* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    140    214     405
    1     0 S   NP   _N1_     1    28.74492    96.74420   -23.97917
    2     1 S   H    _HN1     2     1.02951    70.31363     7.30009
    3     1 S   H    _H1_     3     1.02827    38.48012   169.35661
    4     1 S   H    _H2_     4     1.02784   109.33755   -95.94436
    5     1 S   CT   _CA1     5     1.50117   135.23869   106.77722
    6     5 S   HC   _HA1     6     1.09574   105.19145    95.41006
    7     5 S   CO3  _C1_     7     1.53783   112.46793   -24.79988
    8     7 S   O2Z  _O11     8     1.26369   115.00296   -42.32069
    9     7 S   O2Z  _O12     9     1.26242   114.94674   136.80353
   10     5 S   CT   _CB1    10     1.53081   107.41451  -146.62816
   11    10 S   HC   HB11    11     1.09832   109.33949   -49.93082
   12    10 S   HC   HB12    12     1.09813   110.45609    66.66785
   13    10 S   CT   _CG1    13     1.52988   112.61955  -170.92732
   14    13 S   HC   HG11    14     1.09583   110.61129   -65.97656
   15    13 S   HC   HG12    15     1.09672   109.79576    53.25017
   16    13 S   C    _CD1    16     1.51805   112.25132   173.66835
   17    16 S   O    _OE1    17     1.22729   123.30086     6.31441
   18    16 S   N    _N2_    18     1.38658   111.65590  -173.68391
   19    18 S   H    _HN2    19     1.01579   118.92153     1.63530
   20    18 S   CT1  _CA2    20     1.46187   123.39950   177.30514
   21    20 S   HC   _HA2    21     1.09737   109.37844     2.94437
   22    20 S   C    _C2_    22     1.53578   108.61942  -112.53185
   23    22 S   O    _O2_    23     1.23064   122.27965  -147.90531
   24    20 S   CT   _CB2    32     1.53421   111.64514   124.99284
   25    24 S   HC   HB21    33     1.09511   109.66757    55.67254
   26    24 S   HC   HB22    34     1.09413   109.77977   174.54289
   27    22 S   N    _N3_    24     1.38323   113.72264    39.54046
   28    27 S   H    _HN3    25     1.01582   119.59869    -3.30861
   29    24 S   S    _SG2    35     1.83196   111.28743   -64.87019
   30    27 S   CT   _CA3    26     1.45287   123.20863   177.13310
   31    30 S   HC   HA31    27     1.09549   107.50960   -64.58980
   32    30 S   HC   HA32    28     1.09557   107.98630    51.84891
   33    29 S   CT   _C13    36     1.88057   101.59808  -169.26600
   34    30 S   CO3  _C3_    29     1.52959   114.07982   173.84639
   35    34 S   O2Z  _O31    30     1.26377   116.06622    -0.68756
   36    34 S   O2Z  _O32    31     1.26428   114.41172   179.37224
   37    33 S   CM   _C12    37     1.52652   106.95685    67.71068
   38    37 S   HC   _H11    38     1.09312   114.37051    24.04783
   39    33 S   CT   _C14    65     1.53336   107.84764   -56.87118
   40    39 S   HC   _H12    66     1.09642   112.12150   -48.01286
   41    39 S   HC   _H13    67     1.09268   111.86538  -167.16002
   42    39 S   HC   _H14    68     1.09295   111.92638    72.14863
   43    33 S   CT   _C15    69     1.54714   107.23604  -176.72296
   44    43 S   HC   _H15    70     1.09842   111.01102   -63.62742
   45    43 S   HC   _H16    71     1.09630   110.14558   178.55775
   46    37 S   CM   _C11    39     1.34542   132.40300  -158.71594
   47    46 S   HC   _H10    40     1.09106   114.47661  -178.38154
   48    43 S   CO4  _C16    72     1.51233   115.14780    59.19590
   49    48 S   O    _O35    73     1.22745   123.21815  -124.10602
   50    48 S   HC   _H17    74     1.10248   116.21957    58.64982
   51    46 S   C3T  _C10    41     1.48483   132.46071    -1.92631
   52    51 S   CT   _C9_    42     1.54791   117.28580   113.78604
