* LIGAND DATABASE FILE (OPLS2005)
*
001      73    73    127    191     373
    1     0 S   NP   _N1_     1    28.93696    93.39184   -20.56773
    2     1 S   H    _HN1     2     1.02861    98.75502     8.59896
    3     1 S   H    _H1_     3     1.02969    32.67059   117.06554
    4     1 S   H    _H2_     4     1.02796    81.21334   -98.61003
    5     1 S   CT   _CA1     5     1.50504   139.79204   147.42934
    6     5 S   HC   _HA1     6     1.09681   104.66815    46.54436
    7     5 S   CO3  _C1_     7     1.54438   110.86481   -69.43953
    8     7 S   O2Z  _O11     8     1.26137   116.80591  -118.68904
    9     7 S   O2Z  _O12     9     1.26526   113.80413    60.42277
   10     5 S   CT   _CB1    10     1.53065   107.04961   162.67509
   11    10 S   HC   HB11    11     1.09836   110.05284   -42.28628
   12    10 S   HC   HB12    12     1.09793   110.02403    74.29104
   13    10 S   CT   _CG1    13     1.53129   112.48277  -162.95397
   14    13 S   HC   HG11    14     1.09493   110.84707   -53.35028
   15    13 S   HC   HG12    15     1.09629   110.01492    65.66268
   16    13 S   C    _CD1    16     1.51769   111.83945  -174.22861
   17    16 S   O    _OE1    17     1.22757   123.08543   -10.91293
   18    16 S   N    _N2_    18     1.38606   111.90842   169.24474
   19    18 S   H    _HN2    19     1.01581   119.21142     2.61517
   20    18 S   CT1  _CA2    20     1.46290   123.10569  -175.68675
   21    20 S   HC   _HA2    21     1.09722   109.38042   -11.56822
   22    20 S   C    _C2_    22     1.53332   108.70655  -127.57421
   23    22 S   O    _O2_    23     1.23018   122.14768  -146.82719
   24    20 S   CT   _CB2    32     1.53506   111.17344   110.15865
   25    24 S   HC   HB21    33     1.09385   109.29532    60.16636
   26    24 S   HC   HB22    34     1.09518   110.64449   178.15411
   27    22 S   N    _N3_    24     1.38478   113.41951    40.54803
   28    27 S   H    _HN3    25     1.01526   118.92452    -0.51510
   29    24 S   S    _SG2    35     1.83043   111.48903   -62.33898
   30    27 S   CT   _CA3    26     1.45456   123.45858   175.17278
   31    30 S   HC   HA31    27     1.09521   109.26761    23.78616
   32    30 S   HC   HA32    28     1.09496   107.11253   140.78991
   33    29 S   CT   _C17    36     1.85525   100.49012   148.54945
   34    33 S   HC   _H3_    37     1.09810   105.46995    51.70716
   35    30 S   CO3  _C3_    29     1.52921   113.09540   -99.71657
   36    35 S   O2Z  _O31    30     1.26403   115.39408   -44.77166
   37    35 S   O2Z  _O32    31     1.26354   114.99472   136.16580
   38    33 S   CA   _C7_    38     1.52610   110.61586   -66.66090
   39    33 S   CT   _C16    53     1.55825   110.34788   169.04291
   40    39 S   HC   _H36    54     1.09325   108.24258    59.74569
   41    38 S   CA   _C5_    39     1.40558   119.24572   121.14230
   42    41 S   HA   _H24    40     1.08814   119.87015    -0.30647
   43    39 S   CZ   _C4_    55     1.47902   111.23306   -60.75265
   44    43 S   NZ   _N15    56     1.16053   179.59026   179.54630
   45    39 S   C    _C11    57     1.53726   110.82700  -179.32565
   46    45 S   O    _O19    58     1.23639   119.63825    36.72970
   47    41 S   CA   _C8_    41     1.39794   119.77698   179.00850
   48    45 S   N    _N16    59     1.39971   118.00211  -144.84838
   49    47 S   CA   _C10    42     1.39082   121.53119     0.37115
   50    47 S   NO2  _N17    50     1.44588   118.08934  -179.69099
   51    50 S   ON   _O18    51     1.23822   116.95510   -56.27590
   52    50 S   ON   _O20    52     1.23784   117.37991   122.77523
   53    48 S   CT   _C14    60     1.46684   118.26413   177.22357
   54    53 S   HC   _H32    61     1.09523   109.08336  -147.79172
