* LIGAND DATABASE FILE (OPLS2005)
*
001      60    60    104    141     291
    1     0 S   NP   _N1_     1    29.51861    99.07577   -18.00155
    2     1 S   H    _HN1     2     1.02712    63.59176  -110.27361
    3     1 S   H    _H1_     3     1.03629    49.12905    98.59971
    4     1 S   H    _H2_     4     1.03309   138.15470   161.20925
    5     1 S   CT   _CA1     5     1.49599   107.15282    -3.98256
    6     5 S   HC   _HA1     6     1.09542   105.43366   102.06259
    7     5 S   CO3  _C1_     7     1.54005   112.27000   -18.45745
    8     7 S   O2Z  _O11     8     1.26495   115.06231   -42.90229
    9     7 S   O2Z  _O12     9     1.26287   115.22885   137.16487
   10     5 S   CT   _CB1    10     1.53266   107.84703  -139.93640
   11    10 S   HC   HB11    11     1.09811   109.79710   -48.64709
   12    10 S   HC   HB12    12     1.09802   110.44232    68.07809
   13    10 S   CT   _CG1    13     1.52921   112.12836  -169.65278
   14    13 S   HC   HG11    14     1.09535   111.31949   -56.68146
   15    13 S   HC   HG12    15     1.09620   110.44816    62.03752
   16    13 S   C    _CD1    16     1.51331   111.48931  -176.20584
   17    16 S   O    _OE1    17     1.22901   121.62775    97.67019
   18    16 S   N    _N2_    18     1.38261   113.31443   -82.59477
   19    18 S   H    _HN2    19     1.01598   119.26227     6.97049
   20    18 S   CT1  _CA2    20     1.45904   122.44171  -176.98098
   21    20 S   HC   _HA2    21     1.09737   108.65144    24.11682
   22    20 S   C    _C2_    22     1.52829   107.44281   -93.27671
   23    22 S   O    _O2_    23     1.22937   122.87857   -27.70414
   24    20 S   CT   _CB2    32     1.53289   112.33699   146.50876
   25    24 S   HC   HB21    33     1.09369   109.69797    63.63944
   26    24 S   HC   HB22    34     1.09541   110.46969  -178.88425
   27    22 S   N    _N3_    24     1.38599   112.38520   155.25220
   28    27 S   H    _HN3    25     1.01496   119.74164     0.79278
   29    24 S   S    _SG2    35     1.82999   111.03645   -59.37862
   30    27 S   CT   _CA3    26     1.45454   122.86333   175.34268
   31    30 S   HC   HA31    27     1.09536   108.99550    29.56732
   32    30 S   HC   HA32    28     1.09480   107.17829   146.70159
   33    29 S   CT   _C9_    36     1.83407   100.25466   140.13309
   34    33 S   F    _F17    37     1.36602   107.82248    61.95160
   35    33 S   F    _F18    38     1.36611   107.68765   174.62976
   36    30 S   CO3  _C3_    29     1.53041   113.47890   -93.51252
   37    36 S   O2Z  _O31    30     1.26383   115.73560   -33.46401
   38    36 S   O2Z  _O32    31     1.26397   114.74859   147.42700
   39    33 S   CQ   _C7_    39     1.51070   112.27265   -62.66024
   40    39 S   NB   _N7_    40     1.34703   117.11770   116.92541
   41    40 S   CA   _C4_    41     1.34498   115.76280  -176.96249
   42    41 S   HA   _H22    42     1.08617   114.54037   179.13227
   43    41 S   CA   _C5_    43     1.38523   124.24201    -0.29342
   44    43 S   CA   _C6_    44     1.39289   115.92838     0.52897
   45    43 S   CT   _C8_    49     1.49640   120.32885   177.64723
   46    45 S   HC   _H23    50     1.09539   111.25219    19.67748
   47    45 S   HC   _H24    51     1.09547   110.77333   138.69569
   48    39 S   NB   _N8_    45     1.35274   117.99157   -61.19113
   49    44 S   NE   _N9_    46     1.38912   120.91412  -178.64781
   50    49 S   H    _H25    47     1.01428   120.05828   -27.87953
   51    49 S   H    _H26    48     1.01172   117.42637   178.72635
   52    45 S   OS   _O15    52     1.41967   107.68983   -99.00474
   53    52 S   P2   _P21    53     1.63337   118.88201  -149.79970
   54    53 S   O2Z  _O34    54     1.51378   107.12307   179.30226
   55    53 S   O2Z  _O14    55     1.51185   108.46936   -48.23651
