* LIGAND DATABASE FILE (OPLS2005)
*
001      86    87    152    227     441
    1     0 S   NP   _N1_     1    30.57961    99.46115   -17.16987
    2     1 S   H    _HN1     2     1.02835    72.40388   152.91276
    3     1 S   H    _H1_     3     1.02779    63.16094   -85.63602
    4     1 S   H    _H2_     4     1.02967    71.25510    37.30263
    5     1 S   CT   _CA1     5     1.50135   175.32496   -73.89390
    6     5 S   HC   _HA1     6     1.09575   105.23809   -72.82585
    7     5 S   CO3  _C1_     7     1.53776   112.35934   167.00980
    8     7 S   O2Z  _O11     8     1.26339   115.01522   -43.34551
    9     7 S   O2Z  _O12     9     1.26227   114.95232   135.74524
   10     5 S   CT   _CB1    10     1.53073   107.38126    45.06095
   11    10 S   HC   HB11    11     1.09823   109.33735   -50.76118
   12    10 S   HC   HB12    12     1.09811   110.37747    65.73004
   13    10 S   CT   _CG1    13     1.52990   112.70536  -171.84520
   14    13 S   HC   HG11    14     1.09527   110.37200   -63.68182
   15    13 S   HC   HG12    15     1.09643   110.05037    55.57475
   16    13 S   C    _CD1    16     1.51759   112.30795   176.01798
   17    16 S   O    _OE1    17     1.22724   123.22004    -2.12918
   18    16 S   N    _N2_    18     1.38570   111.69984   177.95895
   19    18 S   H    _HN2    19     1.01649   119.02238     1.56785
   20    18 S   CT1  _CA2    20     1.46014   123.30465   178.98722
   21    20 S   HC   _HA2    21     1.09750   109.37534    -9.58755
   22    20 S   C    _C2_    22     1.53420   107.87383  -124.72879
   23    22 S   O    _O2_    23     1.23017   122.45725  -141.22985
   24    20 S   CT   _CB2    32     1.53258   112.01923   112.60058
   25    24 S   HC   HB21    33     1.09445   110.91502    55.03289
   26    24 S   HC   HB22    34     1.09554   109.80176   172.79266
   27    22 S   N    _N3_    24     1.38542   113.19434    45.70024
   28    27 S   H    _HN3    25     1.01513   118.97198    -1.06275
   29    24 S   S    _SG2    35     1.83004   112.53422   -69.44209
   30    27 S   CT   _CA3    26     1.45434   123.48877   175.42346
   31    30 S   HC   HA31    27     1.09514   109.32711    22.81367
   32    30 S   HC   HA32    28     1.09495   107.11223   139.82068
   33    29 S   CT   _C24    36     1.84360   100.45178   102.18194
   34    33 S   HC   _H3_    37     1.09578   108.51199   -41.76080
   35    30 S   CO3  _C3_    29     1.52898   113.04968  -100.64274
   36    35 S   O2Z  _O31    30     1.26404   115.38941   -45.50878
   37    35 S   O2Z  _O32    31     1.26359   114.99171   135.37254
   38    33 S   CT   _C22    38     1.53777   108.81637    78.25322
   39    38 S   HC   _H46    39     1.09604   111.70153    80.12816
   40    38 S   HC   _H47    40     1.09586   110.22521   -39.57671
   41    33 S   CT   _C23    65     1.54379   108.88017  -160.28977
   42    41 S   HC   _H48    66     1.09871   110.41038   -52.14230
   43    41 S   HC   _H49    67     1.09689   109.46091  -167.68623
   44    38 S   CO4  _C16    41     1.52301   112.68373  -158.09573
   45    44 S   O    _O22    42     1.23078   122.56372   -26.81415
   46    41 S   CT   _C20    68     1.53463   113.12081    71.90839
   47    46 S   HC   _H42    69     1.09653   109.70464    56.82545
   48    46 S   HC   _H43    70     1.09584   111.36509   -60.27586
   49    44 S   CT   _C21    43     1.51997   116.61128   154.64935
   50    49 S   HC   _H44    44     1.09563   107.60784   111.23312
   51    49 S   HC   _H45    45     1.09542   109.67412    -4.73872
   52    46 S   CA   _C11    71     1.50882   111.68831   177.94424
