47 S   HC   _H8_    45     1.09508   107.61877  -177.39909
   49    47 S   HC   _H9_    46     1.09534   106.75318    66.77738
   50    44 S   CT   _C4_    50     1.50493   112.79753   -75.63321
   51    50 S   HC   _H5_    51     1.09214   109.53420    62.02793
   52    50 S   HC   _H6_    52     1.09306   107.97358  -177.04521
   53    50 S   HC   _H7_    53     1.09330   107.87266   -58.52169
   54    46 S   CT   _C10    57     1.42834   113.30664  -131.62905
   55    54 S   HC   _H12    58     1.09397   107.73024   171.21978
   56    54 S   HC   _H13    59     1.09549   111.04438    53.05779
   57    54 S   HC   _H14    60     1.09467   111.09094   -70.75140
   58    33 S   CT   _C6_    47     1.53745   112.64504    69.34891
   59    58 S   HC   _H10    48     1.09641   110.79521   -50.67221
   60    58 S   HC   _H11    49     1.09800   108.37229  -165.64138
  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
  15   7   2   1   1  14  15   6   5   8   2  11   8   4   9   5
   4   4   2   1   1   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    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    47    58    59    60    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    48    49    58    59    60    42    43    46  
   38    39    47    58    59    60    42  
   36    37  
   37  
    0  
   39    40    41    44    45    47    58    59    60    50    42    43    46    54  
   40    41    44    45    47    48    49    58    50    51    52    53    42    43    46  
   41    44    45    47    50    42  
   44    45    47    50    42  
   43    46    54    55    56    57    44    58  
   46    54  
   45    47    48    49    58    59    60    50    51    52    53  
   47    48    49    58    50    51    52    53  
   54    55    56    57  
   48    49    58    59    60    50    51    52    53  
   49    58    59    60    50  
   58    59    60    50  
   51    52    53    58  
   52    53  
   53  
    0  
   55    56    57  
   56    57  
   57  
    0  
   59    60  
   60  
    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   1.6450   1.4500   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   45   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   46   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.6450   1.4500   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    58   268.000  1.529
   38    39   317.000  1.510
   38    42   465.000  1.376
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   367.000  1.471
   44    45   434.000  1.010
   44    47   367.000  1.471
   44    50   367.000  1.471
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   42    43   745.000  1.250
   42    46   440.000  1.360
   46    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    58    75.00000  111.63000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    58    47    58.35000  112.70000
   33    58    59    37.50000  110.70000
   33    58    60    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    44    75.00000  110.06800
   38    42    43    65.00000  137.10300
   38    42    46    80.00000  120.01400
   39    44    45    35.00000  109.50000
   39    44    47    75.00000  113.01200
   39    44    50    75.00000  113.01200
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    47    48    35.00000  109.50000
   44    47    49    35.00000  109.50000
   44    47    58    80.00000  111.20000
   44    50    51    35.00000  109.50000
   44    50    52    35.00000  109.50000
   44    50    53    35.00000  109.50000
   47    44    45    35.00000  109.50000
   47    58    59    37.50000  110.70000
   47    58    60    37.50000  110.70000
   49    47    48    33.00000  107.80000
   58    33    34    37.50000  110.70000
   58    33    38    70.00000  112.02700
   58    47    48    37.50000  110.70000
   58    47    49    37.50000  110.70000
   60    58    59    33.00000  107.80000
   50    44    45    35.00000  109.50000
   50    44    47    75.00000  113.01200
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   42    38    39    70.00000  124.00000
   42    46    54    90.00000  111.18400
   46    42    43    65.00000  121.00000
   46    54    55    35.00000  109.50000
   46    54    56    35.00000  109.50000
   46    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  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    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   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   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    58    47   0.44750  1.0 1.0
   29    33    58    47  -0.17800 -1.0 2.0
   29    33    58    47   0.20200  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    60   0.15000  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    41   0.34800  1.0 3.0
   33    38    39    44   0.52100  1.0 1.0
   33    38    39    44  -0.20350 -1.0 2.0
   33    38    39    44   0.29750  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    58    47   0.15000  1.0 3.0
   34    33    58    59   0.15000  1.0 3.0
   34    33    58    60   0.15000  1.0 3.0
   38    33    58    47   0.34400  1.0 1.0
   38    33    58    47   0.09450 -1.0 2.0
   38    33    58    47   0.11100  1.0 3.0
   38    33    58    59   0.15000  1.0 3.0
   38    33    58    60   0.15000  1.0 3.0
   38    39    44    45   0.17350  1.0 3.0
   38    39   -44    47   0.08000 -1.0 2.0
   38    39    44    50   0.08000 -1.0 2.0
   38    42    46    54  -2.26850  1.0 1.0
   38    42    46    54   3.39050 -1.0 2.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   39    44    47    48   0.15000  1.0 3.0
   39    44    47    49   0.15000  1.0 3.0
   39    44    47    58   0.47100  1.0 1.0
   39    44    50    51   0.15000  1.0 3.0
   39    44    50    52   0.15000  1.0 3.0
   39    44    50    53   0.15000  1.0 3.0
   40    39    44    45   0.13050  1.0 3.0
   40    39    44    47   0.15000  1.0 3.0
   40    39    44    50   0.15000  1.0 3.0
   41    39    44    45   0.13050  1.0 3.0
   41    39    44    47   0.15000  1.0 3.0
   41    39    44    50   0.15000  1.0 3.0
   44    47   -58    33   1.36600  1.0 1.0
   44    47   -58    33  -0.11450 -1.0 2.0
   44    47   -58    33   0.24250  1.0 3.0
   44    47    58    59   0.19200  1.0 3.0
   44    47    58    60   0.19200  1.0 3.0
   45    44    47    48   0.13050  1.0 3.0
   45    44    47    49   0.13050  1.0 3.0
   45    44    47    58   0.17350  1.0 3.0
   45    44    50    51   0.13050  1.0 3.0
   45    44    50    52   0.13050  1.0 3.0
   45    44    50    53   0.13050  1.0 3.0
   47    44    50    51   0.15000  1.0 3.0
   47    44    50    52   0.15000  1.0 3.0
   47    44    50    53   0.15000  1.0 3.0
   48    47    58    33   0.15000  1.0 3.0
   48    47    58    59   0.15000  1.0 3.0
   48    47    58    60   0.15000  1.0 3.0
   49    47    58    33   0.15000  1.0 3.0
   49    47    58    59   0.15000  1.0 3.0
   49    47    58    60   0.15000  1.0 3.0
   58    33   -38    39   0.46850  1.0 1.0
   58    33   -38    39   0.08550 -1.0 2.0
   58    33   -38    39   0.09800  1.0 3.0
   58    33    38    42   0.09850  1.0 1.0
   58    33    38    42   0.15250 -1.0 2.0
   58    33    38    42  -0.50650  1.0 3.0
   50    44    47    48   0.15000  1.0 3.0
   50    44    47    49   0.15000  1.0 3.0
   50    44    47    58   0.47100  1.0 1.0
   42    38    39    40   0.00000  1.0 1.0
   42    38    39    41   0.00000  1.0 1.0
   42    38    39    44   0.80850  1.0 1.0
   42    38    39    44  -0.47300 -1.0 2.0
   42    38    39    44  -0.52300  1.0 3.0
   42    46    54    55   0.08050  1.0 3.0
   42    46    54    56   0.08050  1.0 3.0
   42    46    54    57   0.08050  1.0 3.0
   43    42    46    54   2.00000 -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
   33    39    38    42   1.10000 -1.0 2.0
   43    46    42    38   1.10000 -1.0 2.0
END
