* LIGAND DATABASE FILE (OPLS2005)
*
001      78    82    153    245     449
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02069    91.70601   -66.23103
    3     1 S   H    _H1_     3     1.02031    88.78838    42.44414
    4     1 S   H    _H2_     4     1.02135    32.96137   170.93943
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C18    36     1.85359    97.15813  -178.12101
   34    33 S   HC   _H3_    37     1.09828   106.01619   -32.87590
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C17    38     1.55298   106.40846    79.94582
   39    38 S   HC   _H38    39     1.09862   108.88382   -64.29674
   40    38 S   CT   _C16    40     1.52699   112.76144   175.25401
   41    40 S   HC   _H37    41     1.09651   109.87194  -176.93190
   42    38 S   OH   _O22    77     1.42783   112.21347    54.35144
   43    42 S   HO   _H44    78     0.96930   106.36616  -175.79625
   44    40 S   CT   _C12    42     1.52581   110.36361   -57.16815
   45    44 S   HC   _H30    43     1.09566   109.52702   -64.32078
   46    44 S   HC   _H31    44     1.09804   109.50196   179.19643
   47    40 S   OH   _O21    75     1.42276   109.40900    64.85361
   48    47 S   HO   _H43    76     0.96972   106.70816    58.18122
   49    44 S   CT   _C15    45     1.53256   110.82277    59.55121
   50    49 S   HC   _H36    46     1.10084   106.12072    70.89209
   51    33 S   CT   _C19    47     1.56798   114.63416  -151.43626
   52    49 S   NT   _N18    58     1.48452   110.83947  -169.33661
   53    51 S   CA   _C5_    48     1.56029   115.15223    77.92906
   54    52 S   CT   _C13    59     1.47641   105.33701    82.59122
   55    54 S   HC   _H32    60     1.09623   109.04520   -91.98402
   56    54 S   HC   _H33    61     1.09647   113.27413   150.17733
   57    53 S   CA   _C4_    49     1.40323   124.14631   -18.58067
   58    57 S   HA   _H25    50     1.08091   122.89445     2.64382
   59    51 S   CT   _C11    62     1.54777   114.17538   -47.00736
   60    59 S   HC   _H28    63     1.09664   112.44993    93.87144
   61    59 S   HC   _H29    64     1.09428   112.37897   -27.37039
   62    57 S   CA   _C7_    51     1.38283   118.83636  -177.86990
   63    62 S   CA   _C8_    52     1.37187   122.21492    -0.63612
   64    63 S   CA   _C9_    53     1.37620   121.44478    -0.61676
   65    63 S   OS   _O20    70     1.36004   112.54450  -179.75611
   66    53 S   CA   _C6_    54     1.43099   117.54237   161.79849
   67    64 S   OS   _O23    65     1.35830   120.39713  -178.46112
   68    65 S   CO   _C14    71     1.44188   100.94122    -0.23985
   69    68 S   HC   _H34    72     1.09623   108.69044  -120.53671
   70    68 S   HC   _H35    73     1.09594   108.66148   121.30220
   71    66 S   CT   _C10    55     1.51580   120.20857    -5.97376
   72    71 S   HC   _H26    56     1.09679   110.26914   131.65155
   73    71 S   HC   _H27    57     1.09807   107.77624  -112.57629
   74    67 S   CT   _C20    66     1.42746   117.17704   -60.88406
   75    74 S   HC   _H40    67     1.09289   109.50457  -180.00000
   76    74 S   HC   _H41    68     1.09260   109.58716    59.12886
   77    74 S   HC   _H42    69     1.09268   108.96790   -60.45238
   78    62 S   OS   _O19    74     1.36226   125.59039   179.65057
  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
  20   8   2   1   1  14   7  12   7   4   1  12   6   5   2   1
  15   6  14  12  15   9   5   4  10   4   4   1   1   9  10  12
   6   5   5   3   2   1   2   1   1   3   2   1   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    51    53    59    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    49    50    51    53    57    66    52    54    59    60    61    47    42    43  
   38    39    40    49    51    53    59    42  
