* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    136    212     406
    1     0 S   NP   _N1_     1    29.18364    96.61742   -20.49106
    2     1 S   H    _HN1     2     1.02783    85.33179   -80.56436
    3     1 S   H    _H1_     3     1.02948    77.63939    29.37312
    4     1 S   H    _H2_     4     1.02831    45.69692   158.78474
    5     1 S   CT   _CA1     5     1.50128   155.65842   141.85672
    6     5 S   HC   _HA1     6     1.09576   105.19282    72.18461
    7     5 S   CO3  _C1_     7     1.53782   112.27706   -47.95933
    8     7 S   O2Z  _O11     8     1.26375   115.02352   -45.81976
    9     7 S   O2Z  _O12     9     1.26235   114.95753   133.18985
   10     5 S   CT   _CB1    10     1.53090   107.38732  -169.96424
   11    10 S   HC   HB11    11     1.09821   109.31140   -49.97725
   12    10 S   HC   HB12    12     1.09812   110.52187    66.64076
   13    10 S   CT   _CG1    13     1.52937   112.56883  -171.01583
   14    13 S   HC   HG11    14     1.09404   110.48698   -63.73333
   15    13 S   HC   HG12    15     1.09669   109.93865    55.24157
   16    13 S   C    _CD1    16     1.51800   112.37449   175.24148
   17    16 S   O    _OE1    17     1.22733   123.26048    -5.75095
   18    16 S   N    _N2_    18     1.38601   111.63838   175.56650
   19    18 S   H    _HN2    19     1.01605   118.94517    -1.10287
   20    18 S   CT1  _CA2    20     1.46189   123.46184   175.15208
   21    20 S   HC   _HA2    21     1.09733   109.44165    -1.38607
   22    20 S   C    _C2_    22     1.53557   108.29744  -116.64019
   23    22 S   O    _O2_    23     1.23050   122.39659  -147.91747
   24    20 S   CT   _CB2    32     1.53153   111.54106   120.96565
   25    24 S   HC   HB21    33     1.09445   110.00128    54.74752
   26    24 S   HC   HB22    34     1.09520   110.57612   172.73804
   27    22 S   N    _N3_    24     1.38383   113.62694    39.66117
   28    27 S   H    _HN3    25     1.01601   119.54179    -3.65993
   29    24 S   S    _SG2    35     1.82865   111.61701   -68.83914
   30    27 S   CT   _CA3    26     1.45279   123.14113   177.02244
   31    30 S   HC   HA31    27     1.09552   107.56026   -63.12347
   32    30 S   HC   HA32    28     1.09559   107.91002    53.28188
   33    29 S   CT   _C10    36     1.84417   100.00596   131.50452
   34    33 S   HC   _H3_    37     1.09371   106.39885    37.00227
   35    30 S   CO3  _C3_    29     1.52938   114.13951   175.25447
   36    35 S   O2Z  _O31    30     1.26366   116.08186    -0.18663
   37    35 S   O2Z  _O32    31     1.26434   114.40582   179.84174
   38    33 S   CA   _C8_    38     1.52269   110.97494   -82.68958
   39    33 S   CT   _C11    71     1.53729   109.75035   153.54561
   40    39 S   HC   _H13    72     1.09874   109.09539   168.49109
   41    39 S   HC   _H14    73     1.09829   111.00896    52.10052
   42    38 S   CA   _C9_    39     1.40691   120.74950   -66.56442
   43    42 S   HA   _H12    40     1.08752   120.48684     0.68156
   44    39 S   CO3  _C12    74     1.53361   116.48377   -72.92922
   45    44 S   O2Z  _O34    75     1.26161   116.52006   -24.26221
   46    44 S   O2Z  _O33    76     1.26503   114.23259   156.93638
   47    42 S   CA   _C4_    41     1.39665   121.12186  -179.53902
   48    47 S   HA   _H9_    42     1.08652   119.92360  -179.79158
   49    47 S   CA   _C5_    43     1.39188   120.15150    -0.58283
   50    49 S   HA   _H10    44     1.08630   119.98057  -178.89376
   51    49 S   CA   _C6_    45     1.39175   119.85438     0.37009
   52    51 S   HA   _H11    46     1.08636   119.54998  -178.88127
   53    38 S   CA   _C7_    47     1.40633   121.55582   114.46272
   54    53 S   OS   _O35    48     1.37252   120.03800    -2.95764
   55    54 S   CO   _C13    49     1.44345   111.68994   104.36565
   56    55 S   HC   _H4_    50     1.09894   109.46087    54.14251
   57    55 S   CT   _C14    51     1.53480   106.62057   172.86460
   58    57 S   HC   _H5_    52     1.09695   109.89120    51.89951
   59    57 S   CT   _C15    53     1.53061   111.44706   173.87177
   60    59 S   HC   _H6_    54     1.09666   110.26603    73.66107
   61    57 S   OH   _O40    69     1.42977   109.87034   -64.66262
   62    61 S   HO   _H20    70     0.97228   108.22506   -62.71467
   63    59 S   CT   _C16    55     1.53138   111.36705   -49.05201
