* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    147    233     418
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02040    96.96082    27.57164
    3     1 S   H    _H1_     3     1.02156    34.84505   140.45938
    4     1 S   H    _H2_     4     1.02084    82.44481   -80.44362
    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     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   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   _C14    36     1.83607    97.72684  -158.13514
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C7_    37     1.51528   109.96969  -160.03709
   38    33 S   CT   _C11    60     1.55598   115.38447    84.88179
   39    38 S   HC   _H28    61     1.10218   106.83846  -152.91024
   40    37 S   CMA  _C6_    38     1.35405   123.85488    87.11043
   41    40 S   OM   _O20    39     1.26256   129.59811   176.06329
   42    37 S   NE   _N17    51     1.39100   108.32704   -98.45476
   43    38 S   CT   _C18    62     1.52654   117.61601   -35.10317
   44    43 S   HC   _H37    63     1.08964   109.86424    60.03816
   45    43 S   HC   _H38    64     1.08917   109.89994   -60.87297
   46    40 S   CM   _C4_    40     1.49538   117.50362     0.60716
   47    42 S   CT   _C10    52     1.46732   124.77601   126.44529
   48    47 S   HC   _H26    53     1.09399   109.62185   119.63721
   49    47 S   HC   _H27    54     1.09448   112.66072    -2.28070
   50    43 S   OS   _O23    65     1.41515   108.51223   179.54803
   51    46 S   CM   _C5_    41     1.35618   121.53645    20.23521
   52    46 S   CT   _C16    47     1.52199   118.32951  -160.60602
   53    52 S   HC   _H31    48     1.08070   108.35672   -89.15914
   54    52 S   HC   _H32    49     1.08056   108.37191   150.68615
   55    52 S   HC   _H33    50     1.07991   108.40595    31.04697
   56    47 S   C3T  _C12    55     1.50250   103.76434  -122.31798
   57    56 S   HC   _H29    56     1.07689   116.78004  -149.47640
   58    50 S   CO4  _C9_    66     1.37151   116.31723  -179.96044
   59    58 S   O    _O22    67     1.22595   124.69892    -0.02798
   60    33 S   CO4  _C8_    42     1.52260   106.94731   -42.61424
   61    60 S   O    _O21    43     1.23062   122.18934    97.47782
   62    51 S   NE   _N18    44     1.36545   127.96709   174.01437
   63    62 S   H    _H40    45     0.99553   118.56802     0.06561
   64    62 S   H    _H41    46     0.99702   118.52415  -179.98022
   65    56 S   C3T  _C13    57     1.49422   109.14040    -7.76101
   66    65 S   HC   _H30    58     1.07840   120.11929  -141.04342
   67    58 S   N    _N19    68     1.37288   111.00989   180.00000
   68    67 S   H    _H42    69     1.01459   119.32985   179.96574
   69    67 S   H    _H43    70     1.01446   121.40019    -0.01978
   70    42 S   CO   _C15    59     1.47369   113.03463   -14.22284
   71    56 S   NTH  _N16    76     1.45339   119.56420    57.13310
   72    71 S   H    _H39    77     1.01823   110.93389     6.95206
   73    70 S   OS   _O24    71     1.42706   110.86077  -119.50665
   74    73 S   CT   _C17    72     1.41969   111.28552    33.27591
   75    74 S   HC   _H34    73     1.09248   109.50067  -179.95154
   76    74 S   HC   _H35    74     1.09268   109.53032    59.20582
   77    74 S   HC   _H36    75     1.09308   108.99993   -60.40682
  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  11   5   4   3
  19   2   1   1  18  19   9  12   4  14  10   4   3  10  10   6
   5   6   9   5   2   1   1   7   5   4   3   5   1   2   1   1
   6   4   2   1   1   7   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    60    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    51    60    61    42    70    38    39    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    46    51    60    61    62    42    47    65    70    38    39    43    44    45    50    73  
