* LIGAND DATABASE FILE (OPLS2005)
*
001      63    64    110    170     327
    1     0 S   NP   _N1_     1    29.11220    93.18033   -19.01912
    2     1 S   H    _HN1     2     1.03159   112.70560    63.71583
    3     1 S   H    _H1_     3     1.02812    21.05991   142.15268
    4     1 S   H    _H2_     4     1.02744    87.13899   -44.62956
    5     1 S   CT   _CA1     5     1.50203   123.34522  -159.36498
    6     5 S   HC   _HA1     6     1.09582   105.12341    44.36107
    7     5 S   CO3  _C1_     7     1.53780   112.70397   -75.31074
    8     7 S   O2Z  _O11     8     1.26319   115.11971   -35.34894
    9     7 S   O2Z  _O12     9     1.26262   114.95915   143.67777
   10     5 S   CT   _CB1    10     1.53064   107.13854   162.10229
   11    10 S   HC   HB11    11     1.09802   109.01793   -50.53403
   12    10 S   HC   HB12    12     1.09819   110.32954    65.64033
   13    10 S   CT   _CG1    13     1.53079   113.20066  -172.22577
   14    13 S   HC   HG11    14     1.09509   110.01419   -64.21737
   15    13 S   HC   HG12    15     1.09588   110.59994    54.86011
   16    13 S   C    _CD1    16     1.51826   111.10231   174.06198
   17    16 S   O    _OE1    17     1.22848   122.37123   -38.28917
   18    16 S   N    _N2_    18     1.38478   112.69757   142.75052
   19    18 S   H    _HN2    19     1.01568   119.28499     1.63423
   20    18 S   CT1  _CA2    20     1.46368   123.26207  -176.51670
   21    20 S   HC   _HA2    21     1.09737   109.32259   -18.66148
   22    20 S   C    _C2_    22     1.53366   108.24615  -134.47644
   23    22 S   O    _O2_    23     1.23002   122.31554  -145.08360
   24    20 S   CT   _CB2    32     1.53746   111.29688   103.43223
   25    24 S   HC   HB21    33     1.09263   108.88727    55.49256
   26    24 S   HC   HB22    34     1.09460   110.30989   174.06819
   27    22 S   N    _N3_    24     1.38530   113.26137    42.23719
   28    27 S   H    _HN3    25     1.01540   118.90660    -0.49059
   29    24 S   S    _SG2    35     1.82850   111.17729   -66.28772
   30    27 S   CT   _CA3    26     1.45442   123.35812   175.03995
   31    30 S   HC   HA31    27     1.09531   109.10259    26.67409
   32    30 S   HC   HA32    28     1.09491   107.14834   143.67400
   33    29 S   CT   _C6_    36     1.86642   102.39625   165.81143
   34    30 S   CO3  _C3_    29     1.52944   113.24465   -96.69718
   35    34 S   O2Z  _O31    30     1.26392   115.47654   -42.43073
   36    34 S   O2Z  _O32    31     1.26365   114.92871   138.50698
   37    33 S   CM   _C5_    37     1.51990   108.57120    65.43359
   38    37 S   HC   _H6_    38     1.08058   125.05171   -69.12489
   39    33 S   CT   _C7_    51     1.57115   113.28911   -60.31216
   40    39 S   HC   _H3_    52     1.09376   110.63952    61.89319
   41    37 S   CM   _C4_    39     1.34216   110.28482   112.12977
   42    41 S   HC   _H5_    40     1.07850   125.87635   179.35079
   43    39 S   OH   _O35    53     1.43338   109.28792   177.97619
   44    43 S   HO   _H13    54     0.97267   107.46047  -178.75133
   45    41 S   CM   _C15    41     1.44082   110.19465    -0.44279
   46    45 S   HC   _H8_    42     1.07880   123.84327   179.68721
   47    33 S   CM   _C14    43     1.54495   106.61093   172.42938
   48    47 S   CZ   _C13    44     1.41945   124.09045    67.84383
   49    48 S   CZ   _C12    45     1.20179   160.07757    16.17340
   50    49 S   CM   _C11    46     1.43904   159.17822     3.09851
   51    50 S   CM   _C10    47     1.35564   117.34058     4.92549
   52    51 S   HC   _H7_    48     1.08418   121.45751   179.68910
   53    50 S   CT   _C16    55     1.51215   120.76475  -175.16576
   54    53 S   HC   _H4_    56     1.09712   110.10672  -175.22615
   55    51 S   CZ   _C9_    49     1.43038   120.08509    -0.12511
   56    53 S   CT   _C17    57     1.52978   113.02428    63.07609
   57    56 S   HC   _H9_    58     1.09594   111.69011   -53.02607
   58    56 S   HC   _H10    59     1.09590   110.04477  -171.69170
   59    53 S   OH   _O34    62     1.42813   109.44854   -57.50909
   60    59 S   HO   _H12    63     0.97278   107.57210   -54.87505
   61    55 S   CZ   _C8_    50     1.20229   160.43845     2.21708
   62    56 S   OH   _O33    60     1.42198   110.58299    68.76539
   63    62 S   HO   _H11    61     0.97312   106.42295  -174.65089
  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  11   5   4   3
  15   2   1   1  11   5  10   5   5   3   4   1   4   2   4   4
