* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    134    201     383
    1     0 S   NP   _N1_     1    29.91572    91.19943   -25.20518
    2     1 S   H    _HN1     2     1.02949    97.85578    20.14521
    3     1 S   H    _H1_     3     1.02828    12.83961  -116.68666
    4     1 S   H    _H2_     4     1.02792   120.01819   -96.40774
    5     1 S   CT   _CA1     5     1.50117   107.01328   134.37261
    6     5 S   HC   _HA1     6     1.09574   105.18547    72.18600
    7     5 S   CO3  _C1_     7     1.53778   112.47879   -48.04395
    8     7 S   O2Z  _O11     8     1.26373   115.01001   -42.47550
    9     7 S   O2Z  _O12     9     1.26241   114.94362   136.63651
   10     5 S   CT   _CB1    10     1.53067   107.41181  -169.84117
   11    10 S   HC   HB11    11     1.09836   109.34603   -49.70299
   12    10 S   HC   HB12    12     1.09813   110.45938    66.89570
   13    10 S   CT   _CG1    13     1.52998   112.62228  -170.67306
   14    13 S   HC   HG11    14     1.09579   110.66125   -66.29104
   15    13 S   HC   HG12    15     1.09670   109.76328    52.95341
   16    13 S   C    _CD1    16     1.51794   112.15055   173.40213
   17    16 S   O    _OE1    17     1.22743   123.23630     8.39854
   18    16 S   N    _N2_    18     1.38621   111.72063  -171.63048
   19    18 S   H    _HN2    19     1.01565   118.97107     1.52880
   20    18 S   CT1  _CA2    20     1.46219   123.41973   177.23388
   21    20 S   HC   _HA2    21     1.09703   109.34339     5.59454
   22    20 S   C    _C2_    22     1.53518   108.06455  -109.94710
   23    22 S   O    _O2_    23     1.23038   122.52343  -141.63571
   24    20 S   CT   _CB2    32     1.53185   111.67169   127.65325
   25    24 S   HC   HB21    33     1.09598   110.33870    56.15645
   26    24 S   HC   HB22    34     1.09455   109.99128   175.21877
   27    22 S   N    _N3_    24     1.38409   113.49660    45.19835
   28    27 S   H    _HN3    25     1.01565   119.61250    -2.13368
   29    24 S   S    _SG2    35     1.82651   111.53627   -64.46536
   30    27 S   CT   _CA3    26     1.45266   123.16587   177.29101
   31    30 S   HC   HA31    27     1.09550   107.39800   -67.24342
   32    30 S   HC   HA32    28     1.09557   108.11083    49.20705
   33    29 S   CT   _C19    36     1.86118    99.30356  -175.73290
   34    33 S   HC   _H3_    37     1.09933   106.15934    -9.65989
   35    30 S   CO3  _C3_    29     1.52958   114.10983   171.30448
   36    35 S   O2Z  _O31    30     1.26376   116.11771    -0.69464
   37    35 S   O2Z  _O32    31     1.26437   114.40938   179.40686
   38    33 S   CT   _C18    38     1.54926   106.83565   105.25640
   39    38 S   HC   _H38    39     1.09840   110.48246    55.68369
   40    38 S   HC   _H39    40     1.09516   109.90967   175.61617
   41    33 S   CT   _C20    65     1.57199   112.13436  -128.44085
   42    41 S   OM   _O18    66     1.32525   108.45399   172.41418
   43    38 S   OS   _O23    41     1.43620   109.15134   -67.10088
   44    41 S   CT   _C15    67     1.54754   111.77251    55.45158
   45    44 S   HC   _H29    68     1.09818   111.76951    51.05494
   46    44 S   HC   _H30    69     1.09908   112.08706   171.38735
   47    44 S   HC   _H31    70     1.09574   111.76586   -69.49407
   48    41 S   CT   _C16    71     1.54228   113.21695   -68.02159
   49    48 S   HC   _H32    72     1.09727   112.56853   -60.28466
   50    48 S   HC   _H33    73     1.09882   111.70962   179.72164
   51    48 S   HC   _H34    74     1.09560   111.43509    60.54560
   52    43 S   CA   _C11    42     1.37758   113.87560   152.98901
   53    52 S   C56A _C8_    43     1.39836   125.67756    46.17467
   54    53 S   C56B _C6_    44     1.39388   123.70974   177.73557
   55    54 S   C5B  _C4_    45     1.42259   105.76032   178.62072
   56    55 S   HA   _H25    46     1.08078   127.47913  -179.41617
   57    54 S   CA   _C10    50     1.41264   118.62162    -1.30955
   58    55 S   C5A  _C5_    47     1.37387   106.49106     1.21466
   59    58 S   HA   _H26    48     1.08033   133.79072   179.52936
