* LIGAND DATABASE FILE (OPLS2005)
*
001      70    70    125    184     366
    1     0 S   NP   _N1_     1    28.83370    96.39441   -23.65679
    2     1 S   H    _HN1     2     1.02788   108.50229   -93.16687
    3     1 S   H    _H1_     3     1.02948    70.30678    10.32039
    4     1 S   H    _H2_     4     1.02828    38.75025   171.06365
    5     1 S   CT   _CA1     5     1.50111   136.08565   109.66373
    6     5 S   HC   _HA1     6     1.09572   105.18753    95.23719
    7     5 S   CO3  _C1_     7     1.53786   112.49679   -25.00126
    8     7 S   O2Z  _O11     8     1.26373   115.00646   -41.82902
    9     7 S   O2Z  _O12     9     1.26240   114.95015   137.31412
   10     5 S   CT   _CB1    10     1.53078   107.42226  -146.75886
   11    10 S   HC   HB11    11     1.09835   109.37114   -49.49189
   12    10 S   HC   HB12    12     1.09812   110.44665    67.11842
   13    10 S   CT   _CG1    13     1.52996   112.61382  -170.45392
   14    13 S   HC   HG11    14     1.09576   110.66428   -66.09123
   15    13 S   HC   HG12    15     1.09671   109.75387    53.14628
   16    13 S   C    _CD1    16     1.51799   112.18144   173.62213
   17    16 S   O    _OE1    17     1.22733   123.26682     8.58613
   18    16 S   N    _N2_    18     1.38656   111.71163  -171.52757
   19    18 S   H    _HN2    19     1.01579   118.92235     1.77067
   20    18 S   CT1  _CA2    20     1.46199   123.39416   177.09404
   21    20 S   HC   _HA2    21     1.09741   109.34131     4.40851
   22    20 S   C    _C2_    22     1.53576   108.65523  -111.06333
   23    22 S   O    _O2_    23     1.23060   122.27239  -147.72934
   24    20 S   CT   _CB2    32     1.53271   111.61495   126.41280
   25    24 S   HC   HB21    33     1.09592   110.33845    56.09153
   26    24 S   HC   HB22    34     1.09529   110.18500   175.31270
   27    22 S   N    _N3_    24     1.38321   113.74098    39.72576
   28    27 S   H    _HN3    25     1.01571   119.62617    -3.28229
   29    24 S   S    _SG2    35     1.82542   111.67619   -64.90007
   30    27 S   CT   _CA3    26     1.45286   123.23073   177.14865
   31    30 S   HC   HA31    27     1.09549   107.50994   -64.63768
   32    30 S   HC   HA32    28     1.09555   107.99318    51.81122
   33    29 S   CT   _C13    36     1.82895    98.58193  -179.79923
   34    33 S   HC   _H13    37     1.09497   107.33609   -65.12204
   35    33 S   HC   _H14    38     1.09463   108.53897    52.25886
   36    30 S   CO3  _C3_    29     1.52965   114.05721   173.80258
   37    36 S   O2Z  _O31    30     1.26379   116.06869    -0.83463
   38    36 S   O2Z  _O32    31     1.26425   114.41452   179.22545
   39    33 S   CT   _C12    39     1.53053   112.26815   174.48708
   40    39 S   HC   _H7_    40     1.09594   109.36890  -179.60386
   41    39 S   CO4  _C11    41     1.52102   113.38356   -60.28664
   42    41 S   O    _O38    42     1.22390   124.45504   122.15576
   43    39 S   OH   _O39    69     1.42085   110.26796    63.93505
   44    43 S   HO   _H15    70     0.97361   107.34937   -59.86286
   45    41 S   OS   _O37    43     1.36348   109.60575   -58.38922
   46    45 S   CT   _C9_    44     1.44318   117.46234   176.36218
   47    46 S   HC   _H5_    45     1.09899   109.04844    41.74755
   48    46 S   CT   _C8_    46     1.53629   107.97352   159.22717
   49    48 S   F    F1__    47     1.36520   108.95355    48.99639
   50    48 S   HC   _H4_    48     1.09569   108.32556   -66.60741
   51    48 S   CM   _C7_    49     1.50600   112.29039   170.25123
   52    51 S   CM   _C6_    50     1.34503   121.73739   -18.55722
   53    52 S   HC   _H11    51     1.08757   120.46123   178.71869
   54    51 S   CO3  _C14    66     1.54877   117.93252   160.50741
   55    54 S   O2Z  _O41    67     1.26434   116.41804  -168.95636
   56    54 S   O2Z  _O40    68     1.26571   115.10563    10.75371
   57    52 S   CT   _C5_    52     1.50730   124.27048    -1.84991
   58    57 S   HC   _H3_    53     1.09602   107.92995  -130.12867
   59    46 S   CT   _C10    54     1.53696   110.69939   -78.96426
