* LIGAND DATABASE FILE (OPLS2005)
*
001      61    63    110    180     326
    1     0 S   NP   _N1_     1    28.89815    95.29031   -21.52580
    2     1 S   H    _HN1     2     1.02777    94.54628   -79.08780
    3     1 S   H    _H1_     3     1.02953    81.13898    28.85443
    4     1 S   H    _H2_     4     1.02828    35.28281   165.95004
    5     1 S   CT   _CA1     5     1.50160   144.14063   141.51631
    6     5 S   HC   _HA1     6     1.09569   105.15451    73.99467
    7     5 S   CO3  _C1_     7     1.53788   112.53565   -46.10136
    8     7 S   O2Z  _O11     8     1.26384   115.01827   -37.40572
    9     7 S   O2Z  _O12     9     1.26252   115.01112   141.72671
   10     5 S   CT   _CB1    10     1.53096   107.39794  -167.97100
   11    10 S   HC   HB11    11     1.09824   109.35562   -48.39813
   12    10 S   HC   HB12    12     1.09819   110.39087    68.21766
   13    10 S   CT   _CG1    13     1.52982   112.71445  -169.42054
   14    13 S   HC   HG11    14     1.09502   110.49893   -65.36941
   15    13 S   HC   HG12    15     1.09664   109.92101    53.82473
   16    13 S   C    _CD1    16     1.51813   112.37029   174.11693
   17    16 S   O    _OE1    17     1.22722   123.30465     0.59215
   18    16 S   N    _N2_    18     1.38648   111.61982  -179.19303
   19    18 S   H    _HN2    19     1.01592   118.92200     1.03533
   20    18 S   CT1  _CA2    20     1.46253   123.39415   178.32602
   21    20 S   HC   _HA2    21     1.09736   109.36924    -7.65186
   22    20 S   C    _C2_    22     1.53414   108.31934  -123.08226
   23    22 S   O    _O2_    23     1.23025   122.38425  -147.65526
   24    20 S   CT   _CB2    32     1.53296   111.49867   114.50233
   25    24 S   HC   HB21    33     1.09498   110.01875    56.68796
   26    24 S   HC   HB22    34     1.09523   110.60378   174.84151
   27    22 S   N    _N3_    24     1.38363   113.46095    39.78947
   28    27 S   H    _HN3    25     1.01637   119.48580    -3.57391
   29    24 S   S    _SG2    35     1.82831   111.36362   -66.34471
   30    27 S   CT   _CA3    26     1.45290   123.17832   176.99671
   31    30 S   HC   HA31    27     1.09550   107.51841   -64.03011
   32    30 S   HC   HA32    28     1.09556   107.96494    52.39364
   33    29 S   CT   _C16    36     1.83821   100.08362   141.29371
   34    33 S   HC   _H3_    37     1.09653   108.08548    46.63019
   35    30 S   CO3  _C3_    29     1.52947   114.09413   174.36049
   36    35 S   O2Z  _O31    30     1.26372   116.03737    -1.40123
   37    35 S   O2Z  _O32    31     1.26425   114.42227   178.67013
   38    33 S   CM   _C15    38     1.50408   107.30379   162.58208
   39    38 S   HC   _H12    39     1.08709   117.75018   -83.01544
   40    38 S   CM   _C14    40     1.34092   123.16544    98.15644
   41    40 S   HC   _H11    41     1.08278   118.86435   178.51853
   42    40 S   CA   _C13    42     1.47684   121.48961    -2.45941
   43    42 S   CA   _C7_    43     1.42916   122.45864  -164.38541
   44    42 S   CA   _C12    57     1.41409   117.48973    16.14756
   45    43 S   CA   _C6_    44     1.41799   124.63030     1.84653
   46    45 S   HA   _H7_    45     1.08662   121.16323     0.19584
   47    33 S   CT   _C17    58     1.54376   112.08628   -74.65098
   48    47 S   HC   _H4_    59     1.09603   110.74445    41.21119
   49    45 S   CA   _C5_    46     1.39756   122.04113   179.70658
   50    49 S   HA   _H6_    47     1.08624   119.91712  -179.95154
   51    47 S   OH   _O33    60     1.43212   109.24189   157.95311
   52    51 S   HO   _H13    61     0.97218   107.57806   -62.01063
   53    49 S   CA   _C4_    48     1.38666   119.99489    -0.16313
   54    53 S   HA   _H5_    49     1.08583   120.26491  -179.84677
   55    53 S   CA   _C9_    50     1.39179   119.61194    -0.05234
   56    55 S   HA   _H8_    51     1.08878   118.51569  -179.62258
   57    43 S   CA   _C8_    52     1.42000   118.53833  -178.75809
   58    57 S   CA   _C10    53     1.39928   120.14293     0.25488
   59    58 S   HA   _H9_    54     1.08861   120.60241   179.60534
   60    58 S   CA   _C11    55     1.38990   120.94961    -0.59017
