* LIGAND DATABASE FILE (OPLS2005)
*
001      77    81    142    242     426
    1     0 S   NP   _N1_     1    28.85679    97.18692   -21.29211
    2     1 S   H    _HN1     2     1.02845    69.00426   -25.79256
    3     1 S   H    _H1_     3     1.02955    41.74020   129.68893
    4     1 S   H    _H2_     4     1.02807   104.83858  -130.01889
    5     1 S   CT   _CA1     5     1.50589   140.17618    72.64221
    6     5 S   HC   _HA1     6     1.09683   104.51076   100.17577
    7     5 S   CO3  _C1_     7     1.54424   110.84602   -15.48265
    8     7 S   O2Z  _O11     8     1.25991   116.79148  -121.53734
    9     7 S   O2Z  _O12     9     1.26626   113.71131    57.34748
   10     5 S   CT   _CB1    10     1.53108   106.88602  -143.73977
   11    10 S   HC   HB11    11     1.09850   110.00045   -40.53590
   12    10 S   HC   HB12    12     1.09763   110.22196    76.13201
   13    10 S   CT   _CG1    13     1.52999   112.37697  -160.95149
   14    13 S   HC   HG11    14     1.09440   111.03088   -61.73377
   15    13 S   HC   HG12    15     1.09643   109.53238    57.47318
   16    13 S   C    _CD1    16     1.51776   111.96457   178.16059
   17    16 S   O    _OE1    17     1.22762   123.14621    15.64206
   18    16 S   N    _N2_    18     1.38648   111.94208  -165.13443
   19    18 S   H    _HN2    19     1.01521   118.97863     3.34340
   20    18 S   CT1  _CA2    20     1.46284   123.33339  -179.65001
   21    20 S   HC   _HA2    21     1.09722   109.13258     7.47480
   22    20 S   C    _C2_    22     1.53553   109.30802  -108.48423
   23    22 S   O    _O2_    23     1.23094   122.02744  -151.55081
   24    20 S   CT   _CB2    32     1.53487   111.63158   129.09713
   25    24 S   HC   HB21    33     1.09528   109.72386    62.53499
   26    24 S   HC   HB22    34     1.09485   110.29021  -178.77236
   27    22 S   N    _N3_    24     1.38229   113.99414    35.60801
   28    27 S   H    _HN3    25     1.01558   119.56835    -2.88181
   29    24 S   S    _SG2    35     1.82515   111.38519   -58.31281
   30    27 S   CT   _CA3    26     1.45281   123.34930   177.48542
   31    30 S   HC   HA31    27     1.09544   107.45934   -66.63518
   32    30 S   HC   HA32    28     1.09557   108.07269    49.85107
   33    29 S   CT   _C23    36     1.85579    99.82271   169.39012
   34    33 S   HC   _H3_    37     1.09161   110.55379   -31.61883
   35    30 S   CO3  _C3_    29     1.52988   114.00655   171.90815
   36    35 S   O2Z  _O31    30     1.26387   116.07397     0.03956
   37    35 S   O2Z  _O32    31     1.26420   114.42293  -179.87967
   38    33 S   CA   _C21    38     1.54509   111.15301  -150.52486
   39    33 S   CT   _C25    70     1.54823   107.44419    83.03765
   40    39 S   HC   _H40    71     1.09680   110.32390   -69.62516
   41    38 S   CA   _C19    39     1.46409   122.29350    48.07305
   42    39 S   OH   _O25    72     1.43251   111.83624    48.67249
   43    42 S   HO   _H43    73     0.97337   107.20005   175.35776
   44    41 S   CA   _C15    40     1.41703   115.13610  -157.38857
   45    44 S   CA   _C9_    41     1.39139   120.95367   168.34250
   46    45 S   HA   _H32    42     1.08919   120.82556  -177.05869
   47    44 S   CA   _C12    61     1.39754   121.82101   -11.46034
   48    47 S   HA   _H35    62     1.08883   120.85253  -177.91475
   49    45 S   CA   _C11    43     1.38857   121.22321     2.09443
   50    49 S   HA   _H34    44     1.08650   116.24401  -178.44329
   51    47 S   CA   _C13    63     1.38359   120.92820    -0.07662
   52    51 S   HA   _H36    64     1.08762   119.15112  -176.42807
   53    49 S   CA   _C17    45     1.40177   121.92723     5.59608
   54    38 S   CA   _C20    65     1.42085   117.36243  -127.25422
   55    53 S   CA   _C16    46     1.44723   121.50703   175.18806