   55    53 S   HC   _H33    62     1.09587   109.21184   -31.03116
   56    48 S   CT   _C15    67     1.46970   125.43790    -4.82653
   57    56 S   HC   _H34    68     1.09584   108.45223  -143.75113
   58    56 S   HC   _H35    69     1.09276   110.24110   -27.75629
   59    49 S   CA   _C9_    43     1.39180   118.71387    -0.30647
   60    49 S   OH   _O22    48     1.36547   121.08005   178.70775
   61    60 S   HO   _H39    49     0.97465   107.37586   179.59218
   62    53 S   CT   _C12    63     1.52078   111.76785    89.72873
   63    62 S   HC   _H26    64     1.09489   111.10277   -59.42241
   64    62 S   HC   _H27    65     1.09461   111.21809    60.52721
   65    62 S   HC   _H28    66     1.09428   110.30656  -179.44152
   66    56 S   CT   _C13    70     1.52068   111.94546    94.89962
   67    66 S   HC   _H29    71     1.09345   111.42783   -59.66083
   68    66 S   HC   _H30    72     1.09463   111.19486    60.32927
   69    66 S   HC   _H31    73     1.09431   110.25792  -179.80317
   70    38 S   CA   _C6_    44     1.40754   122.02187   -59.80457
   71    70 S   HA   _H25    45     1.08756   120.12775     0.84696
   72    59 S   OH   _O21    46     1.36743   118.25572   179.81655
   73    72 S   HO   _H38    47     0.97686   109.20904  -175.56893
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  15   7   2   1   1  13  10   5  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    41    70    39    40    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    47    59    70    71    39    40    43    44    45    46    48  
   38    41    70    39    40    43    45  
   36    37  
   37  
    0  
   41    42    47    49    59    70    71    72    50    39    40    43    45  
   40    43    44    45    46    48    53    56    41    70  
   43    44    45    46    48  
   42    47    49    59    70    71    60    50    51    52  
   47    49    70    50  
   44    45    46    48  
   45  
   46    48    53    54    55    62    56    57    58    66  
   48    53    56  
   49    59    70    72    60    61    50    51    52  
   53    54    55    62    63    64    65    56    57    58    66    67    68    69  
   59    70    71    72    73    60    61    50    51    52  
   51    52    59    60  
   52  
    0  
   54    55    62    63    64    65    56    57    58    66  
   55    62    63    64    65    56  
   62    63    64    65    56  
   57    58    66    67    68    69    62  
   58    66    67    68    69  
   66    67    68    69  
   70    71    72    73    60    61  
   61    70    72  
    0  
   63    64    65  
   64    65  
   65  
    0  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73  
   72  
   73  
    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   3.3000   0.0660   0.040000   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.3000   0.0660   0.460000   2.0580   1.8250   0.025318638  -1.264311570
   44   3.2800   0.1700  -0.560000   2.2500   2.0000   0.024786691  -1.117108600
   45   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   47   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.2500   0.1700  -0.140000   1.8100   1.6000   0.054801302  -1.445846770
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   51   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   52   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   53   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   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   268.000  1.529
   38    41   469.000  1.400
   38    70   469.000  1.400
   41    42   367.000  1.080
   41    47   469.000  1.400
   47    49   469.000  1.400
   47    50   400.000  1.460
   49    59   469.000  1.400
   49    60   450.000  1.364
   59    70   469.000  1.400
   59    72   450.000  1.364
   70    71   367.000  1.080
