* LIGAND DATABASE FILE (OPLS2005)
*
001      58    58    103    160     310
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02077    89.61077   -69.81162
    3     1 S   H    _H1_     3     1.02117    90.98955    38.86113
    4     1 S   H    _H2_     4     1.02084    32.84877   163.24726
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08575   109.89770   179.12800
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C7_    36     1.82878    97.95163  -178.13491
   34    33 S   HC   _H3_    37     1.09722   106.29459    41.73733
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C4_    38     1.51607   109.51933   159.98310
   39    38 S   CT   _C6_    39     1.51093   116.96856    77.11858
   40    39 S   HC   _H14    40     1.09820   110.71638   172.58598
   41    39 S   HC   _H15    41     1.09768   108.68045   -71.17665
   42    38 S   CMA  _C5_    55     1.34260   121.58114  -105.62323
   43    42 S   OM   _O9_    56     1.26529   126.34721     2.82008
   44    39 S   CT   _C8_    42     1.53618   111.59550    50.59037
   45    44 S   HC   _H17    43     1.10018   109.80574    67.72343
   46    42 S   OH   _O10    57     1.40816   111.68892  -177.15917
   47    46 S   HO   _H22    58     0.97309   105.51246   179.94065
   48    44 S   CT   _C10    44     1.53920   110.94339   -52.94965
   49    48 S   HC   _H19    45     1.10234   109.37265   -66.30641
   50    44 S   NTH2 _N8_    52     1.46742   109.75140  -174.54091
   51    50 S   H    _H20    53     0.99441   117.73658   -35.99981
   52    50 S   H    _H21    54     0.99432   117.82319   157.52105
   53    33 S   CT   _C9_    46     1.53970   111.36849   -76.23990
   54    53 S   HC   _H18    47     1.11061   110.27955    46.65416
   55    48 S   OH   _O34    50     1.42735   110.30893   176.28127
   56    55 S   HO   _H24    51     0.96959   106.39577  -179.93744
   57    53 S   OH   _O33    48     1.43487   108.45880   161.12479
   58    57 S   HO   _H23    49     0.96631   105.99443   -59.96008
  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
  16   7   2   1   1  14  14   6   5   5   2  11   7   1   1  10
   6   4   1   1   5   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    53    54    57    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    53    54    57    58    55    42    43    46  
   38    39    48    53    54    57    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    53    54    57    50    42    43    46    47  
   40    41    44    45    48    49    53    55    50    51    52    42    43    46  
   41    44    45    48    50    42  
   44    45    48    50    42  
   43    46    47    44    53  
   46    47  
   45    48    49    53    54    57    55    56    50    51    52  
   48    49    53    55    50    51    52  
   47  
    0  
   49    53    54    57    58    55    56    50    51    52  
   53    54    57    55    56    50  
   51    52    53    55  
   52  
    0  
   54    57    58    55    56  
   57    58    55  
   56    57  
    0  
   58  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.0700   0.1700  -0.840200   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   51   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   52   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   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    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    53   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   268.000  1.529
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    50   300.000  1.468
   48    49   340.000  1.090
   48    53   268.000  1.529
   48    55   320.000  1.410
   53    54   340.000  1.090
   53    57   320.000  1.410
   57    58   553.000  0.945
   55    56   553.000  0.945
   50    51   495.000  1.019
   50    52   495.000  1.019
   42    43   745.000  1.250
   42    46   510.000  1.338
   46    47   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    53    75.00000  111.63000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    53    48    58.35000  112.70000
   33    53    54    37.50000  110.70000
   33    53    57    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    44    70.00000  112.02700
   38    42    43    65.00000  137.10300
   38    42    46    80.00000  121.38400
   39    44    45    37.50000  110.70000
   39    44    48    58.35000  112.70000
   39    44    50    80.00000  112.76400
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    53    58.35000  112.70000
   44    48    55    50.00000  109.50000
   44    50    51    50.00000  110.30900
   44    50    52    50.00000  110.30900
   48    44    45    37.50000  110.70000
   48    53    54    37.50000  110.70000
   48    53    57    50.00000  109.50000
   48    55    56    55.00000  108.50000
   53    33    34    37.50000  110.70000
   53    33    38    70.00000  112.02700
   53    48    49    37.50000  110.70000
   53    57    58    55.00000  108.50000
   57    53    54    35.00000  109.50000
   55    48    49    35.00000  109.50000
   55    48    53    50.00000  109.50000