   53    51 S   O3T  _O34    52     1.43863   122.19246   -36.58938
   54    52 S   CT   _C8_    43     1.54436   111.19306   176.32773
   55    54 S   HC   _H8_    44     1.09711   110.58209  -177.01102
   56    54 S   HC   _H9_    45     1.09676   111.80560    63.82982
   57    52 S   CT   _C17    57     1.54687   110.39856    55.32532
   58    57 S   HC   _H18    58     1.09576   111.54613   -67.00918
   59    57 S   HC   _H19    59     1.09602   111.20690   173.52625
   60    57 S   HC   _H20    60     1.09554   111.66182    52.89227
   61    52 S   CT   _C18    61     1.53904   111.03408   -64.53323
   62    61 S   HC   _H21    62     1.09505   111.76114    59.44618
   63    61 S   HC   _H22    63     1.09481   111.02823   -61.30512
   64    61 S   HC   _H23    64     1.09629   111.15038   179.25192
   65    54 S   CO4  _C7_    46     1.50699   111.23582   -56.54661
   66    65 S   O    _O33    47     1.23192   121.03220  -131.19750
   67    65 S   CT   _C6_    48     1.50523   117.94239    53.43904
   68    67 S   HC   _H6_    49     1.09603   107.56115    99.43070
   69    67 S   HC   _H7_    50     1.09646   106.95683  -144.56878
   70    51 S   C3T  _C5_    51     1.55201   115.60600  -102.30376
   71    70 S   CT   _C4_    53     1.50399   122.04940    14.86234
   72    71 S   HC   _H3_    54     1.09273   113.15970    28.43429
   73    71 S   HC   _H4_    55     1.09480   109.91090   -92.29930
   74    71 S   HC   _H5_    56     1.09532   110.35970   148.54278
  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  12   5   4   3
  15   2   1   1  15   5   8   3   2   1   6   4   3  10   4   2
   1   1  22  17  12  16   6   5   9   3   2   1   5   2   1   1
   6   4   7   3   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    39    40    41    42    43    44    45    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    51    39    40    41    42    43    44    45    48    49    50  
   35    36  
   36  
    0  
   38    46    47    51    52    70    53    39    40    41    42    43    44    45    48  
   46    47    51    39    43  
   40    41    42    43    44    45    48    46  
   41    42    43  
   42    43  
   43  
   44    45    48    49    50    46  
   45    48    49    50  
   48    49    50  
   47    51    52    54    67    70    53    71    57    61  
   51    52    70    53  
   49    50  
   50  
    0  
   52    54    55    56    65    67    68    69    70    53    71    72    73    74    57    58    59    60    61    62    63    64  
   54    55    56    65    66    67    70    53    71    57    58    59    60    61    62    63    64  
   71    72    73    74    57    61    54    65    67    68    69    70  
   55    56    65    66    67    68    69    70    57    58    59    60    61    62    63    64  
   56    65    66    67    57    61  
   65    66    67    57    61  
   58    59    60    61    62    63    64    65    70  
   59    60    61  
   60    61  
   61  
   62    63    64    65    70  
   63    64  
   64  
    0  
   66    67    68    69    70    71  
   67    68    69    70  
   68    69    70    71    72    73    74  
   69    70    71  
   70    71  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    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   0.167500   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   50   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   74   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   317.000  1.510
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    46   549.000  1.340