   35    36  
   36  
    0  
   40    41    46    51    60    61    52    42    47    48    49    56    65    70    38    39    43    73  
   39    43    44    45    50    58    73    74    71    40    42    47    51    56    60    61    65    66    70  
   43    44    45    50    73    42    60    65    70  
   41    46    51    60    62    52    53    54    55    42    47    70  
   46    51    52    42  
   47    48    49    56    57    65    66    70    43    73    74    71    46    60  
   44    45    50    58    59    67    73    60    65    70  
   45    50    58    70  
   50    58    70  
   51    60    61    62    63    64    52    53    54    55  
   48    49    56    57    65    66    70    73    71    72  
   49    56    57    65    70    71  
   56    57    65    70    71  
   58    59    67    68    69    70  
   60    61    62    63    64    52    53    54    55  
   53    54    55    60    62  
   54    55  
   55  
    0  
   57    65    66    70    73    71    72  
   65    66    70    71    72  
   59    67    68    69  
   67    68    69  
   61    62    63    64    70  
   62  
   63    64  
   64  
    0  
   66    70    73    74    71    72  
   70    73    71    72  
   68    69  
   69  
    0  
   73    74    75    76    77    71    72  
   72    73  
    0  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.2500   0.1700  -0.375800   1.9050   1.6860   0.051222218  -2.220205820
   43   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   60   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.2500   0.1700  -0.725400   1.8650   1.6500   0.051222218  -2.220205820
   63   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   64   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   68   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   69   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   70   3.5000   0.0660   0.322500   1.9750   1.7500   0.005000000  -0.741685710
   71   3.3000   0.1700  -0.625000   2.1120   1.8750   0.051222218  -2.220205820
   72   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   73   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   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
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    60   317.000  1.522
   33    38   268.000  1.529
   37    40   465.000  1.376
   37    42   425.000  1.378
   40    41   745.000  1.250
   40    46   465.000  1.376
   46    51   549.000  1.340
   46    52   317.000  1.510
   51    60   320.000  1.462
   51    62   425.000  1.378
   60    61   570.000  1.229
   62    63   434.000  1.010
   62    64   434.000  1.010
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   42    47   382.000  1.448
   42    70   320.000  1.442
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    56   275.000  1.510
   56    57   340.000  1.088
   56    65   260.000  1.509
   56    71   315.000  1.448
   65    66   340.000  1.088
   65    70   275.000  1.510
   65    71   315.000  1.448
   70    38   250.000  1.527
   70    73   320.000  1.380
   38    39   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   320.000  1.410
   50    58   214.000  1.327
   58    59   570.000  1.229
   58    67   435.000  1.380
   67    68   434.000  1.010
   67    69   434.000  1.010
   73    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   71    72   500.000  1.015
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    60    75.00000  110.18000
   29    33    38    75.00000  111.63000
   33    37    40    70.00000  124.00000