   36    37  
   37  
    0  
   39    40    41    44    45    46    49    51    53    59    47    48    42    43  
   40    41    44    51    47    42    43  
   41    44    45    46    49    50    51    52    47    48    42    43  
   44    45    46    49    47    48    42  
   43    44    47    51  
    0  
   45    46    49    50    51    53    71    52    54    59    47    48  
   46    49    50    51    52    47  
   49    50    51    52    47  
   48    49  
    0  
   50    51    53    57    66    71    72    73    52    54    55    56    59    60    61  
   51    53    71    52    54    59  
   53    57    58    62    64    66    71    52    54    55    56    59    60    61  
   54    55    56    59    60    61    53    64    66    71    72    73  
   57    58    62    63    64    66    71    72    73    54    59    60    61    67    78  
   55    56    59    60    61    66    71    72    73  
   56    59    60    61    71  
   59    60    61    71  
   58    62    63    64    66    71    59    65    68    78  
   62    63    66    78  
   60    61    66    71  
   61  
    0  
   63    64    66    67    65    68    69    70    78  
   64    66    71    67    74    65    68    69    70    78  
   66    71    72    73    67    74    75    76    77    65    68    78  
   68    69    70    78    66    67  
   71    72    73    67    74  
   74    75    76    77    71  
   69    70    78  
   70    78  
   78  
   72    73  
   73  
    0  
   75    76    77  
   76    77  
   77  
    0  
    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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   65   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
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    51   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    47   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    49   268.000  1.529
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    52   382.000  1.448
   51    53   317.000  1.510
   51    59   268.000  1.529
   53    57   469.000  1.400
   53    66   469.000  1.400
   57    58   367.000  1.080
   57    62   469.000  1.400
   62    63   469.000  1.400
   62    78   450.000  1.364
   63    64   469.000  1.400
   63    65   450.000  1.364
   64    66   469.000  1.400
   64    67   450.000  1.364
   66    71   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    52   382.000  1.448
   52    54   382.000  1.448
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   67    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   65    68   320.000  1.380
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    78   320.000  1.380
   47    48   553.000  0.945
   42    43   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    51    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    51    49    58.35000  112.70000
   33    51    53    70.00000  112.17500
   33    51    59    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    47    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    49    58.35000  112.70000
   40    47    48    55.00000  108.50000
   44    40    41    37.50000  110.70000
   44    49    50    37.50000  110.70000
   44    49    51    58.35000  112.70000
   44    49    52    56.20000  109.47000
   46    44    45    33.00000  107.80000
   49    44    45    37.50000  110.70000
   49    44    46    37.50000  110.70000
   49    51    53    70.00000  112.17500
   49    51    59    58.35000  112.70000
   49    52    71    51.80000  107.20000
   49    52    54    51.80000  107.20000
   51    33    34    37.50000  110.70000
   51    33    38    58.35000  112.70000
   51    49    50    37.50000  110.70000
   51    53    57    70.00000  120.00000
   51    53    66    70.00000  120.00000
   51    59    54    58.35000  112.70000