   56    53 S   OS   _O16    56     1.62562    98.29678    66.41342
   57    56 S   P3   _P20    57     1.63923   132.43171  -177.25690
   58    57 S   O2Z  _O10    58     1.52530   104.64228   -57.63640
   59    57 S   O2Z  _O33    59     1.52500   103.15973  -176.97994
   60    57 S   O2Z  _O13    60     1.52310   104.74628    63.25118
  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   6   5   4   3
   7   4   3   2   1   1   7   6   9   3  10   8   9   3   2   3
   2   1   1   5   7   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    48  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    42    43    44    48    49  
   41    42    43    44    48    45  
   42    43    44    48    49    45    46    47    52  
   43    44    45  
   44    48    49    50    51    45    46    47    52    53  
   48    49    50    51    45    46    47    52  
   46    47    52    53    54    55    56    48    49  
   47    52    53  
   52    53  
   49    50    51  
   50    51  
   51  
    0  
   53    54    55    56    57  
   54    55    56    57    58    59    60  
   55    56    57  
   56    57  
   57    58    59    60  
   58    59    60  
   59    60  
   60  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   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   3.2500   0.0620   0.362500   2.4950   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0700   0.727000   2.0020   1.7750   0.001000000  -0.843144165
   40   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   41   3.5500   0.0700   0.653000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.011000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0700  -0.607000   2.0020   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700   0.864000   2.0020   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660   0.527800   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300  -0.130200   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300  -0.130200   1.4250   1.2500   0.008598240   0.268726247
   48   3.2500   0.1700  -0.839000   1.8000   1.6000   0.001000000  -0.511443539
   49   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   50   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   51   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   52   2.8500   0.1400  -0.562400   1.5900   1.4000   0.020110767  -0.896042159
   53   3.7400   0.2000   1.331700   2.1070   1.8700   0.005000000   0.000000000
   54   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   55   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   56   2.8500   0.1400  -0.494300   1.5900   1.4000   0.020110767  -0.896042159
   57   3.7400   0.2000   1.872500   2.1070   1.8700   0.005000000   0.000000000
   58   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   59   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   60   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   502.000  1.324
   39    48   502.000  1.324
   40    41   483.000  1.339
   41    42   367.000  1.080
   41    43   469.000  1.400
   43    44   469.000  1.400
   43    45   317.000  1.510
   44    48   483.000  1.339
   44    49   481.000  1.340
   49    50   434.000  1.010
   49    51   434.000  1.010
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    52   320.000  1.410
   52    53   230.000  1.697
   53    54   525.000  1.480
   53    55   525.000  1.480
   53    56   230.000  1.697
   56    57   230.000  1.630
   57    58   525.000  1.516
   57    59   525.000  1.516
   57    60   525.000  1.516
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    75.00000  115.74700
   33    39    48    75.00000  115.74700
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    70.00000  118.60000
   39    48    44    70.00000  118.60000
   40    41    42    35.00000  116.00000
   40    41    43    70.00000  124.00000
   41    43    44    63.00000  120.00000
