* LIGAND DATABASE FILE (OPLS2005)
*
001      63    63    113    170     335
    1     0 S   NP   _N1_     1    29.06014    93.44803   -22.35257
    2     1 S   H    _HN1     2     1.02780    98.53445   -90.49298
    3     1 S   H    _H1_     3     1.02959    91.45868    18.30163
    4     1 S   H    _H2_     4     1.02845    22.52386   152.94542
    5     1 S   CT   _CA1     5     1.50101   132.67677   138.22042
    6     5 S   HC   _HA1     6     1.09566   105.27210    65.13582
    7     5 S   CO3  _C1_     7     1.53785   112.34958   -55.24058
    8     7 S   O2Z  _O11     8     1.26365   114.97917   -44.39607
    9     7 S   O2Z  _O12     9     1.26224   114.91904   134.83471
   10     5 S   CT   _CB1    10     1.53078   107.48297  -176.80194
   11    10 S   HC   HB11    11     1.09830   109.51736   -49.89167
   12    10 S   HC   HB12    12     1.09766   110.31978    66.61616
   13    10 S   CT   _CG1    13     1.53044   112.66759  -170.87486
   14    13 S   HC   HG11    14     1.09580   110.64927   -62.42615
   15    13 S   HC   HG12    15     1.09647   109.84944    56.87498
   16    13 S   C    _CD1    16     1.51769   112.13570   177.59369
   17    16 S   O    _OE1    17     1.22783   123.05837     7.10788
   18    16 S   N    _N2_    18     1.38688   111.79906  -173.80780
   19    18 S   H    _HN2    19     1.01596   119.10294     0.63149
   20    18 S   CT1  _CA2    20     1.46157   123.28734  -179.43594
   21    20 S   HC   _HA2    21     1.09547   109.03079   -13.79352
   22    20 S   C    _C2_    22     1.53386   108.68039  -128.49803
   23    22 S   O    _O2_    23     1.23003   122.24090  -146.68611
   24    20 S   CT   _CB2    32     1.53521   112.04396   108.74939
   25    24 S   HC   HB21    33     1.09657   109.47958    64.04607
   26    24 S   HC   HB22    34     1.09562   110.80640  -178.82563
   27    22 S   N    _N3_    24     1.38516   113.28027    41.03029
   28    27 S   H    _HN3    25     1.01508   118.92056    -1.05295
   29    24 S   S    _SG2    35     1.82937   114.85717   -55.50232
   30    27 S   CT   _CA3    26     1.45435   123.38739   173.78066
   31    30 S   HC   HA31    27     1.09527   109.11376    26.42678
   32    30 S   HC   HA32    28     1.09486   107.13871   143.53559
   33    29 S   CT   _C10    36     1.83846   100.02203   -66.98004
   34    33 S   HC   _H7_    37     1.09121   107.17923    49.63559
   35    30 S   CO3  _C3_    29     1.53002   113.31187   -96.84503
   36    35 S   O2Z  _O31    30     1.26395   115.60439   -37.40452
   37    35 S   O2Z  _O32    31     1.26378   114.83764   143.51228
   38    33 S   CT   _C6_    38     1.54056   110.09365   168.00134
   39    38 S   HC   _H3_    39     1.09871   109.70042    56.07850
   40    38 S   CT   _C7_    40     1.54098   110.37778   174.67079
   41    40 S   HC   _H4_    41     1.09664   110.67203    72.64696
   42    38 S   N    _N4_    56     1.46605   111.00252   -63.38201
   43    42 S   H    _H11    57     1.01689   117.83346   -39.92716
   44    40 S   CT   _C8_    42     1.53163   111.02380   -49.86420
   45    44 S   HC   _H5_    43     1.09774   108.24389   -69.37136
   46    40 S   OH   _O37    54     1.43100   110.04660  -170.57560
   47    46 S   HO   _H16    55     0.97248   108.23659    53.04480
   48    42 S   C    _C5_    58     1.38311   123.06874   142.31902
   49    48 S   O    _O33    59     1.22786   125.50022    -0.74019
   50    44 S   CT   _C9_    44     1.53266   111.78635    51.13285
   51    50 S   HC   _H6_    45     1.09745   108.06011  -168.64494
   52    44 S   OH   _O36    52     1.42460   109.47121   174.19985
   53    52 S   HO   _H15    53     0.97266   107.58745   174.82347
   54    48 S   CT   _C4_    60     1.50444   112.42396  -179.37882
   55    54 S   HC   _H8_    61     1.09331   109.29248    74.30531
   56    54 S   HC   _H9_    62     1.09339   109.68074  -165.89265
   57    54 S   HC   _H10    63     1.09373   110.46702   -46.20658
   58    33 S   OS   _O34    46     1.42705   109.59202   -69.32846
   59    50 S   CT   _C11    47     1.53553   114.37434    72.99810
   60    59 S   HC   _H12    48     1.09441   110.89208    58.14255
   61    59 S   HC   _H13    49     1.09293   112.56744   -63.55153
   62    59 S   OH   _O35    50     1.42424   109.03104   176.73733
   63    62 S   HO   _H14    51     0.97269   107.18389   178.67618
  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   8   5   4   3