   64    63 S   HC   _H7_    56     1.09704   109.10630   -71.17539
   65    59 S   OH   _O39    67     1.42956   109.58109  -170.48095
   66    65 S   HO   _H19    68     0.97257   108.07990    61.26972
   67    63 S   CT   _C17    57     1.53155   110.58176    50.11308
   68    67 S   HC   _H8_    58     1.09819   110.99773    64.25189
   69    63 S   OH   _O38    65     1.42622   109.63022   171.94265
   70    69 S   HO   _H18    66     0.97246   108.19227   -58.61273
   71    55 S   OS   _O36    59     1.42938   111.13733   -67.57004
   72    67 S   CT   _C18    60     1.52994   111.50626  -174.71673
   73    72 S   HC   _H15    61     1.09516   110.93640    70.33367
   74    72 S   HC   _H16    62     1.09381   111.69128   -52.12257
   75    72 S   OH   _O37    63     1.42516   108.99583  -171.01909
   76    75 S   HO   _H17    64     0.97255   106.94578  -173.19868
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1  14   7   4   3   8   4   2   1   1   6   3
   5   3   4   2   5   8  13   6  12   7  13   7   4   1  12   7
   3   1   9   6   3   1   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    53    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    47    51    53    54    39    40    41    44    45    46  
   38    42    53    39    40    41    44  
   36    37  
   37  
    0  
   42    43    47    48    49    51    52    53    54    55    39    40    41    44  
   40    41    44    45    46    42    53  
   41    44    45    46  
   44    45    46  
   43    47    48    49    50    51    53    54  
   47    48    49    53  
   45    46  
   46  
    0  
   48    49    50    51    52    53  
   49    50    51  
   50    51    52    53    54  
   51    52    53  
   52    53    54    55  
   53    54  
   54    55    56    57    71  
   55    56    57    58    59    67    71    61  
   56    57    58    59    60    63    67    68    71    72    65    61    62  
   57    58    59    67    71    61  
   58    59    60    63    64    67    71    69    65    66    61    62  
   59    60    63    71    65    61    62  
   60    63    64    67    68    71    72    69    70    65    66    61    62  
   63    64    67    69    65    66    61  
   62    63    65    71  
    0  
   64    67    68    71    72    73    74    75    69    70    65    66  
   67    68    71    72    69    70    65  
   66    67    69  
    0  
   68    71    72    73    74    75    76    69    70  
   71    72    73    74    75    69  
   70    71    72  
    0  
   72    73    74    75  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    53   469.000  1.400
   42    43   367.000  1.080
   42    47   469.000  1.400
   47    48   367.000  1.080
   47    49   469.000  1.400
   49    50   367.000  1.080
   49    51   469.000  1.400
   51    52   367.000  1.080
   51    53   469.000  1.400
   53    54   450.000  1.364
   54    55   320.000  1.380
   55    56   340.000  1.090
   55    57   250.000  1.527
   55    71   320.000  1.380
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    61   320.000  1.410
   59    60   340.000  1.090
   59    63   268.000  1.529
   59    65   320.000  1.410
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    69   320.000  1.410
   67    68   340.000  1.090
   67    71   320.000  1.410
   67    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   320.000  1.410
   75    76   553.000  0.945
   69    70   553.000  0.945
   65    66   553.000  0.945
   61    62   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   656.000  1.250
   44    46   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    53    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    47    63.00000  120.00000
   38    53    51    63.00000  120.00000
   38    53    54    70.00000  120.00000
   42    47    48    35.00000  120.00000
   42    47    49    63.00000  120.00000
   47    42    43    35.00000  120.00000
   47    49    50    35.00000  120.00000
   47    49    51    63.00000  120.00000
   49    47    48    35.00000  120.00000
   49    51    52    35.00000  120.00000
   49    51    53    63.00000  120.00000
   51    49    50    35.00000  120.00000
   51    53    54    70.00000  120.00000
   53    38    42    63.00000  120.00000
   53    51    52    35.00000  120.00000
   53    54    55   100.00000  112.36700
   54    55    56    35.00000  109.50000
   54    55    57    90.00000  108.56700