   72    73   553.000  0.945
   60    61   553.000  0.945
   50    51   550.000  1.225
   50    52   550.000  1.225
   39    40   340.000  1.090
   39    43   390.000  1.470
   39    45   317.000  1.522
   43    44   650.000  1.157
   45    46   570.000  1.229
   45    48   490.000  1.335
   48    53   337.000  1.449
   48    56   337.000  1.449
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   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  111.63000
   33    38    41    70.00000  120.00000
   33    38    70    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   33    39    45    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    47    63.00000  120.00000
   38    70    59    63.00000  120.00000
   38    70    71    35.00000  120.00000
   41    47    49    63.00000  120.00000
   41    47    50    85.00000  120.00000
   47    41    42    35.00000  120.00000
   47    49    59    63.00000  120.00000
   47    49    60    70.00000  120.00000
   47    50    51    80.00000  117.50000
   47    50    52    80.00000  117.50000
   49    59    70    63.00000  120.00000
   49    59    72    70.00000  120.00000
   49    60    61    35.00000  113.00000
   59    70    71    35.00000  120.00000
   59    72    73    35.00000  113.00000
   70    38    41    63.00000  120.00000
   72    59    70    70.00000  120.00000
   60    49    59    70.00000  120.00000
   50    47    49    85.00000  120.00000
   52    50    51    80.00000  125.30000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    43    44   150.00000  180.00000
   39    45    46    80.00000  120.40000
   39    45    48    70.00000  116.60000
   43    39    40    35.00000  108.50000
   45    39    40    35.00000  109.50000
   45    39    43    70.00000  111.78000
   45    48    53    50.00000  121.90000
   45    48    56    50.00000  121.90000
   48    45    46    80.00000  122.90000
   48    53    54    35.00000  109.50000
   48    53    55    35.00000  109.50000
   48    53    62    70.00000  110.72300
   48    56    57    35.00000  109.50000
   48    56    58    35.00000  109.50000
   48    56    66    70.00000  110.72300
   53    62    63    37.50000  110.70000
   53    62    64    37.50000  110.70000
   53    62    65    37.50000  110.70000
   55    53    54    33.00000  107.80000
   62    53    54    37.50000  110.70000
   62    53    55    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   56    48    53    50.00000  118.00000
   56    66    67    37.50000  110.70000
   56    66    68    37.50000  110.70000
   56    66    69    37.50000  110.70000
   58    56    57    33.00000  107.80000
   66    56    57    37.50000  110.70000
   66    56    58    37.50000  110.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    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   0.01700  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    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    70  -0.16000  1.0 1.0
   29    33    38    70  -0.03200 -1.0 2.0
   29    33    38    70   0.04500  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
   29    33    39    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    47   3.62500 -1.0 2.0
   33    38    70    59   3.62500 -1.0 2.0
   33    38    70    71   3.62500 -1.0 2.0
   33    39    43    44   0.00000  1.0 1.0
   33    39    45    46   0.30150 -1.0 2.0
   33    39    45    48   1.39750  1.0 1.0
   33    39    45    48  -0.07950 -1.0 2.0
   33    39    45    48  -0.18750  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    70   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   34    33    39    45  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    43   0.56750  1.0 1.0
   38    33    39    43  -0.07550 -1.0 2.0
   38    33    39    43   0.20000  1.0 3.0