   8  12   7   3   9   6   1   6   4   3   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    47    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    45    47    48    61    39    40    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    45    46    47    48    49    55    61    39    40    43    44  
   35    36  
   36  
    0  
   38    41    42    45    46    47    48    61    39    40    43  
   41    42    45    47    39  
   40    43    44    41    45    47    48    51    55    61  
   43    44    47    55    61  
   42    45    46    47    48  
   45    46    47  
   44    47    55    61  
   61  
   46    47    48    49  
   47    48  
   48    49    50    61  
   49    50    51    53  
   50    51    52    55    53    54    56    59  
   51    52    55    61    53    54    56    57    58    62    59    60  
   52    55    61    53    54    56    59  
   55    61    53  
   54    56    57    58    62    63    59    60    55  
   56    57    58    62    59    60  
   61  
   57    58    62    63    59    60  
   58    62    63    59  
   62    63    59  
   60    62  
    0  
    0  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   49   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   56   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   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
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    47   317.000  1.510
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    41   549.000  1.340
   41    42   340.000  1.080
   41    45   380.000  1.444
   45    46   340.000  1.080
   45    47   549.000  1.340
   47    48   400.000  1.423
   48    49   985.000  1.221
   49    50   400.000  1.423
   50    51   549.000  1.340
   50    53   317.000  1.510
   51    52   340.000  1.080
   51    55   400.000  1.423
   55    61   985.000  1.221
   61    39   390.000  1.470
   39    40   340.000  1.090
   39    43   320.000  1.410
   43    44   553.000  0.945
   53    54   340.000  1.090
   53    56   268.000  1.529
   53    59   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   320.000  1.410
   62    63   553.000  0.945
   59    60   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    47    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    47    45    70.00000  124.00000
   33    47    48    65.00000  118.62000
   33    39    61    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    50.00000  109.50000
   37    41    42    35.00000  120.00000
   37    41    45    70.00000  123.01800
   41    37    38    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    47    70.00000  123.01800
   45    41    42    35.00000  120.00000
   45    47    48    65.00000  121.28400
   47    33    37    70.00000  110.12100
   47    45    46    35.00000  120.00000
   47    48    49    30.00000  178.29000
   48    49    50    30.00000  178.29000
   49    50    51    65.00000  121.28400
   49    50    53    65.00000  118.62000
   50    51    52    35.00000  120.00000
   50    51    55    65.00000  121.28400
   50    53    54    35.00000  109.50000
   50    53    56    70.00000  112.02700
   50    53    59    90.00000  110.39200
   51    55    61    30.00000  178.29000
   55    51    52    40.00000  117.14900
   55    61    39    30.00000  179.48800
   61    39    40    35.00000  108.50000
   61    39    43    90.00000  111.78800
   39    33    37    70.00000  112.02700
   39    33    47    70.00000  112.02700
   39    43    44    55.00000  108.50000
   43    39    40    35.00000  109.50000
   53    50    51    70.00000  124.00000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    62    50.00000  109.50000
   53    59    60    55.00000  108.50000
   56    53    54    37.50000  110.70000
   56    62    63    55.00000  108.50000
   58    56    57    33.00000  107.80000
   62    56    57    35.00000  109.50000
   62    56    58    35.00000  109.50000
   59    53    54    35.00000  109.50000
   59    53    56    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    47  -0.62250  1.0 1.0
   24    29    33    47  -0.38450 -1.0 2.0
   24    29    33    47   0.81900  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    37    38   0.00000  1.0 1.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    47    45   0.42700  1.0 1.0
   29    33    47    45  -0.70350 -1.0 2.0
   29    33    47    45  -0.43150  1.0 3.0
   29    33    47    48   0.09700  1.0 1.0
   29    33    47    48   0.15600 -1.0 2.0
   29    33    47    48  -0.50800  1.0 3.0
   29    33    39    61   0.56750  1.0 1.0
   29    33    39    61  -0.07550 -1.0 2.0
   29    33    39    61   0.20000  1.0 3.0
   29    33    39    40   0.15000  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    37    41    42   7.00000 -1.0 2.0
   33    37   -41    45   7.00000 -1.0 2.0