   41    43    45    70.00000  120.00000
   43    41    42    35.00000  120.00000
   43    44    48    70.00000  124.00000
   43    44    49    70.00000  120.10000
   43    45    46    35.00000  109.50000
   43    45    47    35.00000  109.50000
   43    45    52    85.00000  111.85700
   44    49    50    35.00000  113.50000
   44    49    51    35.00000  113.50000
   48    39    40    70.00000  129.10000
   49    44    48    80.00000  117.25000
   51    49    50    35.00000  109.00000
   45    43    44    70.00000  120.00000
   45    52    53   100.00000  120.50000
   47    45    46    33.00000  107.80000
   52    45    46    35.00000  109.50000
   52    45    47    35.00000  109.50000
   52    53    54   100.00000  108.23000
   52    53    55   100.00000  108.23000
   52    53    56    45.00000  102.60000
   53    56    57    45.00000  143.19000
   55    53    54   140.00000  119.90000
   56    53    54   100.00000  108.23000
   56    53    55   100.00000  108.23000
   56    57    58   100.00000  107.00000
   56    57    59   100.00000  107.00000
   56    57    60   100.00000  107.00000
   59    57    58   140.00000  114.00000
   60    57    58   140.00000  114.00000
   60    57    59   140.00000  114.00000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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    39    40   0.04300 -1.0 2.0
   29    33    39    48   0.04300 -1.0 2.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    48    44   3.62500 -1.0 2.0
   34    33    39    40   0.21350  1.0 3.0
   34    33    39    48   0.21350  1.0 3.0
   35    33    39    40   0.21350  1.0 3.0
   35    33    39    48   0.21350  1.0 3.0
   39    40    41    42   3.62500 -1.0 2.0
   39    40    41    43   3.62500 -1.0 2.0
   40    39    48    44   3.62500 -1.0 2.0
   40    41   -43    44   3.62500 -1.0 2.0
   40    41    43    45   3.62500 -1.0 2.0
   41    43    44    48   3.62500 -1.0 2.0
   41    43    44    49   3.62500 -1.0 2.0
   41    43    45    46   0.00000  1.0 1.0
   41    43    45    47   0.00000  1.0 1.0
   41    43    45    52   0.64500  1.0 1.0
   41    43    45    52   0.14800 -1.0 2.0
   41    43    45    52   0.20650  1.0 3.0
   42    41    43    44   3.62500 -1.0 2.0
   42    41    43    45   3.62500 -1.0 2.0
   43    44   -48    39   3.62500 -1.0 2.0
   43    44    49    50   1.00000 -1.0 2.0
   43    44    49    51   1.00000 -1.0 2.0
   43    45    52    53  -3.16900  1.0 1.0
   43    45    52    53  -1.64300 -1.0 2.0
   43    45    52    53  -0.06350  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.00000  1.0 1.0
   44    43    45    52   0.64500  1.0 1.0
   44    43    45    52   0.14800 -1.0 2.0
   44    43    45    52   0.20650  1.0 3.0
   48    39   -40    41   3.62500 -1.0 2.0
   48    44    49    50   1.75000 -1.0 2.0
   48    44    49    51   1.75000 -1.0 2.0
   49    44    48    39   3.62500 -1.0 2.0
   45    43    44    48   3.62500 -1.0 2.0
   45    43    44    49   3.62500 -1.0 2.0
   45    52    53    54   0.00000  1.0 1.0
   45    52    53    55   0.00000  1.0 1.0
   45    52    53    56   0.05050  1.0 1.0
   45    52    53    56  -1.30700 -1.0 2.0
   45    52    53    56   0.91550  1.0 3.0
   46    45    52    53   0.03000  1.0 3.0
   47    45    52    53   0.03000  1.0 3.0
   52    53    56    57   0.15000  1.0 3.0
   53    56    57    58   0.50000  1.0 3.0
   53    56    57    59   0.50000  1.0 3.0
   53    56    57    60   0.50000  1.0 3.0
   54    53    56    57   0.50000  1.0 3.0
   55    53    56    57   0.50000  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
   38    30    36    37  10.50000 -1.0 2.0
   40    48    39    33   4.00000 -1.0 2.0
   43    42    41    40   1.10000 -1.0 2.0
   44    45    43    41   4.00000 -1.0 2.0
   48    49    44    43   4.00000 -1.0 2.0
   51    44    49    50   1.00000 -1.0 2.0
END
