* LIGAND DATABASE FILE (OPLS2005)
*
001      58    58    103    157     304
    1     0 S   NP   _N1_     1    28.75181    95.44185   -24.13069
    2     1 S   H    _HN1     2     1.02787   109.11874   -89.51666
    3     1 S   H    _H1_     3     1.02951    76.48561    15.52886
    4     1 S   H    _H2_     4     1.02830    32.18779   177.07383
    5     1 S   CT   _CA1     5     1.50112   132.59331   120.96545
    6     5 S   HC   _HA1     6     1.09573   105.19935    87.42824
    7     5 S   CO3  _C1_     7     1.53795   112.48111   -32.81180
    8     7 S   O2Z  _O11     8     1.26372   115.00780   -42.23074
    9     7 S   O2Z  _O12     9     1.26243   114.95016   136.93848
   10     5 S   CT   _CB1    10     1.53086   107.42338  -154.58239
   11    10 S   HC   HB11    11     1.09831   109.38522   -49.74852
   12    10 S   HC   HB12    12     1.09813   110.43791    66.86652
   13    10 S   CT   _CG1    13     1.52980   112.59637  -170.73861
   14    13 S   HC   HG11    14     1.09586   110.60404   -65.29119
   15    13 S   HC   HG12    15     1.09670   109.81049    53.93213
   16    13 S   C    _CD1    16     1.51797   112.28278   174.38822
   17    16 S   O    _OE1    17     1.22723   123.31711     5.64132
   18    16 S   N    _N2_    18     1.38649   111.62192  -174.45285
   19    18 S   H    _HN2    19     1.01582   118.91252     1.85583
   20    18 S   CT1  _CA2    20     1.46201   123.43210   177.84750
   21    20 S   HC   _HA2    21     1.09733   109.40341     1.93715
   22    20 S   C    _C2_    22     1.53530   108.54254  -113.58477
   23    22 S   O    _O2_    23     1.23054   122.28336  -147.46435
   24    20 S   CT   _CB2    32     1.53349   111.50997   123.99526
   25    24 S   HC   HB21    33     1.09583   109.95933    55.88055
   26    24 S   HC   HB22    34     1.09421   110.07071   174.92727
   27    22 S   N    _N3_    24     1.38328   113.68203    39.94496
   28    27 S   H    _HN3    25     1.01591   119.59273    -3.30109
   29    24 S   S    _SG2    35     1.82771   111.45369   -65.08300
   30    27 S   CT   _CA3    26     1.45290   123.20268   177.13673
   31    30 S   HC   HA31    27     1.09549   107.50592   -64.57844
   32    30 S   HC   HA32    28     1.09557   107.98645    51.85808
   33    29 S   CT   _C5_    36     1.84269    99.76148   169.37436
   34    33 S   HC   _H3_    37     1.09436   107.65412   -44.06799
   35    30 S   CO3  _C3_    29     1.52959   114.08358   173.85270
   36    35 S   O2Z  _O31    30     1.26375   116.06409    -0.83298
   37    35 S   O2Z  _O32    31     1.26428   114.41402   179.22924
   38    33 S   CM   _C6_    38     1.51742   108.01238  -162.31567
   39    38 S   CM   _C7_    39     1.34483   122.36439   -95.43693
   40    39 S   HC   _H7_    40     1.08475   122.00658   179.16678
   41    38 S   CT   _C10    48     1.52031   117.53921    83.99810
   42    41 S   HC   _H8_    49     1.09895   109.85341  -165.49201
   43    41 S   HC   _H9_    50     1.09813   108.32554   -51.09943
   44    39 S   CO4  _C8_    41     1.47578   121.31755     0.28046
   45    44 S   O    _O33    42     1.22113   122.69109   173.41352
   46    41 S   CT1  _C11    51     1.53443   113.62713    71.04086
   47    46 S   HC   _H4_    52     1.09606   110.02399   -57.65133
   48    44 S   CO4  _C9_    43     1.50664   117.88038    -6.71174
   49    48 S   O    _O34    44     1.22193   119.20711   166.99340
   50    46 S   CO3  _C12    53     1.54514   115.43223    65.66307
   51    50 S   O2Z  _O36    54     1.26271   116.58786    26.85944
   52    50 S   O2Z  _O35    55     1.26657   114.24616  -153.02557
   53    46 S   NT   _N4_    56     1.47097   109.44342  -176.03899
   54    53 S   H    _H10    57     1.02032   109.12046   175.58971
   55    53 S   H    _H11    58     1.01901   109.55980    59.66157
   56    33 S   CT   _C4_    45     1.52957   111.63294    74.25357