  14   6   2   1   1  15   8  14   7  10   3  12   7   3   1   5
   4   9   6   3   1   3   2   1   1   4   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    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    50    51    58    59    46    42    43    48  
   38    39    40    50    58    42  
   36    37  
   37  
    0  
   39    40    41    44    45    50    58    52    46    47    42    43    48    49    54  
   40    41    44    58    46    42    43    48  
   41    44    45    50    51    58    59    52    53    46    47    42    43    48  
   44    45    50    52    46    47    42  
   43    48    49    54    55    56    57    44    46    58  
   48    49    54  
   45    50    51    58    59    60    61    62    52    53    46    47  
   50    51    58    59    52    53    46  
   47    50    52  
    0  
   49    54    55    56    57  
   54    55    56    57  
   51    58    59    60    61    62    63    52    53  
   58    59    60    61    62    52  
   53    58    59  
    0  
   55    56    57  
   56    57  
   57  
    0  
   59    60    61    62  
   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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   43   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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    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   268.000  1.529
   33    58   320.000  1.410
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   337.000  1.449
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    50   268.000  1.529
   44    52   320.000  1.410
   50    51   340.000  1.090
   50    58   320.000  1.410
   50    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   320.000  1.410
   62    63   553.000  0.945
   52    53   553.000  0.945
   46    47   553.000  0.945
   42    43   434.000  1.010
   42    48   490.000  1.335
   48    49   570.000  1.229
   48    54   317.000  1.522
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
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  111.63000
   29    33    58    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    70.00000  110.72300
   33    58    50    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    38.00000  118.40000
   38    42    48    50.00000  121.90000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    50    58.35000  112.70000
   40    44    52    50.00000  109.50000
   40    46    47    55.00000  108.50000
   44    40    41    37.50000  110.70000
   44    50    51    37.50000  110.70000
   44    50    58    50.00000  109.50000
   44    50    59    58.35000  112.70000
   44    52    53    55.00000  108.50000
   50    44    45    37.50000  110.70000
   50    59    60    37.50000  110.70000
   50    59    61    37.50000  110.70000
   50    59    62    50.00000  109.50000
   58    33    34    35.00000  109.50000
   58    33    38    50.00000  109.50000
   58    50    51    35.00000  109.50000
   59    50    51    37.50000  110.70000
   59    50    58    50.00000  109.50000
   59    62    63    55.00000  108.50000
   61    59    60    33.00000  107.80000
   62    59    60    35.00000  109.50000
   62    59    61    35.00000  109.50000
   52    44    45    35.00000  109.50000
   52    44    50    50.00000  109.50000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    70.00000  110.72300
   42    48    49    80.00000  122.90000
   42    48    54    70.00000  116.60000
   48    42    43    35.00000  119.80000
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    57    35.00000  109.50000
   54    48    49    80.00000  120.40000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    58   0.13850  1.0 1.0
   24    29    33    58  -1.34450 -1.0 2.0
   24    29    33    58   0.57400  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   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    58    50   0.14700  1.0 1.0
   29    33    58    50  -1.16150 -1.0 2.0
   29    33    58    50   0.48700  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.86500  1.0 1.0
   33    38    40    46  -0.17500 -1.0 2.0
   33    38    40    46   0.20800  1.0 3.0
   33    38    42    43   0.00000  1.0 1.0
   33    38    42    48  -0.43950  1.0 1.0
   33    38    42    48  -0.08100 -1.0 2.0
   33    38    42    48   0.03350  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    58    50   0.37050  1.0 3.0
   38    33    58    50   0.06250  1.0 1.0
   38    33    58    50  -0.01100 -1.0 2.0