   56    41 S   CA   _C18    60     1.47026   129.09599    22.09850
   57    54 S   CT   _C22    66     1.51654   123.44135   -16.19609
   58    57 S   HC   _H37    67     1.09715   109.10972   118.57700
   59    55 S   CA   _C7_    47     1.42060   124.89594     6.64883
   60    59 S   HA   _H30    48     1.08699   121.16757     1.28816
   61    57 S   CT   _C24    68     1.52810   113.28238    -4.40420
   62    61 S   HC   _H39    69     1.09725   110.91199   -77.69386
   63    57 S   OH   _O23    76     1.43303   110.19051  -124.79361
   64    63 S   HO   _H41    77     0.97249   108.23240    38.89286
   65    59 S   CA   _C5_    49     1.39861   122.54035  -179.93147
   66    65 S   HA   _H28    50     1.08648   119.82943  -179.42699
   67    61 S   OH   _O24    74     1.42936   108.84121   164.67134
   68    67 S   HO   _H42    75     0.97263   107.55708   175.32111
   69    65 S   CA   _C4_    51     1.38476   119.97871     0.07913
   70    69 S   HA   _H27    52     1.08559   120.34368  -179.89532
   71    69 S   CA   _C6_    53     1.38996   119.33898     0.17132
   72    71 S   HA   _H29    54     1.08851   118.49402   179.71333
   73    55 S   CA   _C14    55     1.41241   119.19919  -173.07074
   74    73 S   CA   _C8_    56     1.38703   119.23643     0.95162
   75    74 S   HA   _H31    57     1.08842   120.89896   176.93516
   76    74 S   CA   _C10    58     1.39471   120.66383    -2.89584
   77    76 S   HA   _H33    59     1.08242   115.19113   175.89463
  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
  15   7   2   1   1  17  12   6  15   5   1  12   9   4   7   3
   7   3   6   2  10   8  12   6   7   5   8   4   5   3   2   1
   6   3   1   1   5   3   5   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    41    54    61    39    40    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    44    56    51    54    57    61    62    39    40    42    43    67  
   38    41    54    61    39    40    42  
   36    37  
   37  
    0  
   41    44    45    53    76    56    47    51    52    54    57    58    61    39    40    42    63  
   40    42    43    67    68    63    41    54    57    58    61    62  
   42    43    67    57    61    62  
   44    45    46    49    53    55    74    76    77    56    47    48    51    54    57  
   43    67    57    61    62  
   61  
   45    46    49    50    53    76    56    47    48    51    52    54  
   46    49    50    53    55    56    47    48    51  
   49    50    53    47  
   48    51    52    54    57    49    56  
   51    52    54  
   50    53    55    59    73    76    56  
   53    55    56  
   52    54    57    58    61    63  
   54    57  
   55    59    60    65    71    73    74    76    77    56  
   57    58    61    62    67    63    64    56  
   59    60    65    66    69    71    72    73    74    75    76    56  
   59    73    74    75    76    77  
   58    61    62    67    68    63    64  
   61    62    67    63    64  
   60    65    66    69    70    71    73    74  
   65    66    69    73  
   62    67    68    63    64  
   67    68    63  
   64    67  
    0  
   66    69    70    71    72    73  
   69    70    71  
   68  
    0  
   70    71    72    73    74  
   71    72    73  
   72    73    74    75    76  
   73    74  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   317.000  1.510
   33    39   268.000  1.529
   38    41   469.000  1.400
   38    54   469.000  1.400
   41    44   469.000  1.400
   41    56   469.000  1.400
   44    45   469.000  1.400
   44    47   469.000  1.400
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    55   469.000  1.400
   53    56   469.000  1.400
   55    59   469.000  1.400
   55    73   469.000  1.400
   59    60   367.000  1.080