   60    57 S   CA   _C7_    51     1.40863   119.61255     1.60132
   61    57 S   OS   _O22    60     1.37952   120.59371   177.92585
   62    53 S   OA   _O20    49     1.36450   126.48389    -2.01548
   63    52 S   CA   _C9_    52     1.40274   118.36806  -137.44995
   64    61 S   CT   _C17    61     1.42829   110.16380    82.53065
   65    64 S   HC   _H35    62     1.09409   107.75894   173.29185
   66    64 S   HC   _H36    63     1.09581   111.46171    54.97531
   67    64 S   HC   _H37    64     1.09464   111.22556   -68.56802
   68    63 S   OS   _O21    53     1.41846   116.93799     2.59390
   69    68 S   CO4  _C14    54     1.38791   122.50082   178.45149
   70    69 S   O    _O19    55     1.22543   122.34410   180.00000
   71    69 S   CM   _C13    56     1.47082   116.42296    -0.06853
   72    71 S   HC   _H28    57     1.08427   117.16262  -179.59700
   73    60 S   CM   _C12    58     1.45919   122.68374   178.13554
   74    73 S   HC   _H27    59     1.08452   119.11461    -0.88293
  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
  16   8   2   1   1  10   4   3  10   8   7   7   3   2   1   3
   2   1   1  11  11  11   7   4  13   2   1   9   6   1   6   3
   2   1   1   5   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    41    42    44    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    52    41    42    44    45    46    47    48    49    50    51  
   38    39    40    43    41    42    44    48  
   36    37  
   37  
    0  
   39    40    43    52    53    63    41    42    44    48  
   40    43    52    41  
   43    52    41  
   42    44    45    46    47    48    49    50    51    43  
   44    45    46    47    48    49    50    51  
   52    53    54    62    60    63    68  
   45    46    47    48    49    50    51  
   46    47    48  
   47    48  
   48  
   49    50    51  
   50    51  
   51  
    0  
   53    54    55    58    62    57    60    63    68    69    73  
   54    55    56    58    59    62    57    60    63    68    61  
   55    56    58    59    62    57    60    63    73    61    64  
   56    58    59    62    57    60    61  
   58    59    62    57  
   60    63    68    71    73    74    61    64    65    66    67    58    62  
   59    62  
   62  
   63    68    69    71    72    73    74    61    64  
   64    65    66    67    63    73  
   63  
   68    69    70    71    73    74  
   65    66    67  
   66    67  
   67  
    0  
   69    70    71    72    73  
   70    71    72    73    74  
   71    72    73  
   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   0.107500   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.029000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.323000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.258100   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.514600   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.241900   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.010800   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700   0.079700   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.171600   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700  -0.035400   2.5000   1.7750   0.001000000  -0.843144165
   61   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.0000   0.1700  -0.311500   1.7000   1.5000   0.001000000  -0.126889456
   63   3.5500   0.0700   0.127000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.0000   0.1700  -0.180000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   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    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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   320.000  1.410
   43    52   450.000  1.364
   52    53   469.000  1.400
   52    63   469.000  1.400
   53    54   447.000  1.419
   53    62   425.000  1.380
   54    55   380.000  1.440
   54    57   469.000  1.404
   55    56   367.000  1.080
   55    58   520.000  1.370
   58    59   367.000  1.080
   58    62   340.000  1.360
   57    60   469.000  1.400
