* LIGAND DATABASE FILE (OPLS2005)
*
001      65    66    117    177     340
    1     0 S   NP   _N1_     1    28.73253    95.09968   -23.65980
    2     1 S   H    _HN1     2     1.02829    30.10126   174.53230
    3     1 S   H    _H1_     3     1.02784   106.61983   -88.33611
    4     1 S   H    _H2_     4     1.02951    79.41134    17.83317
    5     1 S   CT   _CA1     5     1.50102   133.46500   125.99009
    6     5 S   HC   _HA1     6     1.09573   105.22041    82.94433
    7     5 S   CO3  _C1_     7     1.53796   112.43263   -37.33407
    8     7 S   O2Z  _O11     8     1.26370   115.01245   -43.54239
    9     7 S   O2Z  _O12     9     1.26239   114.94437   135.64949
   10     5 S   CT   _CB1    10     1.53086   107.42803  -159.06592
   11    10 S   HC   HB11    11     1.09830   109.41007   -49.88936
   12    10 S   HC   HB12    12     1.09814   110.43293    66.72311
   13    10 S   CT   _CG1    13     1.52982   112.58328  -170.87781
   14    13 S   HC   HG11    14     1.09587   110.59479   -64.50322
   15    13 S   HC   HG12    15     1.09667   109.82928    54.72204
   16    13 S   C    _CD1    16     1.51793   112.27729   175.18875
   17    16 S   O    _OE1    17     1.22724   123.30466     4.65328
   18    16 S   N    _N2_    18     1.38645   111.62191  -175.44177
   19    18 S   H    _HN2    19     1.01579   118.94209     2.03394
   20    18 S   CT1  _CA2    20     1.46219   123.42644   178.22359
   21    20 S   HC   _HA2    21     1.09736   109.38553     1.58881
   22    20 S   C    _C2_    22     1.53531   108.56604  -113.92006
   23    22 S   O    _O2_    23     1.23052   122.32623  -147.73781
   24    20 S   CT   _CB2    32     1.53368   111.48518   123.60943
   25    24 S   HC   HB21    33     1.09457   109.81214    56.62138
   26    24 S   HC   HB22    34     1.09492   109.94131   175.52455
   27    22 S   N    _N3_    24     1.38342   113.66907    39.69998
   28    27 S   H    _HN3    25     1.01590   119.57867    -3.31393
   29    24 S   S    _SG2    35     1.82936   111.27771   -64.94369
   30    27 S   CT   _CA3    26     1.45284   123.18291   177.10863
   31    30 S   HC   HA31    27     1.09550   107.50880   -64.56755
   32    30 S   HC   HA32    28     1.09557   107.98308    51.86397
   33    29 S   CT   _C14    36     1.87086   100.69048   172.82244
   34    30 S   CO3  _C3_    29     1.52950   114.09859   173.86621
   35    34 S   O2Z  _O31    30     1.26373   116.07406    -0.59116
   36    34 S   O2Z  _O32    31     1.26429   114.40943   179.46845
   37    33 S   CT   _C13    37     1.55292   107.54388   160.59428
   38    37 S   HC   _H27    38     1.09770   108.84252    65.80858
   39    33 S   CT   _C15    62     1.54356   104.86220   -80.45503
   40    39 S   HC   _H28    63     1.09548   111.59912    68.16071
   41    39 S   HC   _H29    64     1.09634   112.02859   -54.14581
   42    39 S   HC   _H30    65     1.09450   112.25028  -173.86045
   43    37 S   S    _S17    39     1.84069   111.80563  -177.03733
   44    37 S   C    _C10    47     1.54121   114.90930   -56.01661
   45    44 S   O    _O14    48     1.22792   121.97792   -31.36098
   46    43 S   CT   _C12    40     1.81435    98.21214    50.08065
   47    46 S   HC   _H25    41     1.09421   108.54901  -172.81384
   48    46 S   HC   _H26    42     1.09400   108.59320    70.34122
   49    44 S   N    _N13    49     1.39333   111.55326   149.94141
   50    49 S   H    _H31    50     1.01673   117.25528     1.91694
   51    46 S   CT   _C11    43     1.51899   110.89227   -51.67362
   52    51 S   HC   _H23    44     1.09582   108.29844   179.08614
   53    51 S   HC   _H24    45     1.09511   112.20797   -64.45190
   54    49 S   CA   _C9_    51     1.41454   127.52748  -179.13725
   55    33 S   OS   _O15    46     1.43338   109.44000    39.01514
   56    54 S   CA   _C7_    52     1.39798   124.36636     1.71281
   57    56 S   HA   _H21    53     1.08382   122.34038     0.17246
   58    56 S   CA   _C5_    54     1.39892   120.33498   179.92867
   59    58 S   HA   _H19    55     1.08667   119.74099  -180.00000
   60    58 S   CA   _C4_    56     1.39276   120.40049    -0.04846
   61    60 S   HA   _H18    57     1.08599   120.11351  -180.00000
   62    60 S   CA   _C6_    58     1.39148   119.73012    -0.04846
   63    62 S   HA   _H20    59     1.08623   120.04575  -179.94766
   64    54 S   CA   _C8_    60     1.40300   116.85886  -178.50616
   65    64 S   HA   _H22    61     1.08777   120.65330     0.10835
  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  16   7   7   3   2   1  10   8   3   6   5   4