   54    55    71    92.60000  111.55000
   55    57    58    45.00000  108.72000
   55    57    59    75.00000  109.43000
   55    57    61    90.00000  111.58700
   55    71    67    60.00000  109.50000
   57    55    56    45.00000  112.01100
   57    59    60    37.50000  110.70000
   57    59    63    58.35000  112.70000
   57    59    65    50.00000  109.50000
   57    61    62    55.00000  108.50000
   59    57    58    37.50000  110.70000
   59    63    64    37.50000  110.70000
   59    63    67    58.35000  112.70000
   59    63    69    50.00000  109.50000
   59    65    66    55.00000  108.50000
   63    59    60    37.50000  110.70000
   63    67    68    37.50000  110.70000
   63    67    71    50.00000  109.50000
   63    67    72    58.35000  112.70000
   63    69    70    55.00000  108.50000
   67    63    64    37.50000  110.70000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    75    50.00000  109.50000
   71    55    56    35.00000  109.50000
   71    55    57    90.00000  108.56700
   71    67    68    35.00000  109.50000
   72    67    68    37.50000  110.70000
   72    67    71    50.00000  109.50000
   72    75    76    55.00000  108.50000
   74    72    73    33.00000  107.80000
   75    72    73    35.00000  109.50000
   75    72    74    35.00000  109.50000
   69    63    64    35.00000  109.50000
   69    63    67    50.00000  109.50000
   65    59    60    35.00000  109.50000
   65    59    63    50.00000  109.50000
   61    57    58    35.00000  109.50000
   61    57    59    50.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    70.00000  117.00000
   39    44    46    70.00000  117.00000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   46    44    45    80.00000  126.00000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    53  -0.16000  1.0 1.0
   29    33    38    53  -0.03200 -1.0 2.0
   29    33    38    53   0.04500  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    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    47   3.62500 -1.0 2.0
   33    38    53    51   3.62500 -1.0 2.0
   33    38    53    54   3.62500 -1.0 2.0
   33    39    44    45   0.41150 -1.0 2.0
   33    39    44    46   0.41150 -1.0 2.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    53   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44  -2.95950  1.0 1.0
   38    33    39    44   0.02300  1.0 3.0
   38    42    47    48   3.62500 -1.0 2.0
   38    42    47    49   3.62500 -1.0 2.0
   38    53    54    55   1.63200 -1.0 2.0
   42    38    53    51   3.62500 -1.0 2.0
   42    38    53    54   3.62500 -1.0 2.0
   42    47    49    50   3.62500 -1.0 2.0
   42    47   -49    51   3.62500 -1.0 2.0
   43    42    47    48   3.62500 -1.0 2.0
   43    42    47    49   3.62500 -1.0 2.0
   47    49    51    52   3.62500 -1.0 2.0
   47    49    51    53   3.62500 -1.0 2.0
   48    47    49    50   3.62500 -1.0 2.0
   48    47    49    51   3.62500 -1.0 2.0
   49    51   -53    38   3.62500 -1.0 2.0
   49    51    53    54   3.62500 -1.0 2.0
   50    49    51    52   3.62500 -1.0 2.0
   50    49    51    53   3.62500 -1.0 2.0
   51    53    54    55   1.63200 -1.0 2.0
   52    51    53    38   3.62500 -1.0 2.0
   52    51    53    54   3.62500 -1.0 2.0
   53    38    42    43   3.62500 -1.0 2.0
   53    38   -42    47   3.62500 -1.0 2.0
   53    54    55    56   0.08050  1.0 3.0
   53    54    55    57  -0.32850  1.0 1.0
   53    54    55    57  -0.35800 -1.0 2.0
   53    54    55    57   0.33950  1.0 3.0
   53    54    55    71  -0.25600  1.0 1.0
   53    54    55    71  -0.40050 -1.0 2.0
   53    54    55    71   0.34700  1.0 3.0
   54    55    57    58   0.23400  1.0 3.0
   54    55    57    59   0.62750  1.0 1.0
   54    55    57    59  -0.30950 -1.0 2.0
   54    55    57    59   0.27300  1.0 3.0
   54    55    57    61   3.69350  1.0 1.0
   54    55    57    61  -1.82950 -1.0 2.0
   54    55    71    67  -0.81800  1.0 1.0
   55    57    59    60   0.15000  1.0 3.0
   55    57    59    63   3.97050  1.0 1.0
   55    57    59    65   0.86500  1.0 1.0
   55    57    59    65  -0.17500 -1.0 2.0
   55    57    59    65   0.20800  1.0 3.0
   55    57    61    62  -0.11600  1.0 1.0
   55    57    61    62  -0.09450 -1.0 2.0
   55    57    61    62   0.21250  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55    57    61   0.23400  1.0 3.0
   56    55    71    67   0.37050  1.0 3.0