   61    60 S   HA   _H10    56     1.08728   119.07325   179.90935
  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
  12   7   2   1   1   9   4   8   3  13  13  10   8   4   6   3
   6   3   2   1   5   3   5   2   4   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    47    48    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    60    44    47    48    51    52  
   38    39    40    44    47    48    51  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47    48    51  
   40    41    42    47  
   41    42    43    45    57    60    44    47  
   42    43    44  
   43    45    46    49    55    57    58    60    61    44    47    48    51  
   45    46    49    50    53    55    56    57    58    59    60    44    47  
   47    48    51    52    45    57    58    59    60    61  
   46    49    50    53    54    55    57    58  
   49    50    53    57  
   48    51    52    58    60    61  
   51    52    60  
   50    53    54    55    56    57  
   53    54    55  
   52    60  
    0  
   54    55    56    57    58  
   55    56    57  
   56    57    58    59    60  
   57    58  
   58    59    60    61  
   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   2.5000   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    47   268.000  1.529
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   340.000  1.080
   40    42   320.000  1.460
   42    43   469.000  1.400
   42    44   469.000  1.400
   43    45   469.000  1.400
   43    57   469.000  1.400
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    54   367.000  1.080
   53    55   469.000  1.400
   55    56   367.000  1.080
   55    57   469.000  1.400
   57    58   469.000  1.400
   58    59   367.000  1.080
   58    60   469.000  1.400
   60    61   367.000  1.080
   60    44   469.000  1.400
   44    47   317.000  1.510
   47    48   340.000  1.090
   47    51   320.000  1.410
   51    52   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    47    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    47    44    70.00000  112.17500
   33    47    48    37.50000  110.70000
   33    47    51    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    42    60.00000  123.20500
   40    38    39    35.00000  120.00000
   40    42    43    60.00000  120.93500
   40    42    44    60.00000  120.93500
   42    40    41    40.00000  117.26300
   42    43    45    63.00000  120.00000
   42    43    57    63.00000  120.00000
   42    44    60    63.00000  120.00000
   42    44    47    70.00000  120.00000
   43    45    46    35.00000  120.00000
   43    45    49    63.00000  120.00000
   43    57    55    63.00000  120.00000
   43    57    58    63.00000  120.00000
   45    49    50    35.00000  120.00000
   45    49    53    63.00000  120.00000
   49    45    46    35.00000  120.00000
   49    53    54    35.00000  120.00000
   49    53    55    63.00000  120.00000
   53    49    50    35.00000  120.00000
   53    55    56    35.00000  120.00000
   53    55    57    63.00000  120.00000
   55    53    54    35.00000  120.00000
   55    57    58    63.00000  120.00000
   57    43    45    63.00000  120.00000
   57    55    56    35.00000  120.00000
   57    58    59    35.00000  120.00000
   57    58    60    63.00000  120.00000
   58    60    61    35.00000  120.00000
   58    60    44    63.00000  120.00000
   60    58    59    35.00000  120.00000
   60    44    47    70.00000  120.00000
   44    42    43    63.00000  120.00000
   44    60    61    35.00000  120.00000
   44    47    48    35.00000  109.50000
   44    47    51    90.00000  112.51600
   47    33    34    37.50000  110.70000
   47    33    38    70.00000  112.02700
   47    51    52    55.00000  108.50000
   51    47    48    35.00000  109.50000
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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    47    44   0.56750  1.0 1.0
   29    33    47    44  -0.07550 -1.0 2.0
   29    33    47    44   0.20000  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    51   0.56750  1.0 1.0
   29    33    47    51  -0.07550 -1.0 2.0