   8   3   3   2   1   9   1   8   4   6   3   5   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    55    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    51    55    44    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    46    51    52    53    55    44    45    49    39    40    41    42  
   35    36  
   36  
    0  
   38    43    46    47    48    51    55    44    45    49    50    54    39    40    41    42  
   43    46    55    44    45    49    39  
   40    41    42    43    44    51    55  
   41    42    55  
   42    55  
   55  
   46    47    48    51    52    53    55    44    45    49  
   45    49    50    54    56    64    46    55  
   49    50    54  
   47    48    51    52    53    55  
   48    51    52    53    55  
   51    52    53    55  
   50    54    56    57    58    62    64    65  
   54    56    64  
   52    53    55  
   53    55  
   55  
   56    57    58    59    60    62    63    64    65  
    0  
   57    58    59    60    61    62    64    65  
   58    59    60    64  
   59    60    61    62    63    64  
   60    61    62  
   61    62    63    64    65  
   62    63    64  
   63    64    65  
   64    65  
   65  
    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   0.348900   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   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
   50   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   51   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   55   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    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   268.000  1.529
   33    55   320.000  1.410
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   222.000  1.810
   37    44   317.000  1.522
   43    46   222.000  1.810
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   320.000  1.410
   44    45   570.000  1.229
   44    49   490.000  1.335
   49    50   434.000  1.010
   49    54   360.000  1.404
   54    56   469.000  1.400
   54    64   469.000  1.400
   56    57   367.000  1.080
   56    58   469.000  1.400
   58    59   367.000  1.080
   58    60   469.000  1.400
   60    61   367.000  1.080
   60    62   469.000  1.400
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   367.000  1.080
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    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  111.63000
   29    33    55    85.00000  114.68000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    75.00000  111.63000
   33    37    44    63.00000  111.10000
   33    55    51    60.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    46    62.00000   98.90000
   37    44    45    80.00000  120.40000
   37    44    49    70.00000  116.60000
   43    37    38    35.00000  109.50000
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    51    75.00000  111.63000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    55    50.00000  109.50000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   53    51    52    33.00000  107.80000
   55    33    37    50.00000  109.50000
   55    51    52    35.00000  109.50000
   55    51    53    35.00000  109.50000
   44    37    38    35.00000  109.50000
   44    37    43    70.00000  112.33000
   44    49    50    35.00000  119.80000
   44    49    54    65.00000  121.96500
   49    44    45    80.00000  122.90000
   49    54    56    70.00000  119.01900
   49    54    64    70.00000  119.01900
   54    49    50    45.00000  118.23600
   54    56    57    35.00000  120.00000
   54    56    58    63.00000  120.00000
   54    64    62    63.00000  120.00000
   54    64    65    35.00000  120.00000
   56    58    59    35.00000  120.00000
   56    58    60    63.00000  120.00000
   58    56    57    35.00000  120.00000
   58    60    61    35.00000  120.00000
   58    60    62    63.00000  120.00000
   60    58    59    35.00000  120.00000
   60    62    63    35.00000  120.00000
   60    62    64    63.00000  120.00000
   62    60    61    35.00000  120.00000
   62    64    65    35.00000  120.00000
   64    54    56    63.00000  120.00000
   64    62    63    35.00000  120.00000
   39    33    37    58.35000  112.70000
   39    33    55    50.00000  109.50000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    55   0.13850  1.0 1.0
   24    29    33    55  -1.34450 -1.0 2.0
   24    29    33    55   0.57400  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   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    37    44   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    55    51   0.14700  1.0 1.0
