* LIGAND DATABASE FILE (OPLS2005)
*
001      72    72    124    186     363
    1     0 S   NP   _N1_     1    28.75252    97.05558   -23.21032
    2     1 S   H    _HN1     2     1.02949    67.67476    16.73055
    3     1 S   H    _H1_     3     1.02829    43.86334   169.03132
    4     1 S   H    _H2_     4     1.02789   102.61419   -88.17430
    5     1 S   CT   _CA1     5     1.50109   143.10965   111.37827
    6     5 S   HC   _HA1     6     1.09575   105.19116    97.97411
    7     5 S   CO3  _C1_     7     1.53787   112.48737   -22.24562
    8     7 S   O2Z  _O11     8     1.26371   115.00897   -42.30117
    9     7 S   O2Z  _O12     9     1.26243   114.94270   136.84050
   10     5 S   CT   _CB1    10     1.53082   107.42084  -144.05774
   11    10 S   HC   HB11    11     1.09833   109.34316   -49.86834
   12    10 S   HC   HB12    12     1.09813   110.46059    66.73768
   13    10 S   CT   _CG1    13     1.52987   112.60691  -170.85284
   14    13 S   HC   HG11    14     1.09586   110.62932   -66.09931
   15    13 S   HC   HG12    15     1.09673   109.78155    53.12691
   16    13 S   C    _CD1    16     1.51801   112.24174   173.55929
   17    16 S   O    _OE1    17     1.22728   123.30536     6.97943
   18    16 S   N    _N2_    18     1.38646   111.64792  -173.04060
   19    18 S   H    _HN2    19     1.01576   118.90444     1.68016
   20    18 S   CT1  _CA2    20     1.46198   123.42977   177.47230
   21    20 S   HC   _HA2    21     1.09733   109.40462     3.37394
   22    20 S   C    _C2_    22     1.53547   108.58970  -112.17102
   23    22 S   O    _O2_    23     1.23060   122.28225  -147.48749
   24    20 S   CT   _CB2    32     1.53277   111.50038   125.44801
   25    24 S   HC   HB21    33     1.09596   109.99168    55.81453
   26    24 S   HC   HB22    34     1.09470   110.13324   174.87019
   27    22 S   N    _N3_    24     1.38321   113.71552    39.91628
   28    27 S   H    _HN3    25     1.01581   119.60808    -3.16632
   29    24 S   S    _SG2    35     1.82818   111.47292   -65.08270
   30    27 S   CT   _CA3    26     1.45293   123.22119   177.20089
   31    30 S   HC   HA31    27     1.09549   107.50227   -64.91058
   32    30 S   HC   HA32    28     1.09558   107.99849    51.53650
   33    29 S   CT   _C17    36     1.84432    99.47431   172.83059
   34    33 S   HC   _H3_    37     1.09446   103.41332   -49.00700
   35    30 S   CO3  _C3_    29     1.52964   114.06414   173.54569
   36    35 S   O2Z  _O31    30     1.26377   116.06204    -0.49456
   37    35 S   O2Z  _O32    31     1.26425   114.42278   179.56569
   38    33 S   CA   _C7_    38     1.52575   113.91462    66.30964
   39    33 S   CM   _C11    53     1.53032   109.71719  -165.86222
   40    38 S   CA   _C5_    39     1.40548   122.78715    45.51936
   41    40 S   HA   _H24    40     1.08794   119.68236    -0.47765
   42    39 S   CZ   _C4_    54     1.44035   117.82371   -67.58379
   43    42 S   NZ   _N15    55     1.16119   178.69974    -5.24662
   44    39 S   CMA  _C12    56     1.36621   123.75665   114.05214
   45    44 S   OM   _O18    57     1.26515   129.41288   177.10842
   46    40 S   CA   _C8_    41     1.40297   120.32458   179.04305
   47    44 S   NE   _N16    58     1.40909   121.31619    -2.16193
   48    46 S   CA   _C10    42     1.39777   121.01728    -0.53814
   49    46 S   NO2  _N17    50     1.45604   117.81564   179.16350
   50    49 S   ON   _O19    51     1.23839   117.58642   -35.28078
   51    49 S   ON   _O20    52     1.23850   117.47352   145.02360
   52    47 S   CT   _C15    59     1.47221   120.88779    93.09420
   53    52 S   HC   _H32    60     1.09646   109.68783  -125.61580
   54    52 S   HC   _H33    61     1.09732   110.31126    -8.89050