   53    49 S   CT   _C19    46     1.52838   111.70529  -127.43213
   54    53 S   HC   _H40    47     1.09721   109.46603  -177.94471
   55    53 S   HC   _H41    48     1.09737   110.00088   -62.06536
   56    52 S   CA   _C5_    72     1.39983   120.28022   -91.62307
   57    56 S   HA   _H29    73     1.08745   120.38086    -0.63427
   58    53 S   CA   _C10    49     1.51114   112.77138    60.79111
   59    56 S   CA   _C7_    74     1.39302   120.33945   179.50268
   60    59 S   HA   _H31    75     1.08612   119.32348   179.71333
   61    58 S   CA   _C4_    50     1.39999   120.54726    75.37083
   62    61 S   HA   _H28    51     1.08716   120.37745     1.42629
   63    59 S   CA   _C13    76     1.39495   119.64153    -0.30774
   64    61 S   CA   _C6_    52     1.39363   120.30782  -178.29877
   65    64 S   HA   _H30    53     1.08627   119.45028   179.89347
   66    63 S   CA   _C15    77     1.40000   121.14153    -0.07913
   67    63 S   OH   _O24    85     1.37052   119.77135   179.97202
   68    67 S   HO   _H52    86     0.97207   108.71771    -0.02798
   69    64 S   CA   _C12    54     1.39488   119.66563     0.04846
   70    52 S   CA   _C9_    78     1.40513   120.28187    87.23697
   71    70 S   HA   _H33    79     1.08636   118.06819     0.54465
   72    66 S   OS   _O26    80     1.37064   116.08871  -179.82754
   73    69 S   CA   _C14    55     1.39882   121.16897     0.06256
   74    69 S   OH   _O23    63     1.36955   119.87007  -179.98022
   75    74 S   HO   _H51    64     0.97262   108.86186    -5.99414
   76    72 S   CT   _C18    81     1.42224   117.12324   179.98022
   77    76 S   HC   _H37    82     1.09429   107.74512   179.95577
   78    76 S   HC   _H38    83     1.09499   111.14849    62.23226
   79    76 S   HC   _H39    84     1.09499   111.14380   -62.31969
   80    58 S   CA   _C8_    56     1.40585   120.10154  -102.83895
   81    80 S   HA   _H32    57     1.08658   118.14506    -0.96042
   82    73 S   OS   _O25    58     1.37050   116.15944   178.82164
   83    82 S   CT   _C17    59     1.42275   117.00691   175.39138
   84    83 S   HC   _H34    60     1.09417   107.73507  -178.58889
   85    83 S   HC   _H35    61     1.09434   111.11540    63.62266
   86    83 S   HC   _H36    62     1.09499   111.11554   -60.72672
  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
  14   8   2   1   1  12   5   4   9   5   4   8   4   9   4   3
   8   5   4   9   9   4   3   8   4   9   7   3   8   4   7   7
   3   9   3   1   7   3   1   4   9   3   1   3   2   1   1   3
   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    41    42    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    49    41    42    43    46    47    48    52  
   38    39    40    44    41    42    43    46  
   36    37  
   37  
    0  
   39    40    44    45    49    50    51    53    41    42    43    46  
   40    44    45    49    41  
   44    45    49    41  
   42    43    46    47    48    52    56    70    44  
   43    46    47    48    52  
   46    47    48    52  
   45    49    50    51    53    54    55    58  
   49    50    51    53  
   47    48    52    56    57    59    66    70    71  
   48    52    56    70  
   52    56    70  
   50    51    53    54    55    58    61    80  
   51    53    54    55    58  
   53    54    55    58  
   56    57    59    60    63    66    70    71    72  
   54    55    58    61    62    64    73    80    81  
   55    58    61    80  
   58    61    80  
   57    59    60    63    66    70    71    67  
   59    60    63    70  
