* LIGAND DATABASE FILE (OPLS2005)
*
001      73    73    133    188     381
    1     0 S   NP   _N1_     1    28.73610    95.12166   -20.51247
    2     1 S   H    _HN1     2     1.02962    91.54442    32.32851
    3     1 S   H    _H1_     3     1.02836    35.78573   149.90181
    4     1 S   H    _H2_     4     1.02777    83.14737   -75.96968
    5     1 S   CT   _CA1     5     1.50121   145.94147   163.76826
    6     5 S   HC   _HA1     6     1.09565   105.26660    50.52498
    7     5 S   CO3  _C1_     7     1.53856   112.42752   -69.80193
    8     7 S   O2Z  _O11     8     1.26364   114.97979   -41.16759
    9     7 S   O2Z  _O12     9     1.26240   114.99091   138.14096
   10     5 S   CT   _CB1    10     1.53118   107.44347   168.62113
   11    10 S   HC   HB11    11     1.09813   109.52829   -49.05444
   12    10 S   HC   HB12    12     1.09826   110.33813    67.59332
   13    10 S   CT   _CG1    13     1.52966   112.58540  -170.14950
   14    13 S   HC   HG11    14     1.09439   110.35478   -59.42020
   15    13 S   HC   HG12    15     1.09636   110.10512    59.50520
   16    13 S   C    _CD1    16     1.51801   112.27717   179.59749
   17    16 S   O    _OE1    17     1.22729   123.14958   -14.05718
   18    16 S   N    _N2_    18     1.38584   111.72814   167.17936
   19    18 S   H    _HN2    19     1.01582   119.00467    -0.06561
   20    18 S   CT1  _CA2    20     1.46119   123.48547   178.43102
   21    20 S   HC   _HA2    21     1.09744   109.39896   -12.33437
   22    20 S   C    _C2_    22     1.53501   107.91901  -127.70206
   23    22 S   O    _O2_    23     1.23008   122.32973  -144.20893
   24    20 S   CT   _CB2    32     1.53599   111.83107   110.02308
   25    24 S   HC   HB21    33     1.09391   109.53005    53.37000
   26    24 S   HC   HB22    34     1.09292   109.33868   171.74988
   27    22 S   N    _N3_    24     1.38534   113.33044    43.07412
   28    27 S   H    _HN3    25     1.01519   118.96183    -0.41731
   29    24 S   S    _SG2    35     1.83228   111.51059   -68.02613
   30    27 S   CT   _CA3    26     1.45449   123.35121   175.03908
   31    30 S   HC   HA31    27     1.09530   109.10851    26.66619
   32    30 S   HC   HA32    28     1.09491   107.14378   143.67095
   33    29 S   CT   _C8_    36     1.89670   102.10123  -174.53908
   34    30 S   CO3  _C3_    29     1.52946   113.24757   -96.70673
   35    34 S   O2Z  _O31    30     1.26393   115.48072   -42.11089
   36    34 S   O2Z  _O32    31     1.26367   114.92709   138.82718
   37    33 S   S    _S19    37     1.86801   104.49626   178.05318
   38    33 S   CT   _C13    46     1.55667   112.17201   -59.60697
   39    38 S   HC   _H37    47     1.09891   108.64003    60.58868
   40    37 S   CT   _C6_    38     1.80854    97.83051  -112.41877
   41    40 S   HC   _H21    39     1.09507   108.61043   -91.05904
   42    40 S   HC   _H22    40     1.09373   109.89580   151.03318
   43    38 S   CO4  _C4_    48     1.53026   113.70707   177.27768
   44    43 S   O    _O13    49     1.22339   125.16362    59.71457
   45    38 S   CO4  _C5_    61     1.52826   113.27221   -57.93326
   46    45 S   O    _O14    62     1.22427   124.48934   -90.14237
   47    40 S   CT   _C7_    41     1.51044   107.68301    29.78893
   48    47 S   HC   _H23    42     1.09506   112.12206    67.82074
   49    47 S   HC   _H24    43     1.09401   111.19413  -171.18971
   50    43 S   OS   _O16    50     1.36686   109.40211  -121.55172
   51    45 S   OS   _O17    63     1.36411   110.24617    90.51558
   52    33 S   SZ   _S20    44     1.88149   106.79931    63.39558
   53    52 S   OZ   _O15    45     1.49930   109.60680  -163.82280
   54    50 S   CT   _C14    51     1.44179   117.24888   179.70129
   55    54 S   HC   _H38    52     1.09665   110.20118   -36.46698
   56    51 S   CT   _C15    64     1.44258   117.27697  -179.43386
   57    56 S   HC   _H39    65     1.09666   109.94811   -40.78050
