* LIGAND DATABASE FILE (OPLS2005)
*
001      61    61    109    159     314
    1     0 S   NP   _N1_     1    28.72158    95.29111   -23.22603
    2     1 S   H    _HN1     2     1.02786   104.68230   -93.06586
    3     1 S   H    _H1_     3     1.02951    78.33190    13.09645
    4     1 S   H    _H2_     4     1.02829    32.06201   166.57525
    5     1 S   CT   _CA1     5     1.50114   136.00859   120.46818
    6     5 S   HC   _HA1     6     1.09572   105.20896    83.40388
    7     5 S   CO3  _C1_     7     1.53795   112.43013   -36.86246
    8     7 S   O2Z  _O11     8     1.26375   115.00668   -43.05854
    9     7 S   O2Z  _O12     9     1.26237   114.94374   136.07231
   10     5 S   CT   _CB1    10     1.53078   107.42079  -158.59724
   11    10 S   HC   HB11    11     1.09833   109.40751   -49.59680
   12    10 S   HC   HB12    12     1.09815   110.42930    67.01316
   13    10 S   CT   _CG1    13     1.52992   112.60496  -170.57248
   14    13 S   HC   HG11    14     1.09584   110.61655   -64.82532
   15    13 S   HC   HG12    15     1.09667   109.81861    54.41846
   16    13 S   C    _CD1    16     1.51796   112.21958   174.88603
   17    16 S   O    _OE1    17     1.22733   123.28277     5.76551
   18    16 S   N    _N2_    18     1.38659   111.67864  -174.38179
   19    18 S   H    _HN2    19     1.01584   118.95439     1.96344
   20    18 S   CT1  _CA2    20     1.46200   123.35618   178.18425
   21    20 S   HC   _HA2    21     1.09736   109.34528     1.90187
   22    20 S   C    _C2_    22     1.53525   108.68174  -113.62503
   23    22 S   O    _O2_    23     1.23059   122.25638  -148.18626
   24    20 S   CT   _CB2    32     1.53386   111.59536   123.84096
   25    24 S   HC   HB21    33     1.09479   109.85270    57.13181
   26    24 S   HC   HB22    34     1.09513   110.10745   176.14227
   27    22 S   N    _N3_    24     1.38322   113.70874    39.25835
   28    27 S   H    _HN3    25     1.01591   119.57812    -3.39344
   29    24 S   S    _SG2    35     1.82710   111.44077   -63.95816
   30    27 S   CT   _CA3    26     1.45289   123.20357   177.10166
   31    30 S   HC   HA31    27     1.09549   107.51217   -64.45727
   32    30 S   HC   HA32    28     1.09556   107.97936    51.97648
   33    29 S   CT   _C11    36     1.83513    99.89046  -173.71110
   34    33 S   HC   _H3_    37     1.09598   108.52290    49.37672
   35    30 S   CO3  _C3_    29     1.52957   114.08857   173.96879
   36    35 S   O2Z  _O31    30     1.26374   116.06590    -0.75821
   37    35 S   O2Z  _O32    31     1.26428   114.41251   179.30339
   38    33 S   CO4  _C7_    38     1.51820   106.72185   165.15080
   39    38 S   O    _O13    39     1.23113   120.97795   -91.54471
   40    38 S   CM   _C5_    40     1.49734   118.49967    85.40375
   41    40 S   CM   _C4_    41     1.34016   119.78103    13.55031
   42    41 S   HC   _H15    42     1.08527   121.37507  -178.67205
   43    40 S   CT   _C14    48     1.50612   117.99750  -166.66178
   44    43 S   HC   _H26    49     1.09563   110.61403  -161.41748
   45    43 S   HC   _H27    50     1.09750   109.74724   -46.80961
   46    41 S   CO4  _C6_    43     1.48031   122.41825     2.54245
   47    46 S   O    _O33    44     1.22903   119.80751  -175.29435
   48    43 S   CM   _C8_    51     1.50445   111.98295    73.94614
   49    48 S   HC   _H16    52     1.08997   114.25638   -79.14707
   50    33 S   CT   _C10    45     1.52060   113.52371   -72.26294
   51    50 S   HC   _H17    46     1.09757   109.64989   169.27731
   52    50 S   HC   _H18    47     1.09430   111.68316    50.71902
   53    48 S   CM   _C9_    53     1.34691   127.76197   101.55069
   54    53 S   CT   _C12    54     1.50571   120.45408   179.03897