   50    44    45    50.00000  110.79000
   50    44    48    80.00000  112.76400
   52    50    51    40.00000  106.77200
   42    38    39    70.00000  124.00000
   42    46    47    70.00000  107.45700
   46    42    43   115.00000  116.36000
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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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    53    48   0.44750  1.0 1.0
   29    33    53    48  -0.17800 -1.0 2.0
   29    33    53    48   0.20200  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    57   0.56750  1.0 1.0
   29    33    53    57  -0.07550 -1.0 2.0
   29    33    53    57   0.20000  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   0.46850  1.0 1.0
   33    38    39    44   0.08550 -1.0 2.0
   33    38    39    44   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    53    57    58  -0.11600  1.0 1.0
   33    53    57    58  -0.09450 -1.0 2.0
   33    53    57    58   0.21250  1.0 3.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    53    48   0.15000  1.0 3.0
   34    33    53    54   0.15000  1.0 3.0
   34    33    53    57   0.23400  1.0 3.0
   38    33    53    48   0.34400  1.0 1.0
   38    33    53    48   0.09450 -1.0 2.0
   38    33    53    48   0.11100  1.0 3.0
   38    33    53    54   0.15000  1.0 3.0
   38    33    53    57   1.05650  1.0 1.0
   38    33    53    57   0.15600 -1.0 2.0
   38    33    53    57   0.53150  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39   -44    48   0.34400  1.0 1.0
   38    39   -44    48   0.09450 -1.0 2.0
   38    39   -44    48   0.11100  1.0 3.0
   38    39    44    50   0.59950  1.0 1.0
   38    39    44    50  -0.21400 -1.0 2.0
   38    39    44    50   0.56200  1.0 3.0
   38    42    46    47  -0.66100  1.0 1.0
   38    42    46    47   1.20850 -1.0 2.0
   38    42    46    47  -0.36000  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   39    44    48    49   0.15000  1.0 3.0
   39    44    48    53   0.56750  1.0 1.0
   39    44    48    53  -0.07550 -1.0 2.0
   39    44    48    53   0.20000  1.0 3.0
   39    44    48    55   0.86500  1.0 1.0
   39    44    48    55  -0.17500 -1.0 2.0
   39    44    48    55   0.20800  1.0 3.0
   39    44    50    51   0.21650  1.0 1.0
   39    44    50    51   0.26250 -1.0 2.0
   39    44    50    51   0.12450  1.0 3.0
   39    44    50    52   0.21650  1.0 1.0
   39    44    50    52   0.26250 -1.0 2.0
   39    44    50    52   0.12450  1.0 3.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    48   0.15000  1.0 3.0
   40    39    44    50   0.15000  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    48   0.15000  1.0 3.0
   41    39    44    50   0.15000  1.0 3.0
   44    48   -53    33   0.56750  1.0 1.0
   44    48   -53    33  -0.07550 -1.0 2.0
   44    48   -53    33   0.20000  1.0 3.0
   44    48    53    54   0.15000  1.0 3.0
   44    48    53    57   0.86500  1.0 1.0
   44    48    53    57  -0.17500 -1.0 2.0
   44    48    53    57   0.20800  1.0 3.0
   44    48    55    56  -0.11600  1.0 1.0
   44    48    55    56  -0.09450 -1.0 2.0
   44    48    55    56   0.21250  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    53   0.15000  1.0 3.0
   45    44    48    55   0.23400  1.0 3.0
   45    44    50    51   0.20000  1.0 3.0
   45    44    50    52   0.20000  1.0 3.0
   48    44    50    51   0.21650  1.0 1.0
   48    44    50    51   0.26250 -1.0 2.0
   48    44    50    51   0.12450  1.0 3.0
   48    44    50    52   0.21650  1.0 1.0
   48    44    50    52   0.26250 -1.0 2.0
   48    44    50    52   0.12450  1.0 3.0
   48    53    57    58  -0.11600  1.0 1.0
   48    53    57    58  -0.09450 -1.0 2.0
   48    53    57    58   0.21250  1.0 3.0
   49    48    53    33   0.15000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    57   0.23400  1.0 3.0
   49    48    55    56   0.19450  1.0 3.0
   53    33   -38    39   0.46850  1.0 1.0
   53    33   -38    39   0.08550 -1.0 2.0
   53    33   -38    39   0.09800  1.0 3.0
   53    33    38    42   0.09850  1.0 1.0
   53    33    38    42   0.15250 -1.0 2.0
   53    33    38    42  -0.50650  1.0 3.0
   53    48    55    56  -0.11600  1.0 1.0
   53    48    55    56  -0.09450 -1.0 2.0
   53    48    55    56   0.21250  1.0 3.0
   54    53    57    58   0.19450  1.0 3.0
   55    48    53    33   0.86500  1.0 1.0
   55    48    53    33  -0.17500 -1.0 2.0
   55    48    53    33   0.20800  1.0 3.0
   55    48    53    54   0.23400  1.0 3.0
   55    48    53    57   3.75450  1.0 1.0
   50    44    48    49   0.15000  1.0 3.0
   50    44    48    53   1.85550  1.0 1.0
   50    44    48    53  -0.84100 -1.0 2.0
   50    44    48    55   5.28650  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   0.09850  1.0 1.0
   42    38    39    44   0.15250 -1.0 2.0
   42    38    39    44  -0.50650  1.0 3.0
   43    42    46    47   2.00000 -1.0 2.0
IPHI
    9     5     7     8  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    35    36  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