   46    47   340.000  1.080
   46    51   305.000  1.480
   51    52   275.000  1.510
   51    70   260.000  1.509
   51    53   335.000  1.432
   52    54   268.000  1.529
   52    57   268.000  1.529
   52    61   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    65   317.000  1.522
   65    66   570.000  1.229
   65    67   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   275.000  1.510
   70    53   335.000  1.432
   70    71   275.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.522
   48    49   570.000  1.229
   48    50   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  112.20000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    46    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    48    63.00000  111.10000
   37    46    47    35.00000  120.00000
   37    46    51    55.00000  125.06700
   46    37    38    35.00000  120.00000
   46    51    52    65.00000  117.55000
   46    51    70    60.00000  120.58800
   46    51    53    85.00000  114.23300
   51    46    47    40.00000  117.24000
   51    52    54    70.00000  112.37300
   51    52    57    70.00000  112.37300
   51    52    61    70.00000  112.37300
   51    70    67    60.00000  120.94000
   51    70    53    15.00000   60.43100
   51    70    71    60.00000  120.94000
   51    53    70    15.00000   59.14900
   52    54    55    37.50000  110.70000
   52    54    56    37.50000  110.70000
   52    54    65    63.00000  111.10000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    60    37.50000  110.70000
   52    61    62    37.50000  110.70000
   52    61    63    37.50000  110.70000
   52    61    64    37.50000  110.70000
   54    65    66    80.00000  120.40000
   54    65    67    70.00000  116.00000
   56    54    55    33.00000  107.80000
   65    54    55    35.00000  109.50000
   65    54    56    35.00000  109.50000
   65    67    68    35.00000  109.50000
   65    67    69    35.00000  109.50000
   65    67    70    63.00000  111.10000
   67    65    66    80.00000  120.40000
   67    70    53    80.00000  116.47100
   67    70    71    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    51    52    60.00000  120.94000
   70    67    68    45.00000  109.38400
   70    67    69    45.00000  109.38400
   70    71    72    45.00000  109.38400
   70    71    73    45.00000  109.38400
   70    71    74    45.00000  109.38400
   53    51    52    80.00000  116.47100
   53    51    70    15.00000   60.43100
   71    70    53    80.00000  116.47100
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   57    52    54    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    52    54    58.35000  112.70000
   61    52    57    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   43    48    49    80.00000  120.40000
   43    48    50    35.00000  115.00000
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   50    48    49    35.00000  123.00000
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    46   0.42700  1.0 1.0
   29    33    37    46  -0.70350 -1.0 2.0
   29    33    37    46  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    48   0.56750  1.0 1.0
   29    33    43    48  -0.07550 -1.0 2.0
   29    33    43    48   0.20000  1.0 3.0
   33    37    46    47   7.00000 -1.0 2.0
   33    37    46    51   7.00000 -1.0 2.0
   33    43    48    49   0.30150 -1.0 2.0
   33    43    48    50   0.74550  1.0 1.0
   33    43    48    50  -0.00500 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    48  -0.98800  1.0 1.0
   37    33    43    48   0.48800 -1.0 2.0