   61    62    64    65    69    73    80    81    82  
   60    63    66    70    72    67    68  
   63    66    67  
   62    64    65    69    73    80    81    74  
   64    65    69    80  
   66    70    71    72    76    67    68  
   65    69    73    80    82    74    75  
   69    73    74  
   70    71    72    76    77    78    79    67    68  
   68    70    72  
    0  
   73    80    81    82    83    74    75  
   71    72    76  
   72  
   76    77    78    79  
   80    81    82    83    84    85    86    74    75  
   75    80    82  
    0  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83  
   82  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.030000   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    44   317.000  1.522
   44    45   570.000  1.229
   44    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   317.000  1.510
   58    61   469.000  1.400
   58    80   469.000  1.400
   61    62   367.000  1.080
   61    64   469.000  1.400
   64    65   367.000  1.080
   64    69   469.000  1.400
   69    73   469.000  1.400
   69    74   450.000  1.364
   73    80   469.000  1.400
   73    82   450.000  1.364
   80    81   367.000  1.080
   82    83   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   74    75   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    52   317.000  1.510
   52    56   469.000  1.400
   52    70   469.000  1.400
   56    57   367.000  1.080
   56    59   469.000  1.400
   59    60   367.000  1.080
   59    63   469.000  1.400
   63    66   469.000  1.400
   63    67   450.000  1.364
   66    70   469.000  1.400
   66    72   450.000  1.364
   70    71   367.000  1.080
   72    76   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   67    68   553.000  0.945
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    44    63.00000  111.10000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    44    45    80.00000  120.40000
   38    44    49    70.00000  116.00000
   40    38    39    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    40    35.00000  109.50000
   44    49    50    35.00000  109.50000
   44    49    51    35.00000  109.50000
   44    49    53    63.00000  111.10000
   49    44    45    80.00000  120.40000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    58    70.00000  112.17500
   51    49    50    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   53    58    61    70.00000  120.00000
   53    58    80    70.00000  120.00000
   55    53    54    33.00000  107.80000
   58    53    54    35.00000  109.50000
   58    53    55    35.00000  109.50000
   58    61    62    35.00000  120.00000
   58    61    64    63.00000  120.00000
   58    80    73    63.00000  120.00000
   58    80    81    35.00000  120.00000
   61    64    65    35.00000  120.00000
   61    64    69    63.00000  120.00000
   64    61    62    35.00000  120.00000
   64    69    73    63.00000  120.00000
   64    69    74    70.00000  120.00000
   69    64    65    35.00000  120.00000
   69    73    80    63.00000  120.00000
   69    73    82    70.00000  120.00000
   69    74    75    35.00000  113.00000
   73    80    81    35.00000  120.00000
   73    82    83    75.00000  111.00000
   80    58    61    63.00000  120.00000
   82    73    80    70.00000  120.00000
   82    83    84    35.00000  109.50000
   82    83    85    35.00000  109.50000
   82    83    86    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   74    69    73    70.00000  120.00000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    52    70.00000  112.17500