   58    54 S   CT   _C9_    53     1.52356   109.34856    85.05967
   59    58 S   HC   _H25    54     1.09563   110.93995    56.37762
   60    58 S   HC   _H26    55     1.09426   111.22826   177.55351
   61    58 S   HC   _H27    56     1.09490   110.82401   -61.84131
   62    54 S   CT   _C10    57     1.52290   107.19244  -154.54574
   63    62 S   HC   _H28    58     1.09568   111.07260   -58.67581
   64    62 S   HC   _H29    59     1.09419   111.34197   179.96044
   65    62 S   HC   _H30    60     1.09548   110.29182    59.34620
   66    56 S   CT   _C11    66     1.52411   109.71091    80.77308
   67    66 S   HC   _H31    67     1.09451   111.04734    55.09975
   68    66 S   HC   _H32    68     1.09402   111.17906   176.46404
   69    66 S   HC   _H33    69     1.09473   110.93148   -63.06745
   70    56 S   CT   _C12    70     1.52284   107.13751  -158.68123
   71    70 S   HC   _H34    71     1.09490   111.12250   -57.80542
   72    70 S   HC   _H35    72     1.09417   111.39773  -179.29196
   73    70 S   HC   _H36    73     1.09543   110.26161    60.09004
  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  10   5   4   3
  17   2   1   1  12  13   7   7   5   4  10   3   8   2   4   3
   2  10  10   1   1   9   8   9   8   7   3   2   1   3   2   1
   1   7   3   2   1   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    52    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    47    52    53    38    39    43    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    42    47    48    49    52    53    38    39    43    44    50    45    46    51  
   35    36  
   36  
    0  
   40    41    42    47    48    49    52    53    38    39    43    45  
   39    43    44    50    54    45    46    51    56    40    47    52    53  
   43    44    50    45    46    51    52  
   41    42    47    48    49    52    53  
   42    47    48    49    52  
   47    48    49    52  
   44    50    54    55    58    62    45    46    51    52  
   50    54    45  
   46    51    56    57    66    70    50    52  
   51    56  
   48    49    52    53  
   49    52    53  
   52    53  
   54    55    58    59    60    61    62    63    64    65  
   56    57    66    67    68    69    70    71    72    73  
   53  
    0  
   55    58    59    60    61    62    63    64    65  
   58    59    60    61    62    63    64    65  
   57    66    67    68    69    70    71    72    73  
   66    67    68    69    70    71    72    73  
   59    60    61    62    63    64    65  
   60    61    62  
   61    62  
   62  
   63    64    65  
   64    65  
   65  
    0  
   67    68    69    70    71    72    73  
   68    69    70  
   69    70  
   70  
   71    72    73  
   72    73  
   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   0.480000   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   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660   0.025000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5600   0.3950   0.170000   2.0080   1.7800   0.025682759  -1.666211680
   53   2.7000   0.2800  -0.460000   1.5350   1.3500   0.001000000  -0.126889456
   54   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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   222.000  1.810
   33    52   340.000  1.853
   33    38   268.000  1.529
   37    40   222.000  1.810
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   340.000  1.853
   52    53   700.000  1.530
   38    39   340.000  1.090
   38    43   317.000  1.522
   38    45   317.000  1.522
   43    44   570.000  1.229
   43    50   214.000  1.327
   50    54   320.000  1.410
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    62   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   45    46   570.000  1.229
   45    51   214.000  1.327
   51    56   320.000  1.410
   56    57   340.000  1.090
   56    66   268.000  1.529
   56    70   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   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  118.28000