   38    33    39    45   0.56750  1.0 1.0
   38    33    39    45  -0.07550 -1.0 2.0
   38    33    39    45   0.20000  1.0 3.0
   38    41    47    49   3.62500 -1.0 2.0
   38    41    47    50   3.62500 -1.0 2.0
   41    38    70    59   3.62500 -1.0 2.0
   41    38    70    71   3.62500 -1.0 2.0
   41    47   -49    59   3.62500 -1.0 2.0
   41    47    49    60   3.62500 -1.0 2.0
   41    47    50    51   0.69950 -1.0 2.0
   41    47    50    52   0.69950 -1.0 2.0
   42    41    47    49   3.62500 -1.0 2.0
   42    41    47    50   3.62500 -1.0 2.0
   47    49    59    70   3.62500 -1.0 2.0
   47    49    59    72   3.62500 -1.0 2.0
   47    49    60    61   0.84100 -1.0 2.0
   49    47    50    51   0.69950 -1.0 2.0
   49    47    50    52   0.69950 -1.0 2.0
   49    59   -70    38   3.62500 -1.0 2.0
   49    59    70    71   3.62500 -1.0 2.0
   49    59    72    73   0.84100 -1.0 2.0
   59    49    60    61   0.84100 -1.0 2.0
   70    38    41    42   3.62500 -1.0 2.0
   70    38   -41    47   3.62500 -1.0 2.0
   70    59    72    73   0.84100 -1.0 2.0
   72    59    70    38   3.62500 -1.0 2.0
   72    59    70    71   3.62500 -1.0 2.0
   60    49    59    70   3.62500 -1.0 2.0
   60    49    59    72   3.62500 -1.0 2.0
   50    47    49    59   3.62500 -1.0 2.0
   50    47    49    60   3.62500 -1.0 2.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    70   0.04150 -1.0 2.0
   39    45    48    53   1.49850  1.0 1.0
   39    45    48    53   1.53950 -1.0 2.0
   39    45    48    56   1.49850  1.0 1.0
   39    45    48    56   1.53950 -1.0 2.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    48   0.00000  1.0 1.0
   43    39    45    46   0.30150 -1.0 2.0
   43    39    45    48   0.00000  1.0 1.0
   45    39    43    44   0.00000  1.0 1.0
   45    48    53    54   0.00000  1.0 1.0
   45    48    53    55   0.00000  1.0 1.0
   45    48    53    62  -0.43950  1.0 1.0
   45    48    53    62  -0.08100 -1.0 2.0
   45    48    53    62   0.03350  1.0 3.0
   45    48    56    57   0.00000  1.0 1.0
   45    48    56    58   0.00000  1.0 1.0
   45    48    56    66  -0.43950  1.0 1.0
   45    48    56    66  -0.08100 -1.0 2.0
   45    48    56    66   0.03350  1.0 3.0
   46    45    48    53   3.04450 -1.0 2.0
   46    45    48    56   3.04450 -1.0 2.0
   48    53    62    63   0.15000  1.0 3.0
   48    53    62    64   0.15000  1.0 3.0
   48    53    62    65   0.15000  1.0 3.0
   48    56    66    67   0.15000  1.0 3.0
   48    56    66    68   0.15000  1.0 3.0
   48    56    66    69   0.15000  1.0 3.0
   53    48    56    57   0.00000  1.0 1.0
   53    48    56    58   0.00000  1.0 1.0
   53    48    56    66  -0.05900 -1.0 2.0
   54    53    62    63   0.15000  1.0 3.0
   54    53    62    64   0.15000  1.0 3.0
   54    53    62    65   0.15000  1.0 3.0
   55    53    62    63   0.15000  1.0 3.0
   55    53    62    64   0.15000  1.0 3.0
   55    53    62    65   0.15000  1.0 3.0
   56    48    53    54   0.00000  1.0 1.0
   56    48    53    55   0.00000  1.0 1.0
   56    48    53    62  -0.05900 -1.0 2.0
   57    56    66    67   0.15000  1.0 3.0
   57    56    66    68   0.15000  1.0 3.0
   57    56    66    69   0.15000  1.0 3.0
   58    56    66    67   0.15000  1.0 3.0
   58    56    66    68   0.15000  1.0 3.0
   58    56    66    69   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
   41    70    38    33   4.00000 -1.0 2.0
   47    42    41    38   1.10000 -1.0 2.0
   49    50    47    41   4.00000 -1.0 2.0
   59    60    49    47   4.00000 -1.0 2.0
   70    72    59    49   4.00000 -1.0 2.0
   59    71    70    38   1.10000 -1.0 2.0
   52    47    50    51  10.50000 -1.0 2.0
   39    48    45    46  10.50000 -1.0 2.0
   56    45    48    53   1.00000 -1.0 2.0
END