   51    59    60    37.50000  110.70000
   51    59    61    37.50000  110.70000
   53    57    58    35.00000  120.00000
   53    57    62    63.00000  120.00000
   53    66    64    63.00000  120.00000
   53    66    71    70.00000  120.00000
   57    62    63    63.00000  120.00000
   57    62    78    70.00000  120.00000
   62    57    58    35.00000  120.00000
   62    63    64    63.00000  120.00000
   62    63    65    70.00000  120.00000
   62    78    68   100.00000  112.36700
   63    64    66    63.00000  120.00000
   63    64    67    70.00000  120.00000
   63    65    68   100.00000  112.36700
   64    66    71    70.00000  120.00000
   64    67    74    75.00000  111.00000
   66    53    57    63.00000  120.00000
   66    71    72    35.00000  109.50000
   66    71    73    35.00000  109.50000
   66    71    52    75.00000  112.33000
   71    52    54    51.80000  107.20000
   73    71    72    33.00000  107.80000
   52    49    50    35.00000  109.50000
   52    49    51    56.20000  109.47000
   52    71    72    35.00000  109.50000
   52    71    73    35.00000  109.50000
   52    54    55    35.00000  109.50000
   52    54    56    35.00000  109.50000
   52    54    59    56.20000  109.47000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   56    54    55    33.00000  107.80000
   59    51    53    70.00000  112.17500
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   61    59    60    33.00000  107.80000
   67    64    66    70.00000  120.00000
   67    74    75    35.00000  109.50000
   67    74    76    35.00000  109.50000
   67    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   65    63    64    70.00000  120.00000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    78    92.60000  111.55000
   70    68    69    33.00000  109.50000
   78    62    63    70.00000  120.00000
   78    68    69    35.00000  109.50000
   78    68    70    35.00000  109.50000
   47    40    41    35.00000  109.50000
   47    40    44    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    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   0.01700  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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    51    49   0.44750  1.0 1.0
   29    33    51    49  -0.17800 -1.0 2.0
   29    33    51    49   0.20200  1.0 3.0
   29    33    51    53   0.56750  1.0 1.0
   29    33    51    53  -0.07550 -1.0 2.0
   29    33    51    53   0.20000  1.0 3.0
   29    33    51    59   0.44750  1.0 1.0
   29    33    51    59  -0.17800 -1.0 2.0
   29    33    51    59   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    47   0.86500  1.0 1.0
   33    38    40    47  -0.17500 -1.0 2.0
   33    38    40    47   0.20800  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    51    53    57   0.04150 -1.0 2.0
   33    51    53    66   0.04150 -1.0 2.0
   33    51    59    54   0.56750  1.0 1.0
   33    51    59    54  -0.07550 -1.0 2.0
   33    51    59    54   0.20000  1.0 3.0
   33    51    59    60   0.15000  1.0 3.0
   33    51    59    61   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    51    49   0.15000  1.0 3.0
   34    33    51    53   0.43200  1.0 3.0
   34    33    51    59   0.15000  1.0 3.0
   38    33    51    49   0.56750  1.0 1.0
   38    33    51    49  -0.07550 -1.0 2.0
   38    33    51    49   0.20000  1.0 3.0
   38    33    51    53  -0.03700  1.0 1.0
   38    33    51    53   0.37200 -1.0 2.0
   38    33    51    53  -0.47300  1.0 3.0
   38    33    51    59   0.56750  1.0 1.0
   38    33    51    59  -0.07550 -1.0 2.0
   38    33    51    59   0.20000  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40    44    46   0.15000  1.0 3.0
   38    40   -44    49   0.56750  1.0 1.0