   29    33    52    75.00000  118.00000
   29    33    38    75.00000  111.63000
   33    37    40    62.00000   98.90000
   33    52    47    62.00000   96.00000
   33    52    53    74.00000  107.00000
   33    38    39    37.50000  110.70000
   33    38    43    63.00000  111.10000
   33    38    45    63.00000  111.10000
   37    40    41    35.00000  109.50000
   37    40    42    35.00000  109.50000
   37    40    47    75.00000  111.63000
   40    47    48    37.50000  110.70000
   40    47    49    37.50000  110.70000
   40    47    52    75.00000  107.60000
   42    40    41    33.00000  107.80000
   47    40    41    37.50000  110.70000
   47    40    42    37.50000  110.70000
   47    52    53    74.00000  107.00000
   49    47    48    33.00000  107.80000
   52    33    37    75.00000  118.00000
   52    47    48    35.00000  109.50000
   52    47    49    35.00000  109.50000
   38    33    37    75.00000  111.63000
   38    33    52    75.00000  107.60000
   38    43    44    80.00000  120.40000
   38    43    50    81.00000  111.40000
   38    45    46    80.00000  120.40000
   38    45    51    81.00000  111.40000
   43    38    39    35.00000  109.50000
   43    50    54    83.00000  116.90000
   50    43    44    83.00000  123.40000
   50    54    55    35.00000  109.50000
   50    54    58    50.00000  109.50000
   50    54    62    50.00000  109.50000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    61    37.50000  110.70000
   54    62    63    37.50000  110.70000
   54    62    64    37.50000  110.70000
   54    62    65    37.50000  110.70000
   58    54    55    37.50000  110.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    54    55    37.50000  110.70000
   62    54    58    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   45    38    39    35.00000  109.50000
   45    38    43    75.00000  107.99600
   45    51    56    83.00000  116.90000
   51    45    46    83.00000  123.40000
   51    56    57    35.00000  109.50000
   51    56    66    50.00000  109.50000
   51    56    70    50.00000  109.50000
   56    66    67    37.50000  110.70000
   56    66    68    37.50000  110.70000
   56    66    69    37.50000  110.70000
   56    70    71    37.50000  110.70000
   56    70    72    37.50000  110.70000
   56    70    73    37.50000  110.70000
   66    56    57    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
   70    56    57    37.50000  110.70000
   70    56    66    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    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   0.08500  1.0 1.0
   24    29    33    37  -0.53150 -1.0 2.0
   24    29    33    37   0.48050  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.08500  1.0 1.0
   29    33    37    40  -0.53150 -1.0 2.0
   29    33    37    40   0.48050  1.0 3.0
   29    33    52    47   0.00000  1.0 1.0
   29    33    52    53   0.00000  1.0 1.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   33    37    40    41   0.32350  1.0 3.0
   33    37    40    42   0.32350  1.0 3.0
   33    37   -40    47   0.01700  1.0 1.0
   33    37   -40    47  -0.23550 -1.0 2.0
   33    37   -40    47   0.21350  1.0 3.0
   33    38    43    44   0.30150 -1.0 2.0
   33    38    43    50   0.36750  1.0 3.0
   33    38    45    46   0.30150 -1.0 2.0
   33    38    45    51   0.36750  1.0 3.0
   37    33   -52    47   0.00000  1.0 1.0
   37    33    52    53   0.00000  1.0 1.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    43   0.56750  1.0 1.0
   37    33    38    43  -0.07550 -1.0 2.0
   37    33    38    43   0.20000  1.0 3.0
   37    33    38    45   0.56750  1.0 1.0
   37    33    38    45  -0.07550 -1.0 2.0
   37    33    38    45   0.20000  1.0 3.0
   37    40    47    48   0.15000  1.0 3.0
   37    40    47    49   0.15000  1.0 3.0
   37    40   -47    52   0.56750  1.0 1.0
   37    40   -47    52  -0.07550 -1.0 2.0
   37    40   -47    52   0.20000  1.0 3.0