   55    47 S   CT   _C16    66     1.47370   121.86999   -79.37292
   56    55 S   HC   _H34    67     1.09534   110.36715    43.40494
   57    55 S   HC   _H35    68     1.09649   110.27124   160.47311
   58    48 S   CA   _C9_    43     1.39412   118.62812     0.18557
   59    48 S   OH   _O22    48     1.36757   123.87073   179.59362
   60    59 S   HO   _H38    49     0.97241   109.74646     7.95174
   61    52 S   CT   _C13    62     1.51972   111.66319   112.34460
   62    61 S   HC   _H26    63     1.09454   111.36326   -56.71308
   63    61 S   HC   _H27    64     1.09431   111.35202    63.87315
   64    61 S   HC   _H28    65     1.09459   110.14354  -176.67704
   65    55 S   CT   _C14    69     1.52114   111.76401   -78.16532
   66    65 S   HC   _H29    70     1.09408   111.57920   -55.85240
   67    65 S   HC   _H30    71     1.09454   111.34458    64.80360
   68    65 S   HC   _H31    72     1.09468   110.08308  -175.90022
   69    38 S   CA   _C6_    44     1.40584   118.82613  -136.23130
   70    69 S   HA   _H25    45     1.08762   119.65776     0.98278
   71    58 S   OH   _O21    46     1.36934   119.12074  -180.00000
   72    71 S   HO   _H37    47     0.97207   108.87534   179.42325
  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  12   9  10   4   4   1  10   3   9  14  10
   4   1   1  10   6   5   7   5   4   6   3   1   3   2   1   1
   3   2   1   1   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    69    39    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    46    58    69    70    39    42    43    44    45    47  
   38    40    69    39    42    44  
   36    37  
   37  
    0  
   40    41    46    48    58    69    70    71    49    39    42    44  
   42    43    44    45    47    52    55    40    69  
   41    46    48    58    69    70    59    49    50    51  
   46    48    69    49  
   43    44    45    47  
   44  
   45    47    52    53    54    61    55    56    57    65  
   47    52    55  
   48    58    69    71    59    60    49    50    51  
   52    53    54    61    62    63    64    55    56    57    65    66    67    68  
   58    69    70    71    72    59    60    49    50    51  
   50    51    58    59  
   51  
    0  
   53    54    61    62    63    64    55    56    57    65  
   54    61    62    63    64    55  
   61    62    63    64    55  
   56    57    65    66    67    68    61  
   57    65    66    67    68  
   65    66    67    68  
   69    70    71    72    59    60  
   60    69    71  
    0  
   62    63    64  
   63    64  
   64  
    0  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72  
   71  
   72  
    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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.3000   0.0660   0.560000   2.0580   1.8250   0.025318638  -1.264311570
   43   3.2800   0.1700  -0.560000   2.2500   2.0000   0.024786691  -1.117108600
   44   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.2500   0.1700  -0.993100   1.9050   1.6860   0.051222218  -2.220205820
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   50   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   51   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   52   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   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   317.000  1.510
   33    39   317.000  1.510
   38    40   469.000  1.400
   38    69   469.000  1.400
   40    41   367.000  1.080
   40    46   469.000  1.400
   46    48   469.000  1.400
   46    49   400.000  1.460
   48    58   469.000  1.400
   48    59   450.000  1.364
   58    69   469.000  1.400
   58    71   450.000  1.364