   55    54 S   HC   _H20    55     1.09497   110.26877   119.30586
   56    54 S   HC   _H21    56     1.09511   112.41730    -0.80551
   57    54 S   HC   _H22    57     1.09496   110.21418  -120.87429
   58    53 S   CT   _C13    58     1.50260   125.16644    -1.69142
   59    58 S   HC   _H23    59     1.09490   110.07911   116.19610
   60    58 S   HC   _H24    60     1.09537   110.03906  -124.50140
   61    58 S   HC   _H25    61     1.09202   113.54870    -4.70561
  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
  11   7   2   1   1  12   4  11  10   4   8   4   3   4   3  10
   3   2   1   1   8   7   3   2   1   3   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    50    51    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    46    47    50    51    52    43  
   38    39    40    46    50    51    52  
   36    37  
   37  
    0  
   39    40    41    42    46    50    51    52    43    44    45    48  
   40    41    50    43  
   41    42    46    47    50    43    44    45    48    49    53  
   42    46    47    50    51    52    43    44    45    48  
   46    47    50    43  
   44    45    48    49    53    54    58    46  
   45    48    49    53  
   48    49    53  
   47    50    51    52  
   50    51    52  
   49    53    54    55    56    57    58    59    60    61  
   53    54    58  
   51    52  
   52  
    0  
   54    55    56    57    58    59    60    61  
   55    56    57    58    59    60    61  
   56    57    58  
   57    58  
   58  
   59    60    61  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   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  1.522
   33    50   268.000  1.529
   38    39   570.000  1.229
   38    40   320.000  1.462
   40    41   549.000  1.340
   40    43   317.000  1.510
   41    42   340.000  1.080
   41    46   320.000  1.462
   46    47   570.000  1.229
   46    50   317.000  1.522
   50    51   340.000  1.090
   50    52   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.510
   48    49   340.000  1.080
   48    53   549.000  1.340
   53    54   317.000  1.510
   53    58   317.000  1.510
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   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  110.18000
   29    33    50    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    50    46    63.00000  111.10000
   33    50    51    37.50000  110.70000
   33    50    52    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  118.96000
   38    40    43    65.00000  116.34900
   40    38    39    80.00000  123.72100
   40    41    42    35.00000  120.00000
   40    41    46    65.00000  118.96000
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    48    70.00000  110.12100
   41    46    47    80.00000  123.72100
   41    46    50    65.00000  118.62400
   46    41    42    40.00000  117.72500
   46    50    51    35.00000  109.50000
   46    50    52    35.00000  109.50000
   50    33    34    37.50000  110.70000
   50    33    38    63.00000  111.10000
   50    46    47    80.00000  120.40000
   52    50    51    33.00000  107.80000
   43    40    41    70.00000  124.00000
   43    48    49    35.00000  117.00000
   43    48    53    70.00000  124.00000
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   48    53    54    70.00000  124.00000
   48    53    58    70.00000  124.00000
   53    48    49    35.00000  120.00000
   53    54    55    35.00000  109.50000
   53    54    56    35.00000  109.50000
   53    54    57    35.00000  109.50000
   53    58    59    35.00000  109.50000
   53    58    60    35.00000  109.50000
   53    58    61    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
   58    53    54    65.00000  117.92700
