* LIGAND DATABASE FILE (OPLS2005)
*
001      63    63    113    176     338
    1     0 S   NP   _N1_     1    28.87917    96.15869   -24.74053
    2     1 S   H    _HN1     2     1.02947    73.19550    -0.22468
    3     1 S   H    _H1_     3     1.02826    34.04933   174.25850
    4     1 S   H    _H2_     4     1.02797   116.42987  -102.79956
    5     1 S   CT   _CA1     5     1.50129   126.93917   102.99610
    6     5 S   HC   _HA1     6     1.09572   105.16091    93.81908
    7     5 S   CO3  _C1_     7     1.53751   112.47407   -26.41889
    8     7 S   O2Z  _O11     8     1.26376   115.00496   -42.31029
    9     7 S   O2Z  _O12     9     1.26226   114.93151   136.70050
   10     5 S   CT   _CB1    10     1.53045   107.40599  -148.18601
   11    10 S   HC   HB11    11     1.09847   109.32117   -49.12240
   12    10 S   HC   HB12    12     1.09812   110.46792    67.44908
   13    10 S   CT   _CG1    13     1.53052   112.68958  -170.04193
   14    13 S   HC   HG11    14     1.09562   110.79914   -67.87756
   15    13 S   HC   HG12    15     1.09664   109.67119    51.40903
   16    13 S   C    _CD1    16     1.51809   111.79341   171.93725
   17    16 S   O    _OE1    17     1.22770   123.09097    15.27659
   18    16 S   N    _N2_    18     1.38651   111.98653  -164.77933
   19    18 S   H    _HN2    19     1.01578   119.01364     0.98198
   20    18 S   CT1  _CA2    20     1.46212   123.24104   175.91755
   21    20 S   HC   _HA2    21     1.09738   109.27178     7.90063
   22    20 S   C    _C2_    22     1.53685   108.80827  -107.59138
   23    22 S   O    _O2_    23     1.23081   122.20864  -148.44376
   24    20 S   CT   _CB2    32     1.53292   111.81221   129.88713
   25    24 S   HC   HB21    33     1.09599   110.20949    57.18190
   26    24 S   HC   HB22    34     1.09483   109.98585   176.19821
   27    22 S   N    _N3_    24     1.38299   113.87645    38.98734
   28    27 S   H    _HN3    25     1.01539   119.63791    -2.98950
   29    24 S   S    _SG2    35     1.82676   111.71460   -63.54990
   30    27 S   CT   _CA3    26     1.45286   123.32404   177.31234
   31    30 S   HC   HA31    27     1.09546   107.49640   -65.35352
   32    30 S   HC   HA32    28     1.09554   108.02617    51.12242
   33    29 S   CT   _C6_    36     1.84369    99.32231  -177.34679
   34    33 S   HC   _H3_    37     1.09592   107.97537   -31.28769
   35    30 S   CO3  _C3_    29     1.52990   114.00514   173.13147
   36    35 S   O2Z  _O31    30     1.26391   116.06806    -0.58316
   37    35 S   O2Z  _O32    31     1.26422   114.42468   179.47961
   38    33 S   CM   _C5_    38     1.50362   107.59142    85.82377
   39    38 S   HC   _H8_    39     1.08708   117.86040   -75.65680
   40    38 S   CM   _C4_    40     1.34001   123.34959   105.47611
   41    40 S   HC   _H7_    41     1.08684   118.65873   178.52038
   42    40 S   CT   _C9_    42     1.50240   123.90402    -1.12796
   43    42 S   HC   _H6_    43     1.09721   107.91037   116.73559
   44    42 S   CT   _C8_    44     1.54263   114.24670    -7.32729
   45    44 S   HC   _H5_    45     1.09873   110.36015   -87.27138
   46    42 S   OH   _O33    62     1.42927   107.90870  -127.84162
   47    46 S   HO   _H9_    63     0.97197   107.66670   -63.82923
   48    33 S   CT   _C7_    46     1.54843   113.12750  -150.67935
   49    48 S   HC   _H4_    47     1.10068   107.21496   168.15620
   50    44 S   CO3  _C10    59     1.54634   104.63334   157.39975
   51    50 S   O2Z  _O35    60     1.26369   116.06763   -85.64949
   52    50 S   O2Z  _O34    61     1.26466   114.80435    93.92486
   53    48 S   CO4  _C11    48     1.53695   111.60526    53.26060
   54    53 S   O    _O36    49     1.23097   121.96077  -108.03245
   55    53 S   CT   _C12    50     1.52325   116.12892    70.80803
   56    55 S   HC   _H10    51     1.09586   107.96005    51.31987
   57    55 S   HC   _H11    52     1.09503   108.13469   -65.72837
   58    55 S   CT   _C13    53     1.52284   112.81037   172.62131
   59    58 S   HC   _H12    54     1.09734   109.55729   -57.79646
   60    58 S   HC   _H13    55     1.09731   109.70167    59.30506
   61    58 S   CO3  _C14    56     1.53128   114.66316  -179.46771
   62    61 S   O2Z  _O38    57     1.26501   114.14459   175.57570
   63    61 S   O2Z  _O37    58     1.26173   116.62108    -4.61690
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1  10   4   9   4  11   6  11   7   3   1  10