   37    33    43    48   0.76800  1.0 3.0
   37    46    51    52   0.09850  1.0 1.0
   37    46    51    52   0.15250 -1.0 2.0
   37    46    51    52  -0.50650  1.0 3.0
   37    46    51    70   0.09850  1.0 1.0
   37    46    51    70   0.15250 -1.0 2.0
   37    46    51    70  -0.50650  1.0 3.0
   37    46    51    53   0.39000  1.0 1.0
   37    46    51    53  -0.05800 -1.0 2.0
   37    46    51    53  -0.55150  1.0 3.0
   38    37    46    47   7.00000 -1.0 2.0
   38    37    46    51   7.00000 -1.0 2.0
   46    51    52    54   0.34400  1.0 1.0
   46    51    52    54   0.09450 -1.0 2.0
   46    51    52    54   0.11100  1.0 3.0
   46    51    52    57   0.34400  1.0 1.0
   46    51    52    57   0.09450 -1.0 2.0
   46    51    52    57   0.11100  1.0 3.0
   46    51    52    61   0.34400  1.0 1.0
   46    51    52    61   0.09450 -1.0 2.0
   46    51    52    61   0.11100  1.0 3.0
   46    51    70    67   0.34400  1.0 1.0
   46    51    70    67   0.09450 -1.0 2.0
   46    51    70    67   0.11100  1.0 3.0
   46    51   -70    53   0.61850  1.0 1.0
   46    51   -70    53  -0.22750 -1.0 2.0
   46    51   -70    53   0.15300  1.0 3.0
   46    51    70    71   0.34400  1.0 1.0
   46    51    70    71   0.09450 -1.0 2.0
   46    51    70    71   0.11100  1.0 3.0
   46    51   -53    70  -0.77900  1.0 1.0
   46    51   -53    70  -0.36900 -1.0 2.0
   46    51   -53    70   0.40400  1.0 3.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    70   0.00000  1.0 1.0
   47    46    51    53   0.00000  1.0 1.0
   51    52    54    55   0.15000  1.0 3.0
   51    52    54    56   0.15000  1.0 3.0
   51    52    54    65  -0.95700  1.0 1.0
   51    52    54    65  -0.18200 -1.0 2.0
   51    52    54    65   0.29450  1.0 3.0
   51    52    57    58   0.15000  1.0 3.0
   51    52    57    59   0.15000  1.0 3.0
   51    52    57    60   0.15000  1.0 3.0
   51    52    61    62   0.15000  1.0 3.0
   51    52    61    63   0.15000  1.0 3.0
   51    52    61    64   0.15000  1.0 3.0
   51    70    71    72   0.15000  1.0 3.0
   51    70    71    73   0.15000  1.0 3.0
   51    70    71    74   0.15000  1.0 3.0
   52    51    70    67   0.56750  1.0 1.0
   52    51    70    67  -0.07550 -1.0 2.0
   52    51    70    67   0.20000  1.0 3.0
   52    51   -70    53   0.02550  1.0 1.0
   52    51   -70    53  -0.02600 -1.0 2.0
   52    51   -70    53   1.20400  1.0 3.0
   52    51    70    71   0.56750  1.0 1.0
   52    51    70    71  -0.07550 -1.0 2.0
   52    51    70    71   0.20000  1.0 3.0
   52    51   -53    70   0.06250  1.0 1.0
   52    51   -53    70  -0.01100 -1.0 2.0
   52    51   -53    70   0.28050  1.0 3.0
   52    54    65    66   0.30150 -1.0 2.0
   52    54   -65    67   0.60050  1.0 1.0
   52    54   -65    67   0.05600 -1.0 2.0
   52    54   -65    67   0.26150  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    59   0.15000  1.0 3.0
   54    52    57    60   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
   54    65    67    68   0.00000  1.0 1.0
   54    65    67    69   0.00000  1.0 1.0
   54    65    67    70   0.60050  1.0 1.0
   54    65    67    70   0.05600 -1.0 2.0
   54    65    67    70   0.26150  1.0 3.0
   55    54    65    66   0.00000  1.0 1.0
   55    54    65    67   0.00000  1.0 1.0
   56    54    65    66   0.00000  1.0 1.0
   56    54    65    67   0.00000  1.0 1.0
   65    67   -70    51  -0.95700  1.0 1.0
   65    67   -70    51  -0.18200 -1.0 2.0
   65    67   -70    51   0.29450  1.0 3.0
   65    67    70    53  -0.09450  1.0 1.0
   65    67    70    53  -1.12950 -1.0 2.0