   57    61   450.000  1.364
   60    63   469.000  1.400
   60    73   320.000  1.460
   63    68   450.000  1.364
   68    69   214.000  1.327
   69    70   570.000  1.229
   69    71   320.000  1.462
   71    72   340.000  1.080
   71    73   549.000  1.340
   73    74   340.000  1.080
   61    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   41    42   570.000  1.307
   41    44   268.000  1.529
   41    48   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    50.00000  109.50000
   33    41    42    50.00000  109.50000
   33    41    44    58.35000  112.70000
   33    41    48    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    52    75.00000  111.00000
   40    38    39    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    35.00000  109.50000
   43    52    53    70.00000  120.00000
   43    52    63    70.00000  120.00000
   52    53    54    85.00000  122.70000
   52    53    62    70.00000  124.10000
   52    63    60    63.00000  120.00000
   52    63    68    70.00000  120.00000
   53    54    55    80.00000  107.43600
   53    54    57    85.00000  116.20000
   53    62    58   110.00000  105.28000
   54    55    56    35.00000  127.20800
   54    55    58    80.00000  105.82900
   54    57    60    63.00000  120.00000
   54    57    61    70.00000  120.00000
   55    58    59    35.00000  130.70000
   55    58    62    70.00000  108.00000
   58    55    56    35.00000  128.20000
   62    53    54   100.00000  108.43400
   62    58    59    35.00000  113.40000
   57    54    55    50.00000  134.85500
   57    60    63    63.00000  120.00000
   57    60    73    60.00000  120.93500
   57    61    64    75.00000  111.00000
   60    63    68    70.00000  120.00000
   60    73    71    60.00000  123.20500
   60    73    74    40.00000  117.26300
   63    52    53    85.00000  120.00000
   63    68    69    85.00000  115.98000
   68    69    70    83.00000  123.40000
   68    69    71    90.00000  111.29400
   69    71    72    40.00000  117.72500
   69    71    73    65.00000  118.96000
   71    69    70    80.00000  123.72100
   71    73    74    35.00000  120.00000
   73    60    63    60.00000  120.93500
   73    71    72    35.00000  120.00000
   61    57    60    70.00000  120.00000
   61    64    65    35.00000  109.50000
   61    64    66    35.00000  109.50000
   61    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    47    37.50000  110.70000
   41    48    49    37.50000  110.70000
   41    48    50    37.50000  110.70000
   41    48    51    37.50000  110.70000
   44    41    42    50.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    41    42    50.00000  109.50000
   48    41    44    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    39   0.15000  1.0 3.0
   29    33    38    40   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    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    44   0.44750  1.0 1.0
   29    33    41    44  -0.17800 -1.0 2.0
   29    33    41    44   0.20200  1.0 3.0
   29    33    41    48   0.44750  1.0 1.0
   29    33    41    48  -0.17800 -1.0 2.0
   29    33    41    48   0.20200  1.0 3.0
   33    38    43    52  -0.32850  1.0 1.0
   33    38    43    52  -0.35800 -1.0 2.0
   33    38    43    52   0.33950  1.0 3.0
   33    41    44    45   0.15000  1.0 3.0
   33    41    44    46   0.15000  1.0 3.0
   33    41    44    47   0.15000  1.0 3.0
   33    41    48    49   0.15000  1.0 3.0
   33    41    48    50   0.15000  1.0 3.0
   33    41    48    51   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.23400  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    44   0.15000  1.0 3.0
   34    33    41    48   0.15000  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    44   0.56750  1.0 1.0
   38    33    41    44  -0.07550 -1.0 2.0
   38    33    41    44   0.20000  1.0 3.0
   38    33    41    48   0.56750  1.0 1.0
   38    33    41    48  -0.07550 -1.0 2.0
   38    33    41    48   0.20000  1.0 3.0
   38    43    52    53   1.63200 -1.0 2.0
   38    43    52    63   1.63200 -1.0 2.0