   57    56 S   HC   _H5_    46     1.09445   112.06798   -49.98561
   58    56 S   HC   _H6_    47     1.09759   109.88773  -168.61222
  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
  14   7   2   1   1  15  10   4  12   5   4   6   3   7   6   4
   3   5   2   1   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    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    56    57    58    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    48    49    56    57    58    41    42    43    46  
   38    39    48    56    57    58    41  
   36    37  
   37  
    0  
   39    40    44    45    48    56    57    58    41    42    43    46    47    50    53  
   40    44    45    48    49    56    41    42    43    46  
   44    45    48    41  
   42    43    46    47    50    51    52    53    54    55    44    56  
   43    46    47    50    53  
   46    47    50    53  
   45    48    49    56    57    58  
   48    49    56  
   47    50    51    52    53    54    55  
   50    51    52    53    54    55  
   49    56    57    58  
   56    57    58  
   51    52    53    54    55  
   52    53  
   53  
   54    55  
   55  
    0  
   57    58  
   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660   0.063900   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   54   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   55   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.060000   1.3810   1.2100   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    56   268.000  1.529
   38    39   549.000  1.340
   38    41   317.000  1.510
   39    40   340.000  1.080
   39    44   320.000  1.462
   44    45   570.000  1.229
   44    48   250.000  1.523
   48    49   570.000  1.229
   48    56   317.000  1.522
   56    57   340.000  1.090
   56    58   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   268.000  1.529
   46    47   340.000  1.090
   46    50   317.000  1.522
   46    53   305.000  1.457
   50    51   656.000  1.250
   50    52   656.000  1.250
   53    54   434.000  1.010
   53    55   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    75.00000  112.20000
   29    33    56    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.92700
   33    56    48    63.00000  111.10000
   33    56    57    37.50000  110.70000
   33    56    58    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  120.00000
   38    39    44    65.00000  118.96000
   38    41    42    35.00000  109.50000
   38    41    43    35.00000  109.50000
   38    41    46    70.00000  112.02700
   39    44    45    80.00000  123.72100
   39    44    48    65.00000  116.00000
   44    39    40    40.00000  117.72500
   44    48    49    80.00000  119.30300
   44    48    56    65.00000  115.45000
   48    44    45    80.00000  119.30300
   48    56    57    35.00000  109.50000
   48    56    58    35.00000  109.50000
   56    33    34    37.50000  110.70000
   56    33    38    70.00000  112.02700
   56    48    49    80.00000  120.40000
   58    56    57    33.00000  107.80000
   41    38    39    70.00000  124.00000
   41    46    47    37.50000  110.70000
   41    46    50    63.00000  111.10000
   41    46    53    80.00000  111.22000
   43    41    42    33.00000  107.80000
   46    41    42    37.50000  110.70000
   46    41    43    37.50000  110.70000
   46    50    51    70.00000  117.00000
   46    50    52    70.00000  117.00000
   46    53    54    50.00000  111.55300
   46    53    55    50.00000  111.55300
   50    46    47    35.00000  109.50000
   52    50    51    80.00000  126.00000
   53    46    47    50.00000  109.55000
   53    46    50    75.00000  111.54000
   55    53    54    43.60000  106.40000
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    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    56    48   0.56750  1.0 1.0