   60    59 S   HC   _H6_    55     1.09544   109.44971    58.98669
   61    57 S   OS   _O35    58     1.42674   107.05129   111.12517
   62    59 S   OH   _O36    56     1.42947   109.76310   -57.59558
   63    62 S   HO   _H12    57     0.97236   107.57468   178.00002
   64    61 S   P2   _P1_    59     1.63187   120.49539   117.33292
   65    64 S   O2Z  _O34    60     1.51180   110.12913   -42.10876
   66    64 S   O2Z  _O33    61     1.51203   108.64439  -177.41268
   67    64 S   CT   _C4_    62     1.81593    99.85924    70.91588
   68    67 S   HC   _H8_    63     1.09340   110.09103    57.22687
   69    67 S   HC   _H9_    64     1.09338   109.49961   176.80377
   70    67 S   HC   _H10    65     1.09294   110.88163   -63.43146
  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   7   5   4   3
   9   5   4   2   1   1   7   5   8   3   2   1  10  14   8  12
   5   4   9  11   5   3   1   1  10   5   5   3   8   1   1   6
   5   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    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    43    44  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    45    46    43    44  
   41    42    45    43    44  
   42    45    46    47    48    59    43    44  
   45    46    43  
   44    45  
    0  
   46    47    48    49    50    51    57    59    60    62  
   47    48    49    50    51    52    57    58    59    60    62    63    61    54  
   48    49    50    51    57    59    60    62  
   49    50    51    52    53    57    59    60    62    54    55    56  
   50    51    52    59    54  
   51    52    59    54  
   52    53    57    58    59    61    54    55    56  
   53    57    58    59    60    62    61    64    54    55    56  
   57    58    59    61    54  
   55    56    57  
   56  
    0  
   58    59    60    62    63    61    64    65    66    67  
   59    60    62    61    64  
   60    62    63    61    64  
   62    63    61  
   64    65    66    67    68    69    70    62  
   63  
    0  
   65    66    67    68    69    70  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70  
   69    70  
   70  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660   0.267600   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.104900   1.9750   1.7500   0.005000000  -0.741685710
   49   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   50   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.342800   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   57   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.7400   0.2000   1.620000   2.1070   1.8700   0.005000000   0.000000000
   65   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   66   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.510000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.080000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.080000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.080000   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    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   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    43   320.000  1.410
   41    42   570.000  1.229
   41    45   214.000  1.327
   45    46   320.000  1.410
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    59   268.000  1.529
   48    49   367.000  1.332
   48    50   340.000  1.090
   48    51   317.000  1.510
   51    52   549.000  1.340
   51    54   230.000  1.545
   52    53   340.000  1.080
   52    57   317.000  1.510
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    61   320.000  1.410
   59    60   340.000  1.090
   59    62   320.000  1.410
   62    63   553.000  0.945
   61    64   230.000  1.697
   64    65   525.000  1.480
   64    66   525.000  1.480
   64    67   185.000  1.874
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   54    55   656.000  1.250
   54    56   656.000  1.250
   43    44   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    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    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    43    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    45    81.00000  111.40000