   43    41    42    33.00000  107.80000
   46    41    42    37.50000  110.70000
   46    41    43    37.50000  110.70000
   46    52    56    70.00000  120.00000
   46    52    70    70.00000  120.00000
   48    46    47    33.00000  107.80000
   52    46    47    35.00000  109.50000
   52    46    48    35.00000  109.50000
   52    56    57    35.00000  120.00000
   52    56    59    63.00000  120.00000
   52    70    66    63.00000  120.00000
   52    70    71    35.00000  120.00000
   56    59    60    35.00000  120.00000
   56    59    63    63.00000  120.00000
   59    56    57    35.00000  120.00000
   59    63    66    63.00000  120.00000
   59    63    67    70.00000  120.00000
   63    59    60    35.00000  120.00000
   63    66    70    63.00000  120.00000
   63    66    72    70.00000  120.00000
   63    67    68    35.00000  113.00000
   66    70    71    35.00000  120.00000
   66    72    76    75.00000  111.00000
   70    52    56    63.00000  120.00000
   72    66    70    70.00000  120.00000
   72    76    77    35.00000  109.50000
   72    76    78    35.00000  109.50000
   72    76    79    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   67    63    66    70.00000  120.00000
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   0.01700  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    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   33    38    44    45   0.30150 -1.0 2.0
   33    38    44    49   0.60050  1.0 1.0
   33    38    44    49   0.05600 -1.0 2.0
   33    38    44    49   0.26150  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    48   0.15000  1.0 3.0
   33    41    46    52  -0.03700  1.0 1.0
   33    41    46    52   0.37200 -1.0 2.0
   33    41    46    52  -0.47300  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    44  -0.11250  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    43   0.15000  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    43   0.15000  1.0 3.0
   38    33    41    46   0.56750  1.0 1.0
   38    33    41    46  -0.07550 -1.0 2.0
   38    33    41    46   0.20000  1.0 3.0
   38    44    49    50   0.00000  1.0 1.0
   38    44    49    51   0.00000  1.0 1.0
   38    44    49    53   0.60050  1.0 1.0
   38    44    49    53   0.05600 -1.0 2.0
   38    44    49    53   0.26150  1.0 3.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    49   0.00000  1.0 1.0
   40    38    44    45   0.00000  1.0 1.0
   40    38    44    49   0.00000  1.0 1.0
   44    49    53    54  -0.11250  1.0 3.0
   44    49    53    55  -0.11250  1.0 3.0
   44    49    53    58   0.56750  1.0 1.0
   44    49    53    58  -0.07550 -1.0 2.0
   44    49    53    58   0.20000  1.0 3.0
   45    44    49    50   0.00000  1.0 1.0
   45    44    49    51   0.00000  1.0 1.0
   45    44    49    53   0.30150 -1.0 2.0
   49    53    58    61   0.04150 -1.0 2.0
   49    53    58    80   0.04150 -1.0 2.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    58   0.43200  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    55   0.15000  1.0 3.0
   51    49    53    58   0.43200  1.0 3.0
   53    58    61    62   3.62500 -1.0 2.0
   53    58    61    64   3.62500 -1.0 2.0
   53    58    80    73   3.62500 -1.0 2.0
   53    58    80    81   3.62500 -1.0 2.0
   54    53    58    61   0.00000  1.0 1.0
   54    53    58    80   0.00000  1.0 1.0
   55    53    58    61   0.00000  1.0 1.0
   55    53    58    80   0.00000  1.0 1.0
   58    61    64    65   3.62500 -1.0 2.0
   58    61    64    69   3.62500 -1.0 2.0
   61    58    80    73   3.62500 -1.0 2.0
   61    58    80    81   3.62500 -1.0 2.0