   57    55    71    67   0.06250  1.0 1.0
   57    55    71    67  -0.01100 -1.0 2.0
   57    55    71    67   0.28050  1.0 3.0
   57    59    63    64   0.15000  1.0 3.0
   57    59   -63    67   0.56750  1.0 1.0
   57    59   -63    67  -0.07550 -1.0 2.0
   57    59   -63    67   0.20000  1.0 3.0
   57    59    63    69   0.86500  1.0 1.0
   57    59    63    69  -0.17500 -1.0 2.0
   57    59    63    69   0.20800  1.0 3.0
   57    59    65    66  -0.11600  1.0 1.0
   57    59    65    66  -0.09450 -1.0 2.0
   57    59    65    66   0.21250  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    63   0.15000  1.0 3.0
   58    57    59    65   0.23400  1.0 3.0
   58    57    61    62   0.19450  1.0 3.0
   59    57    61    62  -0.11600  1.0 1.0
   59    57    61    62  -0.09450 -1.0 2.0
   59    57    61    62   0.21250  1.0 3.0
   59    63    67    68   0.15000  1.0 3.0
   59    63    67    71   0.62750  1.0 1.0
   59    63    67    71  -0.30950 -1.0 2.0
   59    63    67    71   0.27300  1.0 3.0
   59    63    67    72   0.56750  1.0 1.0
   59    63    67    72  -0.07550 -1.0 2.0
   59    63    67    72   0.20000  1.0 3.0
   59    63    69    70  -0.11600  1.0 1.0
   59    63    69    70  -0.09450 -1.0 2.0
   59    63    69    70   0.21250  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    67   0.15000  1.0 3.0
   60    59    63    69   0.23400  1.0 3.0
   60    59    65    66   0.19450  1.0 3.0
   63    59    65    66  -0.11600  1.0 1.0
   63    59    65    66  -0.09450 -1.0 2.0
   63    59    65    66   0.21250  1.0 3.0
   63    67   -71    55   0.06250  1.0 1.0
   63    67   -71    55  -0.01100 -1.0 2.0
   63    67   -71    55   0.28050  1.0 3.0
   63    67    72    73   0.15000  1.0 3.0
   63    67    72    74   0.15000  1.0 3.0
   63    67    72    75   0.86500  1.0 1.0
   63    67    72    75  -0.17500 -1.0 2.0
   63    67    72    75   0.20800  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    71   0.23400  1.0 3.0
   64    63    67    72   0.15000  1.0 3.0
   64    63    69    70   0.19450  1.0 3.0
   67    63    69    70  -0.11600  1.0 1.0
   67    63    69    70  -0.09450 -1.0 2.0
   67    63    69    70   0.21250  1.0 3.0
   67    72    75    76  -0.11600  1.0 1.0
   67    72    75    76  -0.09450 -1.0 2.0
   67    72    75    76   0.21250  1.0 3.0
   68    67    71    55   0.37050  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    75   0.23400  1.0 3.0
   71    55    57    58   0.23400  1.0 3.0
   71    55   -57    59   0.62750  1.0 1.0
   71    55   -57    59  -0.30950 -1.0 2.0
   71    55   -57    59   0.27300  1.0 3.0
   71    55    57    61   3.69350  1.0 1.0
   71    55    57    61  -1.82950 -1.0 2.0
   71    67    72    73   0.23400  1.0 3.0
   71    67    72    74   0.23400  1.0 3.0
   71    67    72    75   3.69350  1.0 1.0
   71    67    72    75  -1.82950 -1.0 2.0
   72    67    71    55   0.06250  1.0 1.0
   72    67    71    55  -0.01100 -1.0 2.0
   72    67    71    55   0.28050  1.0 3.0
   73    72    75    76   0.19450  1.0 3.0
   74    72    75    76   0.19450  1.0 3.0
   69    63    67    68   0.23400  1.0 3.0
   69    63    67    71   3.69350  1.0 1.0
   69    63    67    71  -1.82950 -1.0 2.0
   69    63    67    72   0.86500  1.0 1.0
   69    63    67    72  -0.17500 -1.0 2.0
   69    63    67    72   0.20800  1.0 3.0
   65    59    63    64   0.23400  1.0 3.0
   65    59    63    67   0.86500  1.0 1.0
   65    59    63    67  -0.17500 -1.0 2.0
   65    59    63    67   0.20800  1.0 3.0
   65    59    63    69   3.75450  1.0 1.0
   61    57    59    60   0.23400  1.0 3.0
   61    57    59    63   0.86500  1.0 1.0
   61    57    59    63  -0.17500 -1.0 2.0
   61    57    59    63   0.20800  1.0 3.0
   61    57    59    65   3.75450  1.0 1.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    53   0.04150 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    46   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    46   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
   36    30    35    37  10.50000 -1.0 2.0
   42    53    38    33   4.00000 -1.0 2.0
   47    43    42    38   1.10000 -1.0 2.0
   49    48    47    42   1.10000 -1.0 2.0
   51    50    49    47   1.10000 -1.0 2.0
   53    52    51    49   1.10000 -1.0 2.0
   51    54    53    38   4.00000 -1.0 2.0
   45    39    44    46  10.50000 -1.0 2.0
END