   29    33    47    51   0.20000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    47    51    52  -0.11600  1.0 1.0
   33    47    51    52  -0.09450 -1.0 2.0
   33    47    51    52   0.21250  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    44   0.43200  1.0 3.0
   34    33    47    48   0.15000  1.0 3.0
   34    33    47    51   0.23400  1.0 3.0
   38    33    47    44   0.21200  1.0 1.0
   38    33    47    44   0.16900 -1.0 2.0
   38    33    47    44  -1.15100  1.0 3.0
   38    33    47    48   0.15000  1.0 3.0
   38    33    47    51   1.05650  1.0 1.0
   38    33    47    51   0.15600 -1.0 2.0
   38    33    47    51   0.53150  1.0 3.0
   38    40    42    43   0.15800  1.0 1.0
   38    40    42    43   1.85350 -1.0 2.0
   38    40    42    43  -0.48700  1.0 3.0
   38    40   -42    44   0.15800  1.0 1.0
   38    40   -42    44   1.85350 -1.0 2.0
   38    40   -42    44  -0.48700  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    45   3.62500 -1.0 2.0
   40    42    43    57   3.62500 -1.0 2.0
   40    42    44    60   3.62500 -1.0 2.0
   40    42    44    47   3.62500 -1.0 2.0
   41    40    42    43   0.56550  1.0 3.0
   41    40    42    44   0.56550  1.0 3.0
   42    43    45    46   3.62500 -1.0 2.0
   42    43    45    49   3.62500 -1.0 2.0
   42    43    57    55   3.62500 -1.0 2.0
   42    43    57    58   3.62500 -1.0 2.0
   42    44   -47    33   0.04150 -1.0 2.0
   42    44    47    48   0.00000  1.0 1.0
   42    44    47    51   0.14300 -1.0 2.0
   42    44    47    51   0.00300  1.0 3.0
   43    42    44    60   3.62500 -1.0 2.0
   43    42    44    47   3.62500 -1.0 2.0
   43    45    49    50   3.62500 -1.0 2.0
   43    45    49    53   3.62500 -1.0 2.0
   43    57    58    59   3.62500 -1.0 2.0
   43    57   -58    60   3.62500 -1.0 2.0
   45    43    57    55   3.62500 -1.0 2.0
   45    43    57    58   3.62500 -1.0 2.0
   45    49    53    54   3.62500 -1.0 2.0
   45    49   -53    55   3.62500 -1.0 2.0
   46    45    49    50   3.62500 -1.0 2.0
   46    45    49    53   3.62500 -1.0 2.0
   49    53    55    56   3.62500 -1.0 2.0
   49    53    55    57   3.62500 -1.0 2.0
   50    49    53    54   3.62500 -1.0 2.0
   50    49    53    55   3.62500 -1.0 2.0
   53    55   -57    43   3.62500 -1.0 2.0
   53    55    57    58   3.62500 -1.0 2.0
   54    53    55    56   3.62500 -1.0 2.0
   54    53    55    57   3.62500 -1.0 2.0
   55    57    58    59   3.62500 -1.0 2.0
   55    57    58    60   3.62500 -1.0 2.0
   56    55    57    43   3.62500 -1.0 2.0
   56    55    57    58   3.62500 -1.0 2.0
   57    43    45    46   3.62500 -1.0 2.0
   57    43   -45    49   3.62500 -1.0 2.0
   57    58    60    61   3.62500 -1.0 2.0
   57    58    60    44   3.62500 -1.0 2.0
   58    60   -44    42   3.62500 -1.0 2.0
   58    60    44    47   3.62500 -1.0 2.0
   59    58    60    61   3.62500 -1.0 2.0
   59    58    60    44   3.62500 -1.0 2.0
   60    44    47    33   0.04150 -1.0 2.0
   60    44    47    48   0.00000  1.0 1.0
   60    44    47    51   0.14300 -1.0 2.0
   60    44    47    51   0.00300  1.0 3.0
   61    60    44    42   3.62500 -1.0 2.0
   61    60    44    47   3.62500 -1.0 2.0
   44    42    43    45   3.62500 -1.0 2.0
   44    42   -43    57   3.62500 -1.0 2.0
   44    47    51    52   0.31900  1.0 1.0
   44    47    51    52  -0.11800 -1.0 2.0
   44    47    51    52   0.38750  1.0 3.0
   47    33    38    39   0.00000  1.0 1.0
   47    33   -38    40   0.09850  1.0 1.0
   47    33   -38    40   0.15250 -1.0 2.0
   47    33   -38    40  -0.50650  1.0 3.0
   48    47    51    52   0.19450  1.0 3.0
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    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   43    44    42    40   4.00000 -1.0 2.0
   45    57    43    42   4.00000 -1.0 2.0
   49    46    45    43   1.10000 -1.0 2.0
   53    50    49    45   1.10000 -1.0 2.0
   55    54    53    49   1.10000 -1.0 2.0
   57    56    55    53   1.10000 -1.0 2.0
   55    58    57    43   4.00000 -1.0 2.0
   60    59    58    57   1.10000 -1.0 2.0
   44    61    60    58   1.10000 -1.0 2.0
   60    47    44    42   4.00000 -1.0 2.0
END