   33    47    48    49   0.00000  1.0 1.0
   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
   37    33   -47    45  -0.28300  1.0 1.0
   37    33   -47    45   0.26700 -1.0 2.0
   37    33   -47    45  -0.63300  1.0 3.0
   37    33    47    48   0.09700  1.0 1.0
   37    33    47    48   0.15600 -1.0 2.0
   37    33    47    48  -0.50800  1.0 3.0
   37    33    39    61   0.56750  1.0 1.0
   37    33    39    61  -0.07550 -1.0 2.0
   37    33    39    61   0.20000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    43   1.05650  1.0 1.0
   37    33    39    43   0.15600 -1.0 2.0
   37    33    39    43   0.53150  1.0 3.0
   37    41    45    46  -0.18600  1.0 3.0
   37    41   -45    47   0.28850  1.0 1.0
   37    41   -45    47   2.61350 -1.0 2.0
   37    41   -45    47   0.78400  1.0 3.0
   38    37    41    42   7.00000 -1.0 2.0
   38    37    41    45   7.00000 -1.0 2.0
   41    45   -47    33   7.00000 -1.0 2.0
   41    45    47    48   7.00000 -1.0 2.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    47  -0.18600  1.0 3.0
   45    47    48    49   0.00000  1.0 1.0
   46    45    47    33   7.00000 -1.0 2.0
   46    45    47    48   7.00000 -1.0 2.0
   47    33    37    38   0.00000  1.0 1.0
   47    33   -37    41  -0.28300  1.0 1.0
   47    33   -37    41   0.26700 -1.0 2.0
   47    33   -37    41  -0.63300  1.0 3.0
   47    33    39    61   0.56750  1.0 1.0
   47    33    39    61  -0.07550 -1.0 2.0
   47    33    39    61   0.20000  1.0 3.0
   47    33    39    40   0.15000  1.0 3.0
   47    33    39    43   1.05650  1.0 1.0
   47    33    39    43   0.15600 -1.0 2.0
   47    33    39    43   0.53150  1.0 3.0
   47    48    49    50   0.00000  1.0 1.0
   48    49    50    51   0.00000  1.0 1.0
   48    49    50    53   0.00000  1.0 1.0
   49    50    51    52   7.00000 -1.0 2.0
   49    50    51    55   7.00000 -1.0 2.0
   49    50    53    54   0.00000  1.0 1.0
   49    50    53    56   0.09700  1.0 1.0
   49    50    53    56   0.15600 -1.0 2.0
   49    50    53    56  -0.50800  1.0 3.0
   49    50    53    59   0.09700  1.0 1.0
   49    50    53    59   0.15600 -1.0 2.0
   49    50    53    59  -0.50800  1.0 3.0
   50    51    55    61   0.00000  1.0 1.0
   50    53    56    57   0.15000  1.0 3.0
   50    53    56    58   0.15000  1.0 3.0
   50    53    56    62   1.05650  1.0 1.0
   50    53    56    62   0.15600 -1.0 2.0
   50    53    56    62   0.53150  1.0 3.0
   50    53    59    60  -0.07800  1.0 1.0
   50    53    59    60  -0.21500 -1.0 2.0
   50    53    59    60  -0.03150  1.0 3.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    56   0.09850  1.0 1.0
   51    50    53    56   0.15250 -1.0 2.0
   51    50    53    56  -0.50650  1.0 3.0
   51    50    53    59   0.67800  1.0 1.0
   51    50    53    59   0.47050 -1.0 2.0
   51    50    53    59  -0.62500  1.0 3.0
   51    55    61    39   0.00000  1.0 1.0
   52    51    55    61   0.00000  1.0 1.0
   55    61    39    33   0.00000  1.0 1.0
   55    61    39    40   0.00000  1.0 1.0
   55    61    39    43   0.00000  1.0 1.0
   61    39    43    44   0.35600  1.0 1.0
   61    39    43    44  -0.10750 -1.0 2.0
   61    39    43    44  -0.54400  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41   0.09850  1.0 1.0
   39    33    37    41   0.15250 -1.0 2.0
   39    33    37    41  -0.50650  1.0 3.0
   39    33    47    45   0.09850  1.0 1.0
   39    33    47    45   0.15250 -1.0 2.0
   39    33    47    45  -0.50650  1.0 3.0
   39    33    47    48   0.09700  1.0 1.0
   39    33    47    48   0.15600 -1.0 2.0
   39    33    47    48  -0.50800  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   53    50    51    52   7.00000 -1.0 2.0
   53    50    51    55   7.00000 -1.0 2.0
   53    56    62    63  -0.11600  1.0 1.0
   53    56    62    63  -0.09450 -1.0 2.0
   53    56    62    63   0.21250  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    62   0.23400  1.0 3.0
   54    53    59    60   0.19450  1.0 3.0
   56    53    59    60  -0.11600  1.0 1.0
   56    53    59    60  -0.09450 -1.0 2.0
   56    53    59    60   0.21250  1.0 3.0
   57    56    62    63   0.19450  1.0 3.0
   58    56    62    63   0.19450  1.0 3.0
   59    53    56    57   0.23400  1.0 3.0
   59    53    56    58   0.23400  1.0 3.0
   59    53    56    62   3.75450  1.0 1.0
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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   45    42    41    37   1.10000 -1.0 2.0
   41    46    45    47   1.10000 -1.0 2.0
   33    48    47    45   1.10000 -1.0 2.0
   49    53    50    51   1.10000 -1.0 2.0
   55    52    51    50   1.10000 -1.0 2.0
END