   29    33    55    51  -1.16150 -1.0 2.0
   29    33    55    51   0.48700  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    46   0.01700  1.0 1.0
   33    37    43    46  -0.23550 -1.0 2.0
   33    37    43    46   0.21350  1.0 3.0
   33    37    44    45   0.30150 -1.0 2.0
   33    37    44    49   1.39750  1.0 1.0
   33    37    44    49  -0.07950 -1.0 2.0
   33    37    44    49  -0.18750  1.0 3.0
   37    33    55    51   0.06250  1.0 1.0
   37    33    55    51  -0.01100 -1.0 2.0
   37    33    55    51   0.28050  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    46    47   0.32350  1.0 3.0
   37    43    46    48   0.32350  1.0 3.0
   37    43   -46    51   0.01700  1.0 1.0
   37    43   -46    51  -0.23550 -1.0 2.0
   37    43   -46    51   0.21350  1.0 3.0
   37    44    49    50   2.45000 -1.0 2.0
   37    44    49    54   0.76000  1.0 1.0
   37    44    49    54   4.11600 -1.0 2.0
   38    37    43    46   0.32350  1.0 3.0
   38    37    44    45   0.00000  1.0 1.0
   38    37    44    49   0.00000  1.0 1.0
   43    37    44    45   0.30150 -1.0 2.0
   43    37    44    49   0.00000  1.0 1.0
   43    46    51    52   0.15000  1.0 3.0
   43    46    51    53   0.15000  1.0 3.0
   43    46    51    55   0.56750  1.0 1.0
   43    46    51    55  -0.07550 -1.0 2.0
   43    46    51    55   0.20000  1.0 3.0
   46    51   -55    33   0.06250  1.0 1.0
   46    51   -55    33  -0.01100 -1.0 2.0
   46    51   -55    33   0.28050  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    55   0.23400  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    55   0.23400  1.0 3.0
   52    51    55    33   0.37050  1.0 3.0
   53    51    55    33   0.37050  1.0 3.0
   55    33    37    38   0.23400  1.0 3.0
   55    33   -37    43   0.56750  1.0 1.0
   55    33   -37    43  -0.07550 -1.0 2.0
   55    33   -37    43   0.20000  1.0 3.0
   55    33    37    44  -0.09450  1.0 1.0
   55    33    37    44  -1.12950 -1.0 2.0
   55    33    37    44   0.54000  1.0 3.0
   55    33    39    40   0.23400  1.0 3.0
   55    33    39    41   0.23400  1.0 3.0
   55    33    39    42   0.23400  1.0 3.0
   44    37    43    46   0.01700  1.0 1.0
   44    37    43    46  -0.23550 -1.0 2.0
   44    37    43    46   0.21350  1.0 3.0
   44    49    54    56   1.00100  1.0 1.0
   44    49    54    56   0.85050 -1.0 2.0
   44    49    54    64   1.00100  1.0 1.0
   44    49    54    64   0.85050 -1.0 2.0
   45    44    49    50   2.45000 -1.0 2.0
   45    44    49    54   0.04000 -1.0 2.0
   49    54    56    57   3.62500 -1.0 2.0
   49    54    56    58   3.62500 -1.0 2.0
   49    54    64    62   3.62500 -1.0 2.0
   49    54    64    65   3.62500 -1.0 2.0
   50    49    54    56   0.97800 -1.0 2.0
   50    49    54    64   0.97800 -1.0 2.0
   54    56    58    59   3.62500 -1.0 2.0
   54    56    58    60   3.62500 -1.0 2.0
   56    54    64    62   3.62500 -1.0 2.0
   56    54    64    65   3.62500 -1.0 2.0
   56    58    60    61   3.62500 -1.0 2.0
   56    58   -60    62   3.62500 -1.0 2.0
   57    56    58    59   3.62500 -1.0 2.0
   57    56    58    60   3.62500 -1.0 2.0
   58    60    62    63   3.62500 -1.0 2.0
   58    60    62    64   3.62500 -1.0 2.0
   59    58    60    61   3.62500 -1.0 2.0
   59    58    60    62   3.62500 -1.0 2.0
   60    62   -64    54   3.62500 -1.0 2.0
   60    62    64    65   3.62500 -1.0 2.0
   61    60    62    63   3.62500 -1.0 2.0
   61    60    62    64   3.62500 -1.0 2.0
   63    62    64    54   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   64    54    56    57   3.62500 -1.0 2.0
   64    54   -56    58   3.62500 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.44750  1.0 1.0
   39    33    37    43  -0.17800 -1.0 2.0
   39    33    37    43   0.20200  1.0 3.0
   39    33    37    44  -0.95700  1.0 1.0
   39    33    37    44  -0.18200 -1.0 2.0
   39    33    37    44   0.29450  1.0 3.0
   39    33    55    51   0.06250  1.0 1.0
   39    33    55    51  -0.01100 -1.0 2.0
   39    33    55    51   0.28050  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   37    49    44    45  10.50000 -1.0 2.0
   50    44    49    54   1.00000 -1.0 2.0
   56    64    54    49   4.00000 -1.0 2.0
   58    57    56    54   1.10000 -1.0 2.0
   60    59    58    56   1.10000 -1.0 2.0
   62    61    60    58   1.10000 -1.0 2.0
   64    63    62    60   1.10000 -1.0 2.0
   62    65    64    54   1.10000 -1.0 2.0
END