   38    40   -44    49  -0.07550 -1.0 2.0
   38    40   -44    49   0.20000  1.0 3.0
   38    40    47    48  -0.11600  1.0 1.0
   38    40    47    48  -0.09450 -1.0 2.0
   38    40    47    48   0.21250  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    47   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    49    50   0.15000  1.0 3.0
   40    44    49    51   0.56750  1.0 1.0
   40    44    49    51  -0.07550 -1.0 2.0
   40    44    49    51   0.20000  1.0 3.0
   40    44    49    52   1.53400  1.0 1.0
   40    44    49    52  -0.09950 -1.0 2.0
   40    44    49    52   0.05700  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    49   0.15000  1.0 3.0
   41    40    47    48   0.19450  1.0 3.0
   44    40    47    48  -0.11600  1.0 1.0
   44    40    47    48  -0.09450 -1.0 2.0
   44    40    47    48   0.21250  1.0 3.0
   44    49   -51    33   0.56750  1.0 1.0
   44    49   -51    33  -0.07550 -1.0 2.0
   44    49   -51    33   0.20000  1.0 3.0
   44    49    51    53  -0.03700  1.0 1.0
   44    49    51    53   0.37200 -1.0 2.0
   44    49    51    53  -0.47300  1.0 3.0
   44    49    51    59   0.56750  1.0 1.0
   44    49    51    59  -0.07550 -1.0 2.0
   44    49    51    59   0.20000  1.0 3.0
   44    49    52    71   0.23450  1.0 1.0
   44    49    52    71   0.02050 -1.0 2.0
   44    49    52    71   0.25250  1.0 3.0
   44    49    52    54   0.23450  1.0 1.0
   44    49    52    54   0.02050 -1.0 2.0
   44    49    52    54   0.25250  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   45    44    49    51   0.15000  1.0 3.0
   45    44    49    52   0.15000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    44    49    51   0.15000  1.0 3.0
   46    44    49    52   0.15000  1.0 3.0
   49    51    53    57   0.04150 -1.0 2.0
   49    51    53    66   0.04150 -1.0 2.0
   49    51   -59    54   0.56750  1.0 1.0
   49    51   -59    54  -0.07550 -1.0 2.0
   49    51   -59    54   0.20000  1.0 3.0
   49    51    59    60   0.15000  1.0 3.0
   49    51    59    61   0.15000  1.0 3.0
   49    52    54    55   0.28000  1.0 3.0
   49    52    54    56   0.28000  1.0 3.0
   49    52   -54    59   0.23450  1.0 1.0
   49    52   -54    59   0.02050 -1.0 2.0
   49    52   -54    59   0.25250  1.0 3.0
   50    49    51    33   0.15000  1.0 3.0
   50    49    51    53   0.43200  1.0 3.0
   50    49    51    59   0.15000  1.0 3.0
   50    49    52    71   0.28000  1.0 3.0
   50    49    52    54   0.28000  1.0 3.0
   51    33    38    39   0.15000  1.0 3.0
   51    33   -38    40   0.56750  1.0 1.0
   51    33   -38    40  -0.07550 -1.0 2.0
   51    33   -38    40   0.20000  1.0 3.0
   51    33    38    42   0.86500  1.0 1.0
   51    33    38    42  -0.17500 -1.0 2.0
   51    33    38    42   0.20800  1.0 3.0
   51    49    52    71   0.23450  1.0 1.0
   51    49    52    71   0.02050 -1.0 2.0
   51    49    52    71   0.25250  1.0 3.0
   51    49   -52    54   0.23450  1.0 1.0
   51    49   -52    54   0.02050 -1.0 2.0
   51    49   -52    54   0.25250  1.0 3.0
   51    53    57    58   3.62500 -1.0 2.0
   51    53    57    62   3.62500 -1.0 2.0
   51    53    66    64   3.62500 -1.0 2.0
   51    53   -66    71   3.62500 -1.0 2.0
   53    51    59    54  -0.03700  1.0 1.0
   53    51    59    54   0.37200 -1.0 2.0
   53    51    59    54  -0.47300  1.0 3.0
   53    51    59    60   0.43200  1.0 3.0
   53    51    59    61   0.43200  1.0 3.0
   53    57    62    63   3.62500 -1.0 2.0
   53    57    62    78   3.62500 -1.0 2.0
   53    66    71    72   0.00000  1.0 1.0
   53    66    71    73   0.00000  1.0 1.0
   53    66    71    52   0.18550 -1.0 2.0
   53    66    71    52   0.14000  1.0 3.0
   57    53    66    64   3.62500 -1.0 2.0
   57    53    66    71   3.62500 -1.0 2.0
   57    62   -63    64   3.62500 -1.0 2.0