   61    64   -69    73   3.62500 -1.0 2.0
   61    64    69    74   3.62500 -1.0 2.0
   62    61    64    65   3.62500 -1.0 2.0
   62    61    64    69   3.62500 -1.0 2.0
   64    69    73    80   3.62500 -1.0 2.0
   64    69    73    82   3.62500 -1.0 2.0
   64    69    74    75   0.84100 -1.0 2.0
   65    64    69    73   3.62500 -1.0 2.0
   65    64    69    74   3.62500 -1.0 2.0
   69    73   -80    58   3.62500 -1.0 2.0
   69    73    80    81   3.62500 -1.0 2.0
   69    73    82    83   1.63200 -1.0 2.0
   73    69    74    75   0.84100 -1.0 2.0
   73    82    83    84   0.08050  1.0 3.0
   73    82    83    85   0.08050  1.0 3.0
   73    82    83    86   0.08050  1.0 3.0
   80    58    61    62   3.62500 -1.0 2.0
   80    58   -61    64   3.62500 -1.0 2.0
   80    73    82    83   1.63200 -1.0 2.0
   82    73    80    58   3.62500 -1.0 2.0
   82    73    80    81   3.62500 -1.0 2.0
   74    69    73    80   3.62500 -1.0 2.0
   74    69    73    82   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    44  -0.95700  1.0 1.0
   41    33    38    44  -0.18200 -1.0 2.0
   41    33    38    44   0.29450  1.0 3.0
   41    46    52    56   0.04150 -1.0 2.0
   41    46    52    70   0.04150 -1.0 2.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    48   0.15000  1.0 3.0
   42    41    46    52   0.43200  1.0 3.0
   43    41    46    47   0.15000  1.0 3.0
   43    41    46    48   0.15000  1.0 3.0
   43    41    46    52   0.43200  1.0 3.0
   46    52    56    57   3.62500 -1.0 2.0
   46    52    56    59   3.62500 -1.0 2.0
   46    52    70    66   3.62500 -1.0 2.0
   46    52    70    71   3.62500 -1.0 2.0
   47    46    52    56   0.00000  1.0 1.0
   47    46    52    70   0.00000  1.0 1.0
   48    46    52    56   0.00000  1.0 1.0
   48    46    52    70   0.00000  1.0 1.0
   52    56    59    60   3.62500 -1.0 2.0
   52    56    59    63   3.62500 -1.0 2.0
   56    52    70    66   3.62500 -1.0 2.0
   56    52    70    71   3.62500 -1.0 2.0
   56    59   -63    66   3.62500 -1.0 2.0
   56    59    63    67   3.62500 -1.0 2.0
   57    56    59    60   3.62500 -1.0 2.0
   57    56    59    63   3.62500 -1.0 2.0
   59    63    66    70   3.62500 -1.0 2.0
   59    63    66    72   3.62500 -1.0 2.0
   59    63    67    68   0.84100 -1.0 2.0
   60    59    63    66   3.62500 -1.0 2.0
   60    59    63    67   3.62500 -1.0 2.0
   63    66   -70    52   3.62500 -1.0 2.0
   63    66    70    71   3.62500 -1.0 2.0
   63    66    72    76   1.63200 -1.0 2.0
   66    63    67    68   0.84100 -1.0 2.0
   66    72    76    77   0.08050  1.0 3.0
   66    72    76    78   0.08050  1.0 3.0
   66    72    76    79   0.08050  1.0 3.0
   70    52    56    57   3.62500 -1.0 2.0
   70    52   -56    59   3.62500 -1.0 2.0
   70    66    72    76   1.63200 -1.0 2.0
   72    66    70    52   3.62500 -1.0 2.0
   72    66    70    71   3.62500 -1.0 2.0
   67    63    66    70   3.62500 -1.0 2.0
   67    63    66    72   3.62500 -1.0 2.0
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
   38    49    44    45  10.50000 -1.0 2.0
   61    80    58    53   4.00000 -1.0 2.0
   64    62    61    58   1.10000 -1.0 2.0
   69    65    64    61   1.10000 -1.0 2.0
   73    74    69    64   4.00000 -1.0 2.0
   80    82    73    69   4.00000 -1.0 2.0
   73    81    80    58   1.10000 -1.0 2.0
   56    70    52    46   4.00000 -1.0 2.0
   59    57    56    52   1.10000 -1.0 2.0
   63    60    59    56   1.10000 -1.0 2.0
   66    67    63    59   4.00000 -1.0 2.0
   70    72    66    63   4.00000 -1.0 2.0
   66    71    70    52   1.10000 -1.0 2.0
END