   33    37    42    75.00000  116.24600
   33    60    51    65.00000  118.62400
   33    60    61    80.00000  120.40000
   33    38    70    75.00000  109.43000
   33    38    39    37.50000  110.70000
   33    38    43    58.35000  112.70000
   37    40    41    65.00000  137.10300
   37    40    46    70.00000  123.01800
   37    42    47    50.00000  121.00000
   37    42    70    50.00000  121.00000
   40    46    51    70.00000  117.34000
   40    46    52    70.00000  124.00000
   46    40    41    65.00000  137.10300
   46    51    60    65.00000  118.96000
   46    51    62    70.00000  124.03900
   46    52    53    35.00000  109.50000
   46    52    54    35.00000  109.50000
   46    52    55    35.00000  109.50000
   51    60    61    80.00000  123.72100
   51    62    63    35.00000  114.50000
   51    62    64    35.00000  114.50000
   60    33    37    70.00000  109.06800
   62    51    60    70.00000  117.92000
   64    62    63    35.00000  109.00000
   52    46    51    70.00000  124.00000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   42    37    40    70.00000  124.03900
   42    47    48    35.00000  109.50000
   42    47    49    35.00000  109.50000
   42    47    56    80.00000  111.61500
   42    70    65    85.00000  109.98000
   42    70    38    85.00000  109.98000
   42    70    73    95.00000  112.71300
   47    56    57    40.00000  115.04500
   47    56    65    60.00000  120.94000
   47    56    71    80.00000  111.29100
   49    47    48    33.00000  107.80000
   56    47    48    45.00000  109.38400
   56    47    49    45.00000  109.38400
   56    65    66    37.50000  117.20000
   56    65    70    60.00000  120.94000
   56    65    71    30.00000   60.00000
   56    71    65    10.00000   60.00000
   56    71    72    50.00000  109.23200
   65    56    57    37.50000  117.20000
   65    70    38    65.00000  112.71400
   65    70    73    90.00000  108.56700
   65    71    72    50.00000  109.23200
   70    42    47    50.00000  115.00000
   70    65    66    40.00000  115.04500
   70    38    39    45.00000  108.72000
   70    38    43    75.00000  109.43000
   70    73    74    60.00000  109.50000
   38    33    37    70.00000  112.02700
   38    33    60    63.00000  111.10000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    50    50.00000  109.50000
   43    38    39    37.50000  110.70000
   43    50    58    83.00000  116.90000
   45    43    44    33.00000  107.80000
   50    43    44    35.00000  109.50000
   50    43    45    35.00000  109.50000
   50    58    59    83.00000  123.40000
   50    58    67   110.00000  108.75700
   58    67    68    50.00000  116.34900
   58    67    69    50.00000  116.34900
   67    58    59    85.00000  125.96000
   69    67    68    35.00000  120.00000
   73    70    38    90.00000  108.56700
   73    74    75    35.00000  109.50000
   73    74    76    35.00000  109.50000
   73    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
   71    56    57    50.00000  110.59500
   71    56    65    30.00000   60.00000
   71    65    66    50.00000  110.59500
   71    65    70    80.00000  104.84000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    60   0.01700  1.0 1.0
   24    29    33    60  -0.23550 -1.0 2.0
   24    29    33    60   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    42   0.09700  1.0 1.0
   29    33    37    42   0.15600 -1.0 2.0
   29    33    37    42  -0.50800  1.0 3.0
   29    33    60    51   0.65300  1.0 1.0
   29    33    60    51  -0.03850 -1.0 2.0
   29    33    60    51   0.33900  1.0 3.0
   29    33    60    61   0.30150 -1.0 2.0
   29    33    38    70   0.44750  1.0 1.0
   29    33    38    70  -0.17800 -1.0 2.0