   38    33    58    50   0.28050  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    50   0.56750  1.0 1.0
   38    40   -44    50  -0.07550 -1.0 2.0
   38    40   -44    50   0.20000  1.0 3.0
   38    40    44    52   0.86500  1.0 1.0
   38    40    44    52  -0.17500 -1.0 2.0
   38    40    44    52   0.20800  1.0 3.0
   38    40    46    47  -0.11600  1.0 1.0
   38    40    46    47  -0.09450 -1.0 2.0
   38    40    46    47   0.21250  1.0 3.0
   38    42    48    49   3.04450 -1.0 2.0
   38    42    48    54   1.49850  1.0 1.0
   38    42    48    54   1.53950 -1.0 2.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    48   0.00000  1.0 1.0
   40    38    42    43   0.00000  1.0 1.0
   40    38    42    48  -0.43950  1.0 1.0
   40    38    42    48  -0.08100 -1.0 2.0
   40    38    42    48   0.03350  1.0 3.0
   40    44    50    51   0.15000  1.0 3.0
   40    44    50    58   0.62750  1.0 1.0
   40    44    50    58  -0.30950 -1.0 2.0
   40    44    50    58   0.27300  1.0 3.0
   40    44    50    59   0.56750  1.0 1.0
   40    44    50    59  -0.07550 -1.0 2.0
   40    44    50    59   0.20000  1.0 3.0
   40    44    52    53  -0.11600  1.0 1.0
   40    44    52    53  -0.09450 -1.0 2.0
   40    44    52    53   0.21250  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    50   0.15000  1.0 3.0
   41    40    44    52   0.23400  1.0 3.0
   41    40    46    47   0.19450  1.0 3.0
   44    40    46    47  -0.11600  1.0 1.0
   44    40    46    47  -0.09450 -1.0 2.0
   44    40    46    47   0.21250  1.0 3.0
   44    50   -58    33   0.06250  1.0 1.0
   44    50   -58    33  -0.01100 -1.0 2.0
   44    50   -58    33   0.28050  1.0 3.0
   44    50    59    60   0.15000  1.0 3.0
   44    50    59    61   0.15000  1.0 3.0
   44    50    59    62   0.86500  1.0 1.0
   44    50    59    62  -0.17500 -1.0 2.0
   44    50    59    62   0.20800  1.0 3.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    58   0.23400  1.0 3.0
   45    44    50    59   0.15000  1.0 3.0
   45    44    52    53   0.19450  1.0 3.0
   50    44    52    53  -0.11600  1.0 1.0
   50    44    52    53  -0.09450 -1.0 2.0
   50    44    52    53   0.21250  1.0 3.0
   50    59    62    63  -0.11600  1.0 1.0
   50    59    62    63  -0.09450 -1.0 2.0
   50    59    62    63   0.21250  1.0 3.0
   51    50    58    33   0.37050  1.0 3.0
   51    50    59    60   0.15000  1.0 3.0
   51    50    59    61   0.15000  1.0 3.0
   51    50    59    62   0.23400  1.0 3.0
   58    33    38    39   0.23400  1.0 3.0
   58    33   -38    40   0.62750  1.0 1.0
   58    33   -38    40  -0.30950 -1.0 2.0
   58    33   -38    40   0.27300  1.0 3.0
   58    33    38    42   1.12100  1.0 1.0
   58    33    38    42  -0.16500 -1.0 2.0
   58    50    59    60   0.23400  1.0 3.0
   58    50    59    61   0.23400  1.0 3.0
   58    50    59    62   3.69350  1.0 1.0
   58    50    59    62  -1.82950 -1.0 2.0
   59    50    58    33   0.06250  1.0 1.0
   59    50    58    33  -0.01100 -1.0 2.0
   59    50    58    33   0.28050  1.0 3.0
   60    59    62    63   0.19450  1.0 3.0
   61    59    62    63   0.19450  1.0 3.0
   52    44    50    51   0.23400  1.0 3.0
   52    44    50    58   3.69350  1.0 1.0
   52    44    50    58  -1.82950 -1.0 2.0
   52    44    50    59   0.86500  1.0 1.0
   52    44    50    59  -0.17500 -1.0 2.0
   52    44    50    59   0.20800  1.0 3.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    50   0.86500  1.0 1.0
   46    40    44    50  -0.17500 -1.0 2.0
   46    40    44    50   0.20800  1.0 3.0
   46    40    44    52   3.75450  1.0 1.0
   42    38    40    41   0.15000  1.0 3.0
   42    38    40    44  -0.27100  1.0 1.0
   42    38    40    44  -0.01700 -1.0 2.0
   42    38    40    44  -0.48600  1.0 3.0
   42    38    40    46   2.76900  1.0 1.0
   42    38    40    46  -0.24350 -1.0 2.0
   42    38    40    46  -0.78250  1.0 3.0
   42    48    54    55   0.00000  1.0 1.0
   42    48    54    56   0.00000  1.0 1.0
   42    48    54    57   0.00000  1.0 1.0
   43    42    48    49   2.45000 -1.0 2.0
   43    42    48    54   2.45000 -1.0 2.0
   49    48    54    55   0.00000  1.0 1.0
   49    48    54    56   0.00000  1.0 1.0
   49    48    54    57   0.00000  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
   36    30    35    37  10.50000 -1.0 2.0
   43    48    42    38   1.00000 -1.0 2.0
   42    54    48    49  10.50000 -1.0 2.0
END