   59    65   469.000  1.400
   65    66   367.000  1.080
   65    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   367.000  1.080
   76    56   469.000  1.400
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    52   367.000  1.080
   51    54   469.000  1.400
   54    57   317.000  1.510
   57    58   340.000  1.090
   57    61   268.000  1.529
   57    63   320.000  1.410
   61    62   340.000  1.090
   61    39   268.000  1.529
   61    67   320.000  1.410
   39    40   340.000  1.090
   39    42   320.000  1.410
   42    43   553.000  0.945
   67    68   553.000  0.945
   63    64   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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  120.00000
   33    38    54    70.00000  120.00000
   33    39    61    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    42    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    44    63.00000  120.00000
   38    41    56    63.00000  120.00000
   38    54    51    63.00000  120.00000
   38    54    57    70.00000  120.00000
   41    44    45    63.00000  120.00000
   41    44    47    63.00000  120.00000
   41    56    53    63.00000  120.00000
   41    56    76    63.00000  120.00000
   44    45    46    35.00000  120.00000
   44    45    49    63.00000  120.00000
   44    47    48    35.00000  120.00000
   44    47    51    63.00000  120.00000
   45    49    50    35.00000  120.00000
   45    49    53    63.00000  120.00000
   49    45    46    35.00000  120.00000
   49    53    55    63.00000  120.00000
   49    53    56    63.00000  120.00000
   53    49    50    35.00000  120.00000
   53    55    59    63.00000  120.00000
   53    55    73    63.00000  120.00000
   53    56    76    63.00000  120.00000
   55    59    60    35.00000  120.00000
   55    59    65    63.00000  120.00000
   55    73    71    63.00000  120.00000
   55    73    74    63.00000  120.00000
   59    65    66    35.00000  120.00000
   59    65    69    63.00000  120.00000
   65    59    60    35.00000  120.00000
   65    69    70    35.00000  120.00000
   65    69    71    63.00000  120.00000
   69    65    66    35.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    63.00000  120.00000
   73    55    59    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    74    75    35.00000  120.00000
   73    74    76    63.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    56    63.00000  120.00000
   76    74    75    35.00000  120.00000
   56    41    44    63.00000  120.00000
   56    53    55    63.00000  120.00000
   56    76    77    35.00000  120.00000
   47    44    45    63.00000  120.00000
   47    51    52    35.00000  120.00000
   47    51    54    63.00000  120.00000
   51    47    48    35.00000  120.00000
   51    54    57    70.00000  120.00000
   54    38    41    63.00000  120.00000
   54    51    52    35.00000  120.00000
   54    57    58    35.00000  109.50000
   54    57    61    70.00000  112.17500
   54    57    63    90.00000  112.51600
   57    61    62    37.50000  110.70000
   57    61    39    58.35000  112.70000
   57    61    67    50.00000  109.50000
   57    63    64    55.00000  108.50000
   61    57    58    37.50000  110.70000
   61    39    40    37.50000  110.70000
   61    39    42    50.00000  109.50000
   61    67    68    55.00000  108.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    61    62    37.50000  110.70000
   39    42    43    55.00000  108.50000
   42    39    40    35.00000  109.50000
   67    61    62    35.00000  109.50000
   67    61    39    50.00000  109.50000
   63    57    58    35.00000  109.50000
   63    57    61    50.00000  109.50000
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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    54  -0.16000  1.0 1.0