   29    33    56    48  -0.07550 -1.0 2.0
   29    33    56    48   0.20000  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    58   0.15000  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    44   7.00000 -1.0 2.0
   33    38    41    42   0.34800  1.0 3.0
   33    38    41    43   0.34800  1.0 3.0
   33    38    41    46   0.46850  1.0 1.0
   33    38    41    46   0.08550 -1.0 2.0
   33    38    41    46   0.09800  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    56    48  -0.11250  1.0 3.0
   34    33    56    57   0.15000  1.0 3.0
   34    33    56    58   0.15000  1.0 3.0
   38    33    56    48  -0.98800  1.0 1.0
   38    33    56    48   0.48800 -1.0 2.0
   38    33    56    48   0.76800  1.0 3.0
   38    33    56    57   0.15000  1.0 3.0
   38    33    56    58   0.15000  1.0 3.0
   38    39    44    45   1.00000 -1.0 2.0
   38    39   -44    48   0.50400  1.0 1.0
   38    39   -44    48   1.60000 -1.0 2.0
   38    39   -44    48  -0.01800  1.0 3.0
   38    41    46    47   0.15000  1.0 3.0
   38    41    46    50  -0.98800  1.0 1.0
   38    41    46    50   0.48800 -1.0 2.0
   38    41    46    50   0.76800  1.0 3.0
   38    41    46    53   0.59950  1.0 1.0
   38    41    46    53  -0.21400 -1.0 2.0
   38    41    46    53   0.56200  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   39    38    41    46   0.09850  1.0 1.0
   39    38    41    46   0.15250 -1.0 2.0
   39    38    41    46  -0.50650  1.0 3.0
   39    44    48    49   0.03000  1.0 1.0
   39    44    48    49   0.58800 -1.0 2.0
   39    44    48    49   0.15550  1.0 3.0
   39    44    48    56   0.43900  1.0 1.0
   39    44    48    56  -0.18150 -1.0 2.0
   39    44    48    56  -0.03650  1.0 3.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.92800 -1.0 2.0
   44    48   -56    33   0.65300  1.0 1.0
   44    48   -56    33  -0.03850 -1.0 2.0
   44    48   -56    33   0.33900  1.0 3.0
   44    48    56    57   0.00000  1.0 1.0
   44    48    56    58   0.00000  1.0 1.0
   45    44    48    49   0.06100 -1.0 2.0
   45    44    48    56   0.49600 -1.0 2.0
   49    48    56    33   0.30150 -1.0 2.0
   49    48    56    57   0.00000  1.0 1.0
   49    48    56    58   0.00000  1.0 1.0
   56    33   -38    39   0.09850  1.0 1.0
   56    33   -38    39   0.15250 -1.0 2.0
   56    33   -38    39  -0.50650  1.0 3.0
   56    33    38    41   0.46850  1.0 1.0
   56    33    38    41   0.08550 -1.0 2.0
   56    33    38    41   0.09800  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    44   7.00000 -1.0 2.0
   41    46    50    51   0.00000  1.0 1.0
   41    46    50    52   0.00000  1.0 1.0
   41    46    53    54  -0.05950  1.0 1.0
   41    46    53    54   0.08850 -1.0 2.0
   41    46    53    54   0.11750  1.0 3.0
   41    46    53    55  -0.05950  1.0 1.0
   41    46    53    55   0.08850 -1.0 2.0
   41    46    53    55   0.11750  1.0 3.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    50  -0.03800  1.0 3.0
   42    41    46    53   0.15000  1.0 3.0
   43    41    46    47   0.15000  1.0 3.0
   43    41    46    50  -0.03800  1.0 3.0
   43    41    46    53   0.15000  1.0 3.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    52   0.00000  1.0 1.0
   47    46    53    54   0.20000  1.0 3.0
   47    46    53    55   0.20000  1.0 3.0
   50    46    53    54   0.21900  1.0 1.0
   50    46    53    54  -0.24900 -1.0 2.0
   50    46    53    54   0.15200  1.0 3.0
   50    46    53    55   0.21900  1.0 1.0
   50    46    53    55  -0.24900 -1.0 2.0
   50    46    53    55   0.15200  1.0 3.0
   53    46    50    51   0.30150 -1.0 2.0
   53    46    50    52   0.30150 -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    41    38    39   1.10000 -1.0 2.0
   44    40    39    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   44    56    48    49  10.50000 -1.0 2.0
   51    46    50    52  10.50000 -1.0 2.0
END