   65    67    70    53   0.54000  1.0 3.0
   65    67    70    71  -0.95700  1.0 1.0
   65    67    70    71  -0.18200 -1.0 2.0
   65    67    70    71   0.29450  1.0 3.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    69   0.00000  1.0 1.0
   66    65    67    70   0.30150 -1.0 2.0
   67    70   -53    51   0.06250  1.0 1.0
   67    70   -53    51  -0.01100 -1.0 2.0
   67    70   -53    51   0.28050  1.0 3.0
   67    70    71    72   0.15000  1.0 3.0
   67    70    71    73   0.15000  1.0 3.0
   67    70    71    74   0.15000  1.0 3.0
   68    67    70    51   0.15000  1.0 3.0
   68    67    70    53   0.23400  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   69    67    70    51   0.15000  1.0 3.0
   69    67    70    53   0.23400  1.0 3.0
   69    67    70    71   0.15000  1.0 3.0
   70    51   -52    54   0.07850  1.0 1.0
   70    51   -52    54  -0.03950 -1.0 2.0
   70    51   -52    54   0.67350  1.0 3.0
   70    51    52    57   0.07850  1.0 1.0
   70    51    52    57  -0.03950 -1.0 2.0
   70    51    52    57   0.67350  1.0 3.0
   70    51    52    61   0.07850  1.0 1.0
   70    51    52    61  -0.03950 -1.0 2.0
   70    51    52    61   0.67350  1.0 3.0
   53    51    52    54   0.02550  1.0 1.0
   53    51    52    54  -0.02600 -1.0 2.0
   53    51    52    54   1.20400  1.0 3.0
   53    51    52    57   0.02550  1.0 1.0
   53    51    52    57  -0.02600 -1.0 2.0
   53    51    52    57   1.20400  1.0 3.0
   53    51    52    61   0.02550  1.0 1.0
   53    51    52    61  -0.02600 -1.0 2.0
   53    51    52    61   1.20400  1.0 3.0
   53    51   -70    67   0.02550  1.0 1.0
   53    51   -70    67  -0.02600 -1.0 2.0
   53    51   -70    67   1.20400  1.0 3.0
   53    51   -70    71   0.02550  1.0 1.0
   53    51   -70    71  -0.02600 -1.0 2.0
   53    51   -70    71   1.20400  1.0 3.0
   53    70    71    72   0.23400  1.0 3.0
   53    70    71    73   0.23400  1.0 3.0
   53    70    71    74   0.23400  1.0 3.0
   71    70   -53    51   0.06250  1.0 1.0
   71    70   -53    51  -0.01100 -1.0 2.0
   71    70   -53    51   0.28050  1.0 3.0
   57    52    54    55   0.15000  1.0 3.0
   57    52    54    56   0.15000  1.0 3.0
   57    52    54    65  -0.95700  1.0 1.0
   57    52    54    65  -0.18200 -1.0 2.0
   57    52    54    65   0.29450  1.0 3.0
   57    52    61    62   0.15000  1.0 3.0
   57    52    61    63   0.15000  1.0 3.0
   57    52    61    64   0.15000  1.0 3.0
   61    52    54    55   0.15000  1.0 3.0
   61    52    54    56   0.15000  1.0 3.0
   61    52    54    65  -0.95700  1.0 1.0
   61    52    54    65  -0.18200 -1.0 2.0
   61    52    54    65   0.29450  1.0 3.0
   61    52    57    58   0.15000  1.0 3.0
   61    52    57    59   0.15000  1.0 3.0
   61    52    57    60   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    46   0.09850  1.0 1.0
   39    33    37    46   0.15250 -1.0 2.0
   39    33    37    46  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    48  -0.95700  1.0 1.0
   39    33    43    48  -0.18200 -1.0 2.0
   39    33    43    48   0.29450  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    46   0.09850  1.0 1.0
   43    33    37    46   0.15250 -1.0 2.0
   43    33    37    46  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50   0.00000  1.0 1.0
   45    43    48    49   0.00000  1.0 1.0
   45    43    48    50   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    46  15.00000 -1.0 2.0
   51    47    46    37  15.00000 -1.0 2.0
   54    67    65    66  10.50000 -1.0 2.0
   43    50    48    49  10.50000 -1.0 2.0
END