   29    33    38    54  -0.03200 -1.0 2.0
   29    33    38    54   0.04500  1.0 3.0
   29    33    39    61   0.44750  1.0 1.0
   29    33    39    61  -0.17800 -1.0 2.0
   29    33    39    61   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    38    41    44   3.62500 -1.0 2.0
   33    38    41    56   3.62500 -1.0 2.0
   33    38    54    51   3.62500 -1.0 2.0
   33    38    54    57   3.62500 -1.0 2.0
   33    39    42    43  -0.11600  1.0 1.0
   33    39    42    43  -0.09450 -1.0 2.0
   33    39    42    43   0.21250  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    54   0.00000  1.0 1.0
   34    33    39    61   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    42   0.23400  1.0 3.0
   38    33    39    61  -0.03700  1.0 1.0
   38    33    39    61   0.37200 -1.0 2.0
   38    33    39    61  -0.47300  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    42   1.13150  1.0 1.0
   38    33    39    42  -1.01400 -1.0 2.0
   38    41    44    45   3.62500 -1.0 2.0
   38    41    44    47   3.62500 -1.0 2.0
   38    41    56    53   3.62500 -1.0 2.0
   38    41    56    76   3.62500 -1.0 2.0
   38    54    57    58   0.00000  1.0 1.0
   38    54   -57    61   0.04150 -1.0 2.0
   38    54    57    63   0.14300 -1.0 2.0
   38    54    57    63   0.00300  1.0 3.0
   41    38    54    51   3.62500 -1.0 2.0
   41    38    54    57   3.62500 -1.0 2.0
   41    44    45    46   3.62500 -1.0 2.0
   41    44    45    49   3.62500 -1.0 2.0
   41    44    47    48   3.62500 -1.0 2.0
   41    44   -47    51   3.62500 -1.0 2.0
   44    41    56    53   3.62500 -1.0 2.0
   44    41    56    76   3.62500 -1.0 2.0
   44    45    49    50   3.62500 -1.0 2.0
   44    45   -49    53   3.62500 -1.0 2.0
   44    47    51    52   3.62500 -1.0 2.0
   44    47    51    54   3.62500 -1.0 2.0
   45    44    47    48   3.62500 -1.0 2.0
   45    44    47    51   3.62500 -1.0 2.0
   45    49    53    55   3.62500 -1.0 2.0
   45    49    53    56   3.62500 -1.0 2.0
   46    45    49    50   3.62500 -1.0 2.0
   46    45    49    53   3.62500 -1.0 2.0
   49    53    55    59   3.62500 -1.0 2.0
   49    53    55    73   3.62500 -1.0 2.0
   49    53   -56    41   3.62500 -1.0 2.0
   49    53    56    76   3.62500 -1.0 2.0
   50    49    53    55   3.62500 -1.0 2.0
   50    49    53    56   3.62500 -1.0 2.0
   53    55    59    60   3.62500 -1.0 2.0
   53    55    59    65   3.62500 -1.0 2.0
   53    55    73    71   3.62500 -1.0 2.0
   53    55    73    74   3.62500 -1.0 2.0
   55    53    56    41   3.62500 -1.0 2.0
   55    53    56    76   3.62500 -1.0 2.0
   55    59    65    66   3.62500 -1.0 2.0
   55    59    65    69   3.62500 -1.0 2.0
   55    73    74    75   3.62500 -1.0 2.0
   55    73   -74    76   3.62500 -1.0 2.0
   59    55    73    71   3.62500 -1.0 2.0
   59    55    73    74   3.62500 -1.0 2.0
   59    65    69    70   3.62500 -1.0 2.0
   59    65   -69    71   3.62500 -1.0 2.0
   60    59    65    66   3.62500 -1.0 2.0
   60    59    65    69   3.62500 -1.0 2.0
   65    69    71    72   3.62500 -1.0 2.0
   65    69    71    73   3.62500 -1.0 2.0
   66    65    69    70   3.62500 -1.0 2.0
   66    65    69    71   3.62500 -1.0 2.0
   69    71   -73    55   3.62500 -1.0 2.0
   69    71    73    74   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73    74    75   3.62500 -1.0 2.0
   71    73    74    76   3.62500 -1.0 2.0
   72    71    73    55   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   73    55    59    60   3.62500 -1.0 2.0
   73    55   -59    65   3.62500 -1.0 2.0
   73    74    76    77   3.62500 -1.0 2.0
   73    74    76    56   3.62500 -1.0 2.0
   74    76    56    41   3.62500 -1.0 2.0
   74    76   -56    53   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    56   3.62500 -1.0 2.0