   69    70   367.000  1.080
   71    72   553.000  0.945
   59    60   553.000  0.945
   49    50   550.000  1.225
   49    51   550.000  1.225
   39    42   400.000  1.423
   39    44   465.000  1.376
   42    43   650.000  1.157
   44    45   745.000  1.250
   44    47   415.000  1.382
   47    52   382.000  1.448
   47    55   382.000  1.448
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    40    70.00000  120.00000
   33    38    69    70.00000  120.00000
   33    39    42    65.00000  118.62000
   33    39    44    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    46    63.00000  120.00000
   38    69    58    63.00000  120.00000
   38    69    70    35.00000  120.00000
   40    46    48    63.00000  120.00000
   40    46    49    85.00000  120.00000
   46    40    41    35.00000  120.00000
   46    48    58    63.00000  120.00000
   46    48    59    70.00000  120.00000
   46    49    50    80.00000  117.50000
   46    49    51    80.00000  117.50000
   48    58    69    63.00000  120.00000
   48    58    71    70.00000  120.00000
   48    59    60    35.00000  113.00000
   58    69    70    35.00000  120.00000
   58    71    72    35.00000  113.00000
   69    38    40    63.00000  120.00000
   71    58    69    70.00000  120.00000
   59    48    58    70.00000  120.00000
   49    46    48    85.00000  120.00000
   51    49    50    80.00000  125.30000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    42    43    35.00000  179.19300
   39    44    45    65.00000  137.10300
   39    44    47    75.00000  114.40000
   44    39    42    65.00000  121.28400
   44    47    52    50.00000  121.00000
   44    47    55    50.00000  121.00000
   47    44    45   105.00000  113.92000
   47    52    53    35.00000  109.50000
   47    52    54    35.00000  109.50000
   47    52    61    80.00000  111.61500
   47    55    56    35.00000  109.50000
   47    55    57    35.00000  109.50000
   47    55    65    80.00000  111.61500
   52    61    62    37.50000  110.70000
   52    61    63    37.50000  110.70000
   52    61    64    37.50000  110.70000
   54    52    53    33.00000  107.80000
   61    52    53    37.50000  110.70000
   61    52    54    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   55    47    52    50.00000  115.00000
   55    65    66    37.50000  110.70000
   55    65    67    37.50000  110.70000
   55    65    68    37.50000  110.70000
   57    55    56    33.00000  107.80000
   65    55    56    37.50000  110.70000
   65    55    57    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    40  -0.16000  1.0 1.0
   29    33    38    40  -0.03200 -1.0 2.0
   29    33    38    40   0.04500  1.0 3.0
   29    33    38    69  -0.16000  1.0 1.0
   29    33    38    69  -0.03200 -1.0 2.0
   29    33    38    69   0.04500  1.0 3.0
   29    33    39    42   0.09700  1.0 1.0
   29    33    39    42   0.15600 -1.0 2.0
   29    33    39    42  -0.50800  1.0 3.0
   29    33    39    44   0.42700  1.0 1.0
   29    33    39    44  -0.70350 -1.0 2.0
   29    33    39    44  -0.43150  1.0 3.0
   33    38    40    41   3.62500 -1.0 2.0
   33    38    40    46   3.62500 -1.0 2.0
   33    38    69    58   3.62500 -1.0 2.0
   33    38    69    70   3.62500 -1.0 2.0
   33    39    42    43   0.00000  1.0 1.0
   33    39    44    45   7.00000 -1.0 2.0
   33    39    44    47   7.00000 -1.0 2.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    69   0.00000  1.0 1.0
   34    33    39    42   0.00000  1.0 1.0
   34    33    39    44   0.00000  1.0 1.0
   38    33    39    42   0.09700  1.0 1.0
   38    33    39    42   0.15600 -1.0 2.0
   38    33    39    42  -0.50800  1.0 3.0
   38    33    39    44   1.44450  1.0 1.0
   38    33    39    44   0.06600 -1.0 2.0