   29    33    38    70   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    46   7.00000 -1.0 2.0
   33    37    42    47   1.00000 -1.0 2.0
   33    37   -42    70   1.00000 -1.0 2.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    50   0.62750  1.0 1.0
   33    38    43    50  -0.30950 -1.0 2.0
   33    38    43    50   0.27300  1.0 3.0
   37    33    60    51   0.65300  1.0 1.0
   37    33    60    51  -0.03850 -1.0 2.0
   37    33    60    51   0.33900  1.0 3.0
   37    33    60    61   0.30150 -1.0 2.0
   37    33   -38    70   0.34400  1.0 1.0
   37    33   -38    70   0.09450 -1.0 2.0
   37    33   -38    70   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    43   0.34400  1.0 1.0
   37    33    38    43   0.09450 -1.0 2.0
   37    33    38    43   0.11100  1.0 3.0
   37    40   -46    51   7.00000 -1.0 2.0
   37    40    46    52   7.00000 -1.0 2.0
   37    42    47    48   0.00000  1.0 1.0
   37    42    47    49   0.00000  1.0 1.0
   37    42    47    56   0.25450  1.0 1.0
   37    42    47    56  -0.61700 -1.0 2.0
   37    42    47    56  -0.23550  1.0 3.0
   37    42    70    65   0.25450  1.0 1.0
   37    42    70    65  -0.61700 -1.0 2.0
   37    42    70    65  -0.23550  1.0 3.0
   37    42   -70    38   0.25450  1.0 1.0
   37    42   -70    38  -0.61700 -1.0 2.0
   37    42   -70    38  -0.23550  1.0 3.0
   37    42    70    73   0.75000  1.0 1.0
   37    42    70    73  -0.75000 -1.0 2.0
   40    37    42    47  -0.54700  1.0 1.0
   40    37    42    47   1.23000 -1.0 2.0
   40    37    42    70  -0.54700  1.0 1.0
   40    37    42    70   1.23000 -1.0 2.0
   40    46    51    60   7.00000 -1.0 2.0
   40    46    51    62   7.00000 -1.0 2.0
   40    46    52    53   0.00000  1.0 1.0
   40    46    52    54   0.00000  1.0 1.0
   40    46    52    55   0.00000  1.0 1.0
   41    40    46    51   7.00000 -1.0 2.0
   41    40    46    52   7.00000 -1.0 2.0
   46    51   -60    33  -0.33500  1.0 1.0
   46    51   -60    33   1.06600 -1.0 2.0
   46    51   -60    33  -0.14000  1.0 3.0
   46    51    60    61   1.00000 -1.0 2.0
   46    51    62    63   1.00000 -1.0 2.0
   46    51    62    64   1.00000 -1.0 2.0
   51    46    52    53   0.00000  1.0 1.0
   51    46    52    54   0.00000  1.0 1.0
   51    46    52    55   0.00000  1.0 1.0
   60    33   -37    40  -0.51250  1.0 1.0
   60    33   -37    40  -0.88800 -1.0 2.0
   60    33   -37    40   0.08850  1.0 3.0
   60    33    37    42   0.09700  1.0 1.0
   60    33    37    42   0.15600 -1.0 2.0
   60    33    37    42  -0.50800  1.0 3.0
   60    33    38    70  -0.95700  1.0 1.0
   60    33    38    70  -0.18200 -1.0 2.0
   60    33    38    70   0.29450  1.0 3.0
   60    33    38    39  -0.11250  1.0 3.0
   60    33    38    43  -0.95700  1.0 1.0
   60    33    38    43  -0.18200 -1.0 2.0
   60    33    38    43   0.29450  1.0 3.0
   60    51    62    63   1.00000 -1.0 2.0
   60    51    62    64   1.00000 -1.0 2.0
   62    51    60    33   1.50000 -1.0 2.0
   62    51    60    61  -0.52200  1.0 1.0
   62    51    60    61   0.82950 -1.0 2.0
   52    46    51    60   7.00000 -1.0 2.0
   52    46    51    62   7.00000 -1.0 2.0
   42    37    40    41   7.00000 -1.0 2.0
   42    37    40    46   7.00000 -1.0 2.0
   42    47    56    57   0.22950  1.0 3.0
   42    47   -56    65   1.26750  1.0 1.0
   42    47   -56    65  -0.00950 -1.0 2.0
   42    47   -56    65   0.30600  1.0 3.0
   42    47    56    71   4.29400  1.0 1.0
   42    47    56    71   0.12050 -1.0 2.0
   42    70   -38    33   1.26750  1.0 1.0
   42    70   -38    33  -0.00950 -1.0 2.0
   42    70   -38    33   0.30600  1.0 3.0
   42    70    38    39   0.22950  1.0 3.0
   42    70    38    43   1.26750  1.0 1.0