   77    76    56    41   3.62500 -1.0 2.0
   77    76    56    53   3.62500 -1.0 2.0
   56    41   -44    45   3.62500 -1.0 2.0
   56    41    44    47   3.62500 -1.0 2.0
   56    53    55    59   3.62500 -1.0 2.0
   56    53   -55    73   3.62500 -1.0 2.0
   47    44    45    46   3.62500 -1.0 2.0
   47    44    45    49   3.62500 -1.0 2.0
   47    51   -54    38   3.62500 -1.0 2.0
   47    51    54    57   3.62500 -1.0 2.0
   48    47    51    52   3.62500 -1.0 2.0
   48    47    51    54   3.62500 -1.0 2.0
   51    54    57    58   0.00000  1.0 1.0
   51    54    57    61   0.04150 -1.0 2.0
   51    54    57    63   0.14300 -1.0 2.0
   51    54    57    63   0.00300  1.0 3.0
   52    51    54    38   3.62500 -1.0 2.0
   52    51    54    57   3.62500 -1.0 2.0
   54    38   -41    44   3.62500 -1.0 2.0
   54    38    41    56   3.62500 -1.0 2.0
   54    57    61    62   0.43200  1.0 3.0
   54    57    61    39  -0.03700  1.0 1.0
   54    57    61    39   0.37200 -1.0 2.0
   54    57    61    39  -0.47300  1.0 3.0
   54    57    61    67   1.13150  1.0 1.0
   54    57    61    67  -1.01400 -1.0 2.0
   54    57    63    64   0.31900  1.0 1.0
   54    57    63    64  -0.11800 -1.0 2.0
   54    57    63    64   0.38750  1.0 3.0
   57    61   -39    33   0.56750  1.0 1.0
   57    61   -39    33  -0.07550 -1.0 2.0
   57    61   -39    33   0.20000  1.0 3.0
   57    61    39    40   0.15000  1.0 3.0
   57    61    39    42   0.86500  1.0 1.0
   57    61    39    42  -0.17500 -1.0 2.0
   57    61    39    42   0.20800  1.0 3.0
   57    61    67    68  -0.11600  1.0 1.0
   57    61    67    68  -0.09450 -1.0 2.0
   57    61    67    68   0.21250  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    39   0.15000  1.0 3.0
   58    57    61    67   0.23400  1.0 3.0
   58    57    63    64   0.19450  1.0 3.0
   61    57    63    64  -0.11600  1.0 1.0
   61    57    63    64  -0.09450 -1.0 2.0
   61    57    63    64   0.21250  1.0 3.0
   61    39    42    43  -0.11600  1.0 1.0
   61    39    42    43  -0.09450 -1.0 2.0
   61    39    42    43   0.21250  1.0 3.0
   62    61    39    33   0.15000  1.0 3.0
   62    61    39    40   0.15000  1.0 3.0
   62    61    39    42   0.23400  1.0 3.0
   62    61    67    68   0.19450  1.0 3.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33   -38    54   0.04150 -1.0 2.0
   39    61    67    68  -0.11600  1.0 1.0
   39    61    67    68  -0.09450 -1.0 2.0
   39    61    67    68   0.21250  1.0 3.0
   40    39    42    43   0.19450  1.0 3.0
   67    61    39    33   0.86500  1.0 1.0
   67    61    39    33  -0.17500 -1.0 2.0
   67    61    39    33   0.20800  1.0 3.0
   67    61    39    40   0.23400  1.0 3.0
   67    61    39    42   3.75450  1.0 1.0
   63    57    61    62   0.23400  1.0 3.0
   63    57    61    39   0.86500  1.0 1.0
   63    57    61    39  -0.17500 -1.0 2.0
   63    57    61    39   0.20800  1.0 3.0
   63    57    61    67   3.75450  1.0 1.0
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
   41    54    38    33   4.00000 -1.0 2.0
   44    56    41    38   4.00000 -1.0 2.0
   45    47    44    41   4.00000 -1.0 2.0
   49    46    45    44   1.10000 -1.0 2.0
   53    50    49    45   1.10000 -1.0 2.0
   55    56    53    49   4.00000 -1.0 2.0
   59    73    55    53   4.00000 -1.0 2.0
   65    60    59    55   1.10000 -1.0 2.0
   69    66    65    59   1.10000 -1.0 2.0
   71    70    69    65   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   71    74    73    55   4.00000 -1.0 2.0
   76    75    74    73   1.10000 -1.0 2.0
   56    77    76    74   1.10000 -1.0 2.0
   53    76    56    41   4.00000 -1.0 2.0
   51    48    47    44   1.10000 -1.0 2.0
   54    52    51    47   1.10000 -1.0 2.0
   51    57    54    38   4.00000 -1.0 2.0
END