   39    38    43    52   0.08050  1.0 3.0
   40    38    43    52   0.08050  1.0 3.0
   43    52    53    54   3.62500 -1.0 2.0
   43    52    53    62   3.62500 -1.0 2.0
   43    52    63    60   3.62500 -1.0 2.0
   43    52    63    68   3.62500 -1.0 2.0
   52    53    54    55   3.00000 -1.0 2.0
   52    53    54    57   3.00000 -1.0 2.0
   52    53    62    58   3.62500 -1.0 2.0
   52    63    68    69   0.01300  1.0 1.0
   52    63    68    69   0.97950 -1.0 2.0
   52    63    68    69  -0.55700  1.0 3.0
   53    52    63    60   3.62500 -1.0 2.0
   53    52    63    68   3.62500 -1.0 2.0
   53    54    55    56   3.50000 -1.0 2.0
   53    54   -55    58   3.50000 -1.0 2.0
   53    54   -57    60   3.50000 -1.0 2.0
   53    54    57    61   3.62500 -1.0 2.0
   54    53   -62    58   3.62500 -1.0 2.0
   54    55    58    59   3.62500 -1.0 2.0
   54    55   -58    62   3.62500 -1.0 2.0
   54    57    60    63   3.62500 -1.0 2.0
   54    57    60    73   3.62500 -1.0 2.0
   54    57    61    64   1.63200 -1.0 2.0
   55    54    57    60   3.62500 -1.0 2.0
   55    54    57    61   3.62500 -1.0 2.0
   55    58   -62    53   3.62500 -1.0 2.0
   56    55    58    59   3.62500 -1.0 2.0
   56    55    58    62   3.62500 -1.0 2.0
   59    58    62    53   3.62500 -1.0 2.0
   62    53   -54    55   3.62500 -1.0 2.0
   62    53    54    57   3.62500 -1.0 2.0
   57    54    55    56   3.62500 -1.0 2.0
   57    54    55    58   3.62500 -1.0 2.0
   57    60   -63    52   3.62500 -1.0 2.0
   57    60    63    68   3.62500 -1.0 2.0
   57    60    73    71   0.15800  1.0 1.0
   57    60    73    71   1.85350 -1.0 2.0
   57    60    73    71  -0.48700  1.0 3.0
   57    60    73    74   0.56550  1.0 3.0
   57    61    64    65   0.08050  1.0 3.0
   57    61    64    66   0.08050  1.0 3.0
   57    61    64    67   0.08050  1.0 3.0
   60    57    61    64   1.63200 -1.0 2.0
   60    63    68    69   0.01300  1.0 1.0
   60    63    68    69   0.97950 -1.0 2.0
   60    63    68    69  -0.55700  1.0 3.0
   63    52   -53    54   3.62500 -1.0 2.0
   63    52    53    62   3.62500 -1.0 2.0
   63    60    73    71   0.15800  1.0 1.0
   63    60    73    71   1.85350 -1.0 2.0
   63    60    73    71  -0.48700  1.0 3.0
   63    60    73    74   0.56550  1.0 3.0
   63    68    69    70   3.00000 -1.0 2.0
   63    68   -69    71   2.00000 -1.0 2.0
   68    69    71    72   1.63100 -1.0 2.0
   68    69    71    73  -0.56150  1.0 1.0
   68    69    71    73   2.19150 -1.0 2.0
   69    71   -73    60   7.00000 -1.0 2.0
   69    71    73    74   7.00000 -1.0 2.0
   70    69    71    72   0.00000  1.0 1.0
   70    69    71    73   1.00000 -1.0 2.0
   72    71    73    60   7.00000 -1.0 2.0
   72    71    73    74   7.00000 -1.0 2.0
   73    60    63    52   3.62500 -1.0 2.0
   73    60   -63    68   3.62500 -1.0 2.0
   61    57    60    63   3.62500 -1.0 2.0
   61    57    60    73   3.62500 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.62750  1.0 1.0
   41    33    38    43  -0.30950 -1.0 2.0
   41    33    38    43   0.27300  1.0 3.0
   42    41    44    45   0.23400  1.0 3.0
   42    41    44    46   0.23400  1.0 3.0
   42    41    44    47   0.23400  1.0 3.0
   42    41    48    49   0.23400  1.0 3.0
   42    41    48    50   0.23400  1.0 3.0
   42    41    48    51   0.23400  1.0 3.0
   44    41    48    49   0.15000  1.0 3.0
   44    41    48    50   0.15000  1.0 3.0
   44    41    48    51   0.15000  1.0 3.0
   48    41    44    45   0.15000  1.0 3.0
   48    41    44    46   0.15000  1.0 3.0
   48    41    44    47   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
   53    63    52    43   4.00000 -1.0 2.0
   54    62    53    52   4.00000 -1.0 2.0
   55    57    54    53   4.00000 -1.0 2.0
   58    56    55    54   1.10000 -1.0 2.0
   62    59    58    55   1.10000 -1.0 2.0
   60    61    57    54   4.00000 -1.0 2.0
   63    73    60    57   4.00000 -1.0 2.0
   60    68    63    52   4.00000 -1.0 2.0
   68    71    69    70  10.50000 -1.0 2.0
   69    72    71    73   1.10000 -1.0 2.0
   60    74    73    71   1.10000 -1.0 2.0
END