   38    33    39    44   0.29250  1.0 3.0
   38    40    46    48   3.62500 -1.0 2.0
   38    40    46    49   3.62500 -1.0 2.0
   40    38    69    58   3.62500 -1.0 2.0
   40    38    69    70   3.62500 -1.0 2.0
   40    46   -48    58   3.62500 -1.0 2.0
   40    46    48    59   3.62500 -1.0 2.0
   40    46    49    50   0.69950 -1.0 2.0
   40    46    49    51   0.69950 -1.0 2.0
   41    40    46    48   3.62500 -1.0 2.0
   41    40    46    49   3.62500 -1.0 2.0
   46    48    58    69   3.62500 -1.0 2.0
   46    48    58    71   3.62500 -1.0 2.0
   46    48    59    60   0.84100 -1.0 2.0
   48    46    49    50   0.69950 -1.0 2.0
   48    46    49    51   0.69950 -1.0 2.0
   48    58   -69    38   3.62500 -1.0 2.0
   48    58    69    70   3.62500 -1.0 2.0
   48    58    71    72   0.84100 -1.0 2.0
   58    48    59    60   0.84100 -1.0 2.0
   69    38    40    41   3.62500 -1.0 2.0
   69    38   -40    46   3.62500 -1.0 2.0
   69    58    71    72   0.84100 -1.0 2.0
   71    58    69    38   3.62500 -1.0 2.0
   71    58    69    70   3.62500 -1.0 2.0
   59    48    58    69   3.62500 -1.0 2.0
   59    48    58    71   3.62500 -1.0 2.0
   49    46    48    58   3.62500 -1.0 2.0
   49    46    48    59   3.62500 -1.0 2.0
   39    33    38    40   0.18050 -1.0 2.0
   39    33    38    69   0.18050 -1.0 2.0
   39    44    47    52  -0.54700  1.0 1.0
   39    44    47    52   1.23000 -1.0 2.0
   39    44    47    55  -0.54700  1.0 1.0
   39    44    47    55   1.23000 -1.0 2.0
   42    39    44    45   7.00000 -1.0 2.0
   42    39    44    47   7.00000 -1.0 2.0
   44    39    42    43   0.00000  1.0 1.0
   44    47    52    53   0.00000  1.0 1.0
   44    47    52    54   0.00000  1.0 1.0
   44    47    52    61   0.25450  1.0 1.0
   44    47    52    61  -0.61700 -1.0 2.0
   44    47    52    61  -0.23550  1.0 3.0
   44    47    55    56   0.00000  1.0 1.0
   44    47    55    57   0.00000  1.0 1.0
   44    47    55    65   0.25450  1.0 1.0
   44    47    55    65  -0.61700 -1.0 2.0
   44    47    55    65  -0.23550  1.0 3.0
   45    44    47    52   1.00000 -1.0 2.0
   45    44    47    55   1.00000 -1.0 2.0
   47    52    61    62   0.22950  1.0 3.0
   47    52    61    63   0.22950  1.0 3.0
   47    52    61    64   0.22950  1.0 3.0
   47    55    65    66   0.22950  1.0 3.0
   47    55    65    67   0.22950  1.0 3.0
   47    55    65    68   0.22950  1.0 3.0
   52    47    55    56   0.00000  1.0 1.0
   52    47    55    57   0.00000  1.0 1.0
   52    47    55    65   0.00000  1.0 1.0
   53    52    61    62   0.15000  1.0 3.0
   53    52    61    63   0.15000  1.0 3.0
   53    52    61    64   0.15000  1.0 3.0
   54    52    61    62   0.15000  1.0 3.0
   54    52    61    63   0.15000  1.0 3.0
   54    52    61    64   0.15000  1.0 3.0
   55    47    52    53   0.00000  1.0 1.0
   55    47    52    54   0.00000  1.0 1.0
   55    47    52    61   0.00000  1.0 1.0
   56    55    65    66   0.15000  1.0 3.0
   56    55    65    67   0.15000  1.0 3.0
   56    55    65    68   0.15000  1.0 3.0
   57    55    65    66   0.15000  1.0 3.0
   57    55    65    67   0.15000  1.0 3.0
   57    55    65    68   0.15000  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
   37    30    35    36  10.50000 -1.0 2.0
   40    69    38    33   4.00000 -1.0 2.0
   46    41    40    38   1.10000 -1.0 2.0
   48    49    46    40   4.00000 -1.0 2.0
   58    59    48    46   4.00000 -1.0 2.0
   69    71    58    48   4.00000 -1.0 2.0
   58    70    69    38   1.10000 -1.0 2.0
   51    46    49    50  10.50000 -1.0 2.0
   33    42    39    44  15.00000 -1.0 2.0
   47    45    44    39  15.00000 -1.0 2.0
   55    44    47    52   1.00000 -1.0 2.0
END