   40    47   -52    33   0.00000  1.0 1.0
   40    47    52    53   0.00000  1.0 1.0
   41    40    47    48   0.15000  1.0 3.0
   41    40    47    49   0.15000  1.0 3.0
   41    40    47    52   0.15000  1.0 3.0
   42    40    47    48   0.15000  1.0 3.0
   42    40    47    49   0.15000  1.0 3.0
   42    40    47    52   0.15000  1.0 3.0
   48    47    52    33   0.53150  1.0 3.0
   48    47    52    53  -0.07200  1.0 3.0
   49    47    52    33   0.53150  1.0 3.0
   49    47    52    53  -0.07200  1.0 3.0
   52    33   -37    40   0.01700  1.0 1.0
   52    33   -37    40  -0.23550 -1.0 2.0
   52    33   -37    40   0.21350  1.0 3.0
   52    33    38    39   0.15000  1.0 3.0
   52    33    38    43   0.56750  1.0 1.0
   52    33    38    43  -0.07550 -1.0 2.0
   52    33    38    43   0.20000  1.0 3.0
   52    33    38    45   0.56750  1.0 1.0
   52    33    38    45  -0.07550 -1.0 2.0
   52    33    38    45   0.20000  1.0 3.0
   38    33    37    40   0.01700  1.0 1.0
   38    33    37    40  -0.23550 -1.0 2.0
   38    33    37    40   0.21350  1.0 3.0
   38    33    52    47   0.00000  1.0 1.0
   38    33    52    53   0.00000  1.0 1.0
   38    43    50    54   1.63150  1.0 1.0
   38    43    50    54   2.92000 -1.0 2.0
   38    45    51    56   1.63150  1.0 1.0
   38    45    51    56   2.92000 -1.0 2.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    50   0.00000  1.0 1.0
   39    38    45    46   0.00000  1.0 1.0
   39    38    45    51   0.00000  1.0 1.0
   43    38    45    46   0.30150 -1.0 2.0
   43    38    45    51   0.40000  1.0 3.0
   43    50    54    55   0.08050  1.0 3.0
   43    50    54    58  -0.25900  1.0 1.0
   43    50    54    58  -0.47000 -1.0 2.0
   43    50    54    58   0.11750  1.0 3.0
   43    50    54    62  -0.25900  1.0 1.0
   43    50    54    62  -0.47000 -1.0 2.0
   43    50    54    62   0.11750  1.0 3.0
   44    43    50    54   3.00000 -1.0 2.0
   50    54    58    59   0.23400  1.0 3.0
   50    54    58    60   0.23400  1.0 3.0
   50    54    58    61   0.23400  1.0 3.0
   50    54    62    63   0.23400  1.0 3.0
   50    54    62    64   0.23400  1.0 3.0
   50    54    62    65   0.23400  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    60   0.15000  1.0 3.0
   55    54    58    61   0.15000  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    64   0.15000  1.0 3.0
   55    54    62    65   0.15000  1.0 3.0
   58    54    62    63   0.15000  1.0 3.0
   58    54    62    64   0.15000  1.0 3.0
   58    54    62    65   0.15000  1.0 3.0
   62    54    58    59   0.15000  1.0 3.0
   62    54    58    60   0.15000  1.0 3.0
   62    54    58    61   0.15000  1.0 3.0
   45    38    43    44   0.30150 -1.0 2.0
   45    38    43    50   0.40000  1.0 3.0
   45    51    56    57   0.08050  1.0 3.0
   45    51    56    66  -0.25900  1.0 1.0
   45    51    56    66  -0.47000 -1.0 2.0
   45    51    56    66   0.11750  1.0 3.0
   45    51    56    70  -0.25900  1.0 1.0
   45    51    56    70  -0.47000 -1.0 2.0
   45    51    56    70   0.11750  1.0 3.0
   46    45    51    56   3.00000 -1.0 2.0
   51    56    66    67   0.23400  1.0 3.0
   51    56    66    68   0.23400  1.0 3.0
   51    56    66    69   0.23400  1.0 3.0
   51    56    70    71   0.23400  1.0 3.0
   51    56    70    72   0.23400  1.0 3.0
   51    56    70    73   0.23400  1.0 3.0
   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
   57    56    70    71   0.15000  1.0 3.0
   57    56    70    72   0.15000  1.0 3.0
   57    56    70    73   0.15000  1.0 3.0
   66    56    70    71   0.15000  1.0 3.0
   66    56    70    72   0.15000  1.0 3.0
   66    56    70    73   0.15000  1.0 3.0
   70    56    66    67   0.15000  1.0 3.0
   70    56    66    68   0.15000  1.0 3.0
   70    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
   36    30    34    35  10.50000 -1.0 2.0
   38    50    43    44  10.50000 -1.0 2.0
   38    51    45    46  10.50000 -1.0 2.0
END