   57    62    63    65   3.62500 -1.0 2.0
   57    62    78    68   1.63200 -1.0 2.0
   58    57    62    63   3.62500 -1.0 2.0
   58    57    62    78   3.62500 -1.0 2.0
   62    63    64    66   3.62500 -1.0 2.0
   62    63    64    67   3.62500 -1.0 2.0
   62    63   -65    68   1.63200 -1.0 2.0
   63    62   -78    68   1.63200 -1.0 2.0
   63    64   -66    53   3.62500 -1.0 2.0
   63    64    66    71   3.62500 -1.0 2.0
   63    64    67    74   1.63200 -1.0 2.0
   63    65    68    69   0.08050  1.0 3.0
   63    65    68    70   0.08050  1.0 3.0
   63    65   -68    78  -0.25600  1.0 1.0
   63    65   -68    78  -0.40050 -1.0 2.0
   63    65   -68    78   0.34700  1.0 3.0
   64    63    65    68   1.63200 -1.0 2.0
   64    66    71    72   0.00000  1.0 1.0
   64    66    71    73   0.00000  1.0 1.0
   64    66    71    52   0.18550 -1.0 2.0
   64    66    71    52   0.14000  1.0 3.0
   64    67    74    75   0.08050  1.0 3.0
   64    67    74    76   0.08050  1.0 3.0
   64    67    74    77   0.08050  1.0 3.0
   66    53    57    58   3.62500 -1.0 2.0
   66    53   -57    62   3.62500 -1.0 2.0
   66    64    67    74   1.63200 -1.0 2.0
   66    71   -52    49   0.82600  1.0 1.0
   66    71   -52    49  -0.32100 -1.0 2.0
   66    71   -52    49   1.02000  1.0 3.0
   66    71    52    54   0.82600  1.0 1.0
   66    71    52    54  -0.32100 -1.0 2.0
   66    71    52    54   1.02000  1.0 3.0
   71    52    54    55   0.28000  1.0 3.0
   71    52    54    56   0.28000  1.0 3.0
   71    52    54    59   0.23450  1.0 1.0
   71    52    54    59   0.02050 -1.0 2.0
   71    52    54    59   0.25250  1.0 3.0
   72    71    52    49   0.28000  1.0 3.0
   72    71    52    54   0.28000  1.0 3.0
   73    71    52    49   0.28000  1.0 3.0
   73    71    52    54   0.28000  1.0 3.0
   52    49    51    33   1.53400  1.0 1.0
   52    49    51    33  -0.09950 -1.0 2.0
   52    49    51    33   0.05700  1.0 3.0
   52    49   -51    53   0.83750  1.0 1.0
   52    49   -51    53   0.32200 -1.0 2.0
   52    49   -51    53   0.70600  1.0 3.0
   52    49   -51    59   1.53400  1.0 1.0
   52    49   -51    59  -0.09950 -1.0 2.0
   52    49   -51    59   0.05700  1.0 3.0
   52    54   -59    51   1.53400  1.0 1.0
   52    54   -59    51  -0.09950 -1.0 2.0
   52    54   -59    51   0.05700  1.0 3.0
   52    54    59    60   0.15000  1.0 3.0
   52    54    59    61   0.15000  1.0 3.0
   55    54    59    51   0.15000  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   56    54    59    51   0.15000  1.0 3.0
   56    54    59    60   0.15000  1.0 3.0
   56    54    59    61   0.15000  1.0 3.0
   59    51    53    57   0.04150 -1.0 2.0
   59    51    53    66   0.04150 -1.0 2.0
   67    64    66    53   3.62500 -1.0 2.0
   67    64    66    71   3.62500 -1.0 2.0
   65    63    64    66   3.62500 -1.0 2.0
   65    63    64    67   3.62500 -1.0 2.0
   65    68   -78    62  -0.25600  1.0 1.0
   65    68   -78    62  -0.40050 -1.0 2.0
   65    68   -78    62   0.34700  1.0 3.0
   69    68    78    62   0.08050  1.0 3.0
   70    68    78    62   0.08050  1.0 3.0
   78    62    63    64   3.62500 -1.0 2.0
   78    62   -63    65   3.62500 -1.0 2.0
   47    40    44    45   0.23400  1.0 3.0
   47    40    44    46   0.23400  1.0 3.0
   47    40    44    49   0.86500  1.0 1.0
   47    40    44    49  -0.17500 -1.0 2.0
   47    40    44    49   0.20800  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    47   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
   57    66    53    51   4.00000 -1.0 2.0
   62    58    57    53   1.10000 -1.0 2.0
   63    78    62    57   4.00000 -1.0 2.0
   64    65    63    62   4.00000 -1.0 2.0
   66    67    64    63   4.00000 -1.0 2.0
   64    71    66    53   4.00000 -1.0 2.0
END