   4   3   1   1   8   4   8   5   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    48    49    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    48    49    53    54    55    50  
   38    39    40    44    48    49    53  
   36    37  
   37  
    0  
   39    40    41    42    43    44    48    49    53    46  
   40    41    42    48  
   41    42    43    44    45    48    50    46    47  
   42    43    44    46  
   43    44    45    48    49    53    50    51    52    46    47  
   44    45    48    50    46    47  
   45    48    49    53    54    55    50    51    52    46    47  
   48    49    53    50    51    52    46  
   47    48    50  
    0  
   49    53    54    55    56    57    58    50    51    52  
   53    54    55    50  
   51    52    53  
   52  
    0  
   54    55    56    57    58    59    60    61  
   55    56    57    58  
   56    57    58    59    60    61    62    63  
   57    58    59    60    61  
   58    59    60    61  
   59    60    61    62    63  
   60    61    62    63  
   61    62    63  
   62    63  
   63  
    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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   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    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    48   268.000  1.529
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   340.000  1.080
   40    42   317.000  1.510
   42    43   340.000  1.090
   42    44   268.000  1.529
   42    46   320.000  1.410
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    50   317.000  1.522
   48    49   340.000  1.090
   48    53   317.000  1.522
   53    54   570.000  1.229
   53    55   317.000  1.522
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   317.000  1.522
   61    62   656.000  1.250
   61    63   656.000  1.250
   50    51   656.000  1.250
   50    52   656.000  1.250
   46    47   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    48    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    48    44    58.35000  112.70000
   33    48    49    37.50000  110.70000
   33    48    53    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    42    70.00000  124.00000
   40    38    39    35.00000  120.00000
   40    42    43    35.00000  109.50000
   40    42    44    70.00000  112.02700
   40    42    46    90.00000  110.39200
   42    40    41    35.00000  117.00000
   42    44    45    37.50000  110.70000
   42    44    48    58.35000  112.70000
   42    44    50    70.00000  109.69300
   42    46    47    55.00000  108.50000
   44    42    43    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    53    63.00000  111.10000
   44    50    51    70.00000  117.00000
   44    50    52    70.00000  117.00000
   48    33    34    37.50000  110.70000
   48    33    38    70.00000  112.02700
   48    44    45    37.50000  110.70000
   48    53    54    80.00000  120.40000
   48    53    55    70.00000  116.00000
   53    48    49    35.00000  109.50000
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   53    55    58    63.00000  111.10000
   55    53    54    80.00000  120.40000
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    61    70.00000  109.69300
   57    55    56    33.00000  107.80000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    61    62    70.00000  117.00000
   58    61    63    70.00000  117.00000
   60    58    59    33.00000  107.80000
   61    58    59    35.00000  109.50000
   61    58    60    35.00000  109.50000
   63    61    62    80.00000  126.00000
   50    44    45    35.00000  109.50000
   50    44    48    70.00000  109.69300
   52    50    51    80.00000  126.00000
   46    42    43    35.00000  109.50000
   46    42    44    50.00000  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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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    48    44   0.44750  1.0 1.0
   29    33    48    44  -0.17800 -1.0 2.0
   29    33    48    44   0.20200  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    53   0.56750  1.0 1.0
   29    33    48    53  -0.07550 -1.0 2.0
   29    33    48    53   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    48    53    54   0.30150 -1.0 2.0
   33    48    53    55   0.60050  1.0 1.0
   33    48    53    55   0.05600 -1.0 2.0