   39    43    44    55.00000  108.50000
   41    39    40    35.00000  109.50000
   41    45    46    83.00000  116.90000
   45    41    42    83.00000  123.40000
   45    46    47    35.00000  109.50000
   45    46    48    50.00000  109.50000
   45    46    59    50.00000  109.50000
   46    48    49    50.00000  109.50000
   46    48    50    37.50000  110.70000
   46    48    51    70.00000  112.02700
   46    59    57    58.35000  112.70000
   46    59    60    37.50000  110.70000
   46    59    62    50.00000  109.50000
   48    46    47    37.50000  110.70000
   48    51    52    70.00000  124.00000
   48    51    54    65.00000  117.04000
   50    48    49    40.00000  107.00000
   51    48    49    85.00000  110.69400
   51    48    50    35.00000  109.50000
   51    52    53    35.00000  120.00000
   51    52    57    70.00000  124.00000
   51    54    55    85.00000  113.83300
   51    54    56    85.00000  113.83300
   52    57    58    35.00000  109.50000
   52    57    59    70.00000  112.02700
   52    57    61    85.00000  110.90400
   57    52    53    35.00000  117.00000
   57    59    60    37.50000  110.70000
   57    59    62    50.00000  109.50000
   57    61    64   100.00000  120.50000
   59    46    47    37.50000  110.70000
   59    46    48    58.35000  112.70000
   59    57    58    37.50000  110.70000
   59    62    63    55.00000  108.50000
   62    59    60    35.00000  109.50000
   61    57    58    35.00000  109.50000
   61    57    59    50.00000  109.50000
   61    64    65   100.00000  108.23000
   61    64    66   100.00000  108.23000
   61    64    67   100.00000   97.56000
   64    67    68    35.00000  111.47000
   64    67    69    35.00000  111.47000
   64    67    70    35.00000  111.47000
   66    64    65   140.00000  119.90000
   67    64    65    85.00000  108.79900
   67    64    66    85.00000  108.79900
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   54    51    52    55.00000  124.75400
   56    54    55    80.00000  126.00000
   43    39    40    35.00000  109.50000
   43    39    41    90.00000  109.61100
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   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    45   0.36750  1.0 3.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    43   0.23400  1.0 3.0
   39    41    45    46   1.63150  1.0 1.0
   39    41    45    46   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    45   0.00000  1.0 1.0
   40    39    43    44   0.19450  1.0 3.0
   41    39    43    44   0.91850  1.0 1.0
   41    39    43    44   0.57950  1.0 3.0
   41    45    46    47   0.08050  1.0 3.0
   41    45    46    48  -0.25900  1.0 1.0
   41    45    46    48  -0.47000 -1.0 2.0
   41    45    46    48   0.11750  1.0 3.0
   41    45    46    59  -0.25900  1.0 1.0
   41    45    46    59  -0.47000 -1.0 2.0
   41    45    46    59   0.11750  1.0 3.0
   42    41    45    46   3.00000 -1.0 2.0
   45    46    48    49   0.51850  1.0 1.0
   45    46    48    49  -0.72850 -1.0 2.0
   45    46    48    50   0.23400  1.0 3.0
   45    46    48    51   0.61850  1.0 1.0
   45    46    48    51  -0.22750 -1.0 2.0
   45    46    48    51   0.15300  1.0 3.0
   45    46    59    57   0.62750  1.0 1.0
   45    46    59    57  -0.30950 -1.0 2.0
   45    46    59    57   0.27300  1.0 3.0
   45    46    59    60   0.23400  1.0 3.0
   45    46    59    62   3.69350  1.0 1.0
   45    46    59    62  -1.82950 -1.0 2.0
   46    48    51    52   0.09850  1.0 1.0
   46    48    51    52   0.15250 -1.0 2.0
   46    48    51    52  -0.50650  1.0 3.0
   46    48    51    54   0.09700  1.0 1.0
   46    48    51    54   0.15600 -1.0 2.0
   46    48    51    54  -0.50800  1.0 3.0
   46    59    62    63  -0.11600  1.0 1.0
   46    59    62    63  -0.09450 -1.0 2.0
   46    59    62    63   0.21250  1.0 3.0
   47    46    48    49   0.22100  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    51   0.15000  1.0 3.0
   47    46    59    57   0.15000  1.0 3.0