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    50    46   0.56750  1.0 1.0
   29    33    50    46  -0.07550 -1.0 2.0
   29    33    50    46   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    52   0.15000  1.0 3.0
   33    38    40    41  -0.33500  1.0 1.0
   33    38    40    41   1.06600 -1.0 2.0
   33    38    40    41  -0.14000  1.0 3.0
   33    38    40    43   0.25700  1.0 1.0
   33    38    40    43   0.66200 -1.0 2.0
   33    38    40    43   0.04450  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    50    46  -0.11250  1.0 3.0
   34    33    50    51   0.15000  1.0 3.0
   34    33    50    52   0.15000  1.0 3.0
   38    33    50    46   0.11950  1.0 1.0
   38    33    50    46   0.20300 -1.0 2.0
   38    33    50    46  -0.70800  1.0 3.0
   38    33    50    51  -0.11250  1.0 3.0
   38    33    50    52  -0.11250  1.0 3.0
   38    40    41    42   7.00000 -1.0 2.0
   38    40   -41    46   7.00000 -1.0 2.0
   38    40    43    44   0.15000  1.0 3.0
   38    40    43    45   0.15000  1.0 3.0
   38    40    43    48   0.09700  1.0 1.0
   38    40    43    48   0.15600 -1.0 2.0
   38    40    43    48  -0.50800  1.0 3.0
   39    38    40    41   1.00000 -1.0 2.0
   39    38    40    43  -0.64400  1.0 1.0
   39    38    40    43   0.26850 -1.0 2.0
   40    41    46    47   1.00000 -1.0 2.0
   40    41    46    50  -0.33500  1.0 1.0
   40    41    46    50   1.06600 -1.0 2.0
   40    41    46    50  -0.14000  1.0 3.0
   40    43    48    49   0.00000  1.0 1.0
   40    43    48    53  -0.28300  1.0 1.0
   40    43    48    53   0.26700 -1.0 2.0
   40    43    48    53  -0.63300  1.0 3.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    45   0.00000  1.0 1.0
   41    40    43    48  -0.28300  1.0 1.0
   41    40    43    48   0.26700 -1.0 2.0
   41    40    43    48  -0.63300  1.0 3.0
   41    46   -50    33   0.65300  1.0 1.0
   41    46   -50    33  -0.03850 -1.0 2.0
   41    46   -50    33   0.33900  1.0 3.0
   41    46    50    51   0.00000  1.0 1.0
   41    46    50    52   0.00000  1.0 1.0
   42    41    46    47   0.00000  1.0 1.0
   42    41    46    50   0.04550  1.0 1.0
   42    41    46    50   0.83000 -1.0 2.0
   42    41    46    50  -0.04000  1.0 3.0
   47    46    50    33   0.30150 -1.0 2.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    52   0.00000  1.0 1.0
   50    33    38    39   0.30150 -1.0 2.0
   50    33   -38    40   0.65300  1.0 1.0
   50    33   -38    40  -0.03850 -1.0 2.0
   50    33   -38    40   0.33900  1.0 3.0
   43    40    41    42   7.00000 -1.0 2.0
   43    40    41    46   7.00000 -1.0 2.0
   43    48    53    54   7.00000 -1.0 2.0
   43    48    53    58   7.00000 -1.0 2.0
   44    43    48    49   0.33100  1.0 3.0
   44    43    48    53   0.00000  1.0 1.0
   45    43    48    49   0.33100  1.0 3.0
   45    43    48    53   0.00000  1.0 1.0
   48    53    54    55   0.00000  1.0 1.0
   48    53    54    56   0.00000  1.0 1.0
   48    53    54    57   0.00000  1.0 1.0
   48    53    58    59   0.00000  1.0 1.0
   48    53    58    60   0.00000  1.0 1.0
   48    53    58    61   0.00000  1.0 1.0
   49    48    53    54   7.00000 -1.0 2.0
   49    48    53    58   7.00000 -1.0 2.0
   54    53    58    59   0.34800  1.0 3.0
   54    53    58    60   0.34800  1.0 3.0
   54    53    58    61   0.34800  1.0 3.0
   58    53    54    55   0.34800  1.0 3.0
   58    53    54    56   0.34800  1.0 3.0
   58    53    54    57   0.34800  1.0 3.0
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    40    38    39  10.50000 -1.0 2.0
   38    43    40    41   1.10000 -1.0 2.0
   46    42    41    40   1.10000 -1.0 2.0
   41    50    46    47  10.50000 -1.0 2.0
   43    49    48    53  15.00000 -1.0 2.0
   54    58    53    48  15.00000 -1.0 2.0
END