   33    48    53    55   0.26150  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    48    44   0.15000  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    53  -0.11250  1.0 3.0
   38    33    48    44   0.34400  1.0 1.0
   38    33    48    44   0.09450 -1.0 2.0
   38    33    48    44   0.11100  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    53  -0.98800  1.0 1.0
   38    33    48    53   0.48800 -1.0 2.0
   38    33    48    53   0.76800  1.0 3.0
   38    40    42    43   0.00000  1.0 1.0
   38    40   -42    44   0.09850  1.0 1.0
   38    40   -42    44   0.15250 -1.0 2.0
   38    40   -42    44  -0.50650  1.0 3.0
   38    40    42    46   0.67800  1.0 1.0
   38    40    42    46   0.47050 -1.0 2.0
   38    40    42    46  -0.62500  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    44    45   0.15000  1.0 3.0
   40    42    44    48   0.34400  1.0 1.0
   40    42    44    48   0.09450 -1.0 2.0
   40    42    44    48   0.11100  1.0 3.0
   40    42    44    50  -0.98800  1.0 1.0
   40    42    44    50   0.48800 -1.0 2.0
   40    42    44    50   0.76800  1.0 3.0
   40    42    46    47  -0.07800  1.0 1.0
   40    42    46    47  -0.21500 -1.0 2.0
   40    42    46    47  -0.03150  1.0 3.0
   41    40    42    43   0.33100  1.0 3.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    46   0.00000  1.0 1.0
   42    44   -48    33   0.56750  1.0 1.0
   42    44   -48    33  -0.07550 -1.0 2.0
   42    44   -48    33   0.20000  1.0 3.0
   42    44    48    49   0.15000  1.0 3.0
   42    44    48    53  -0.95700  1.0 1.0
   42    44    48    53  -0.18200 -1.0 2.0
   42    44    48    53   0.29450  1.0 3.0
   42    44    50    51   0.41150 -1.0 2.0
   42    44    50    52   0.41150 -1.0 2.0
   43    42    44    45   0.15000  1.0 3.0
   43    42    44    48   0.15000  1.0 3.0
   43    42    44    50  -0.11250  1.0 3.0
   43    42    46    47   0.19450  1.0 3.0
   44    42    46    47  -0.11600  1.0 1.0
   44    42    46    47  -0.09450 -1.0 2.0
   44    42    46    47   0.21250  1.0 3.0
   44    48    53    54   0.30150 -1.0 2.0
   44    48    53    55   0.60050  1.0 1.0
   44    48    53    55   0.05600 -1.0 2.0
   44    48    53    55   0.26150  1.0 3.0
   45    44    48    33   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    53  -0.11250  1.0 3.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    52   0.00000  1.0 1.0
   48    33    38    39   0.00000  1.0 1.0
   48    33   -38    40   0.09850  1.0 1.0
   48    33   -38    40   0.15250 -1.0 2.0
   48    33   -38    40  -0.50650  1.0 3.0
   48    44    50    51   0.41150 -1.0 2.0
   48    44    50    52   0.41150 -1.0 2.0
   48    53    55    56   0.00000  1.0 1.0
   48    53    55    57   0.00000  1.0 1.0
   48    53    55    58   0.60050  1.0 1.0
   48    53    55    58   0.05600 -1.0 2.0
   48    53    55    58   0.26150  1.0 3.0
   49    48    53    54   0.00000  1.0 1.0
   49    48    53    55   0.00000  1.0 1.0
   53    55    58    59  -0.11250  1.0 3.0
   53    55    58    60  -0.11250  1.0 3.0
   53    55    58    61  -0.30950  1.0 1.0
   53    55    58    61   1.11150 -1.0 2.0
   53    55    58    61   0.40350  1.0 3.0
   54    53    55    56   0.00000  1.0 1.0
   54    53    55    57   0.00000  1.0 1.0
   54    53    55    58   0.30150 -1.0 2.0
   55    58    61    62   0.41150 -1.0 2.0
   55    58    61    63   0.41150 -1.0 2.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    61  -0.11250  1.0 3.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    61  -0.11250  1.0 3.0
   59    58    61    62   0.00000  1.0 1.0
   59    58    61    63   0.00000  1.0 1.0
   60    58    61    62   0.00000  1.0 1.0
   60    58    61    63   0.00000  1.0 1.0
   50    44    48    33  -1.63150  1.0 1.0
   50    44    48    33  -0.43550 -1.0 2.0
   50    44    48    33   0.24500  1.0 3.0
   50    44    48    49  -0.11250  1.0 3.0
   50    44    48    53  -0.30950  1.0 1.0
   50    44    48    53   1.11150 -1.0 2.0
   50    44    48    53   0.40350  1.0 3.0
   46    42    44    45   0.23400  1.0 3.0
   46    42    44    48   0.86500  1.0 1.0
   46    42    44    48  -0.17500 -1.0 2.0
   46    42    44    48   0.20800  1.0 3.0
   46    42    44    50  -5.33000  1.0 1.0
   46    42    44    50  -0.54250 -1.0 2.0
   46    42    44    50  -0.07300  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
   48    55    53    54  10.50000 -1.0 2.0
   62    58    61    63  10.50000 -1.0 2.0
   51    44    50    52  10.50000 -1.0 2.0
END