   47    46    59    60   0.15000  1.0 3.0
   47    46    59    62   0.23400  1.0 3.0
   48    46    59    57   0.56750  1.0 1.0
   48    46    59    57  -0.07550 -1.0 2.0
   48    46    59    57   0.20000  1.0 3.0
   48    46    59    60   0.15000  1.0 3.0
   48    46    59    62   0.86500  1.0 1.0
   48    46    59    62  -0.17500 -1.0 2.0
   48    46    59    62   0.20800  1.0 3.0
   48    51    52    53   7.00000 -1.0 2.0
   48    51   -52    57   7.00000 -1.0 2.0
   48    51    54    55  -0.64400  1.0 1.0
   48    51    54    55   0.26850 -1.0 2.0
   48    51    54    56  -0.64400  1.0 1.0
   48    51    54    56   0.26850 -1.0 2.0
   49    48    51    52   0.24700  1.0 1.0
   49    48    51    52   0.40650 -1.0 2.0
   49    48    51    52  -0.40300  1.0 3.0
   49    48    51    54   0.09700  1.0 1.0
   49    48    51    54   0.15600 -1.0 2.0
   49    48    51    54  -0.50800  1.0 3.0
   50    48    51    52   0.00000  1.0 1.0
   50    48    51    54   0.15000  1.0 3.0
   51    52    57    58   0.00000  1.0 1.0
   51    52    57    59   0.09850  1.0 1.0
   51    52    57    59   0.15250 -1.0 2.0
   51    52    57    59  -0.50650  1.0 3.0
   51    52    57    61   0.39000  1.0 1.0
   51    52    57    61  -0.05800 -1.0 2.0
   51    52    57    61  -0.55150  1.0 3.0
   52    51    54    55  -0.04000 -1.0 2.0
   52    51    54    55  -0.29050  1.0 3.0
   52    51    54    56  -0.04000 -1.0 2.0
   52    51    54    56  -0.29050  1.0 3.0
   52    57   -59    46   0.34400  1.0 1.0
   52    57   -59    46   0.09450 -1.0 2.0
   52    57   -59    46   0.11100  1.0 3.0
   52    57    59    60   0.15000  1.0 3.0
   52    57    59    62   1.05650  1.0 1.0
   52    57    59    62   0.15600 -1.0 2.0
   52    57    59    62   0.53150  1.0 3.0
   52    57    61    64   0.37500  1.0 3.0
   53    52    57    58   0.33100  1.0 3.0
   53    52    57    59   0.00000  1.0 1.0
   53    52    57    61   0.00000  1.0 1.0
   57    59    62    63  -0.11600  1.0 1.0
   57    59    62    63  -0.09450 -1.0 2.0
   57    59    62    63   0.21250  1.0 3.0
   57    61    64    65   0.00000  1.0 1.0
   57    61    64    66   0.00000  1.0 1.0
   57    61    64    67   0.19950  1.0 1.0
   57    61    64    67  -1.11250 -1.0 2.0
   57    61    64    67   0.35000  1.0 3.0
   58    57    59    46   0.15000  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    62   0.23400  1.0 3.0
   58    57    61    64   0.03000  1.0 3.0
   59    46    48    49   0.39650  1.0 1.0
   59    46    48    49  -0.18350 -1.0 2.0
   59    46    48    49   0.41450  1.0 3.0
   59    46    48    50   0.15000  1.0 3.0
   59    46   -48    51   0.34400  1.0 1.0
   59    46   -48    51   0.09450 -1.0 2.0
   59    46   -48    51   0.11100  1.0 3.0
   59    57    61    64  -2.65550  1.0 1.0
   59    57    61    64  -0.22350 -1.0 2.0
   59    57    61    64   0.24150  1.0 3.0
   60    59    62    63   0.19450  1.0 3.0
   61    57    59    46   0.62750  1.0 1.0
   61    57    59    46  -0.30950 -1.0 2.0
   61    57    59    46   0.27300  1.0 3.0
   61    57    59    60   0.23400  1.0 3.0
   61    57    59    62   3.69350  1.0 1.0
   61    57    59    62  -1.82950 -1.0 2.0
   61    64    67    68   0.07150  1.0 3.0
   61    64    67    69   0.07150  1.0 3.0
   61    64    67    70   0.07150  1.0 3.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    69   0.00000  1.0 1.0
   65    64    67    70   0.00000  1.0 1.0
   66    64    67    68   0.00000  1.0 1.0
   66    64    67    69   0.00000  1.0 1.0
   66    64    67    70   0.00000  1.0 1.0
   54    51    52    53   7.00000 -1.0 2.0
   54    51    52    57   7.00000 -1.0 2.0
   43    39    41    42   0.30150 -1.0 2.0
   43    39    41    45   0.30750  1.0 1.0
   43    39    41    45   1.13850 -1.0 2.0
   43    39    41    45   0.38850  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
   37    30    36    38  10.50000 -1.0 2.0
   39    45    41    42  10.50000 -1.0 2.0
   48    54    51    52   1.10000 -1.0 2.0
   57    53    52    51   1.10000 -1.0 2.0
   55    51    54    56  10.50000 -1.0 2.0
END