   42    70    38    43  -0.00950 -1.0 2.0
   42    70    38    43   0.30600  1.0 3.0
   42    70    73    74  -0.25000  1.0 1.0
   42    70    73    74  -0.75000 -1.0 2.0
   42    70    73    74   0.50000  1.0 3.0
   47    42   -70    65   0.00000  1.0 1.0
   47    42    70    38   0.00000  1.0 1.0
   47    42    70    73   0.00000  1.0 1.0
   47    56    65    66   0.15000  1.0 3.0
   47    56   -65    70   3.97050  1.0 1.0
   47    56   -65    71   1.53400  1.0 1.0
   47    56   -65    71  -0.09950 -1.0 2.0
   47    56   -65    71   0.05700  1.0 3.0
   47    56   -71    65  -0.35450  1.0 1.0
   47    56   -71    65   0.44050 -1.0 2.0
   47    56   -71    65   0.77100  1.0 3.0
   47    56    71    72   0.03200  1.0 1.0
   47    56    71    72   0.33800 -1.0 2.0
   48    47    56    57   0.15000  1.0 3.0
   48    47    56    65   0.15000  1.0 3.0
   48    47    56    71   0.15000  1.0 3.0
   49    47    56    57   0.15000  1.0 3.0
   49    47    56    65   0.15000  1.0 3.0
   49    47    56    71   0.15000  1.0 3.0
   56    65   -70    42   1.26750  1.0 1.0
   56    65   -70    42  -0.00950 -1.0 2.0
   56    65   -70    42   0.30600  1.0 3.0
   56    65    70    38   0.07850  1.0 1.0
   56    65    70    38  -0.03950 -1.0 2.0
   56    65    70    38   0.67350  1.0 3.0
   56    65    70    73  -0.26800  1.0 1.0
   56    65    70    73   0.69150 -1.0 2.0
   56    65    70    73  -0.48750  1.0 3.0
   56    65   -71    72   0.03200  1.0 1.0
   56    65   -71    72   0.33800 -1.0 2.0
   57    56    65    66   0.15000  1.0 3.0
   57    56    65    70   0.15000  1.0 3.0
   57    56   -65    71   0.15000  1.0 3.0
   57    56   -71    65   0.28000  1.0 3.0
   57    56    71    72   0.20000  1.0 3.0
   65    56   -71    72   0.03200  1.0 1.0
   65    56   -71    72   0.33800 -1.0 2.0
   65    70    38    33   0.47050  1.0 1.0
   65    70    38    33   0.03900 -1.0 2.0
   65    70    38    33   0.20100  1.0 3.0
   65    70    38    39   0.15000  1.0 3.0
   65    70    38    43   0.47050  1.0 1.0
   65    70    38    43   0.03900 -1.0 2.0
   65    70    38    43   0.20100  1.0 3.0
   65    70    73    74   0.06250  1.0 1.0
   65    70    73    74  -0.01100 -1.0 2.0
   65    70    73    74   0.28050  1.0 3.0
   66    65    70    42   0.22950  1.0 3.0
   66    65    70    38   0.15000  1.0 3.0
   66    65    70    73   0.23400  1.0 3.0
   66    65   -71    56   0.28000  1.0 3.0
   66    65    71    72   0.20000  1.0 3.0
   70    42    47    48   0.00000  1.0 1.0
   70    42    47    49   0.00000  1.0 1.0
   70    42   -47    56   0.00000  1.0 1.0
   70    65   -71    56  -0.35450  1.0 1.0
   70    65   -71    56   0.44050 -1.0 2.0
   70    65   -71    56   0.77100  1.0 3.0
   70    65    71    72   0.03200  1.0 1.0
   70    65    71    72   0.33800 -1.0 2.0
   70    38    43    44   0.15000  1.0 3.0
   70    38    43    45   0.15000  1.0 3.0
   70    38    43    50   0.62750  1.0 1.0
   70    38    43    50  -0.30950 -1.0 2.0
   70    38    43    50   0.27300  1.0 3.0
   70    73    74    75   0.37050  1.0 3.0
   70    73    74    76   0.37050  1.0 3.0
   70    73    74    77   0.37050  1.0 3.0
   38    33    37    40   0.09850  1.0 1.0
   38    33    37    40   0.15250 -1.0 2.0
   38    33    37    40  -0.50650  1.0 3.0
   38    33   -37    42  -0.93550  1.0 1.0
   38    33   -37    42   0.38900 -1.0 2.0
   38    33   -37    42   0.16950  1.0 3.0
   38    33    60    51   0.65300  1.0 1.0
   38    33    60    51  -0.03850 -1.0 2.0
   38    33    60    51   0.33900  1.0 3.0
   38    33    60    61   0.30150 -1.0 2.0
   38    70    73    74   0.06250  1.0 1.0
   38    70    73    74  -0.01100 -1.0 2.0
   38    70    73    74   0.28050  1.0 3.0
   38    43    50    58  -0.25900  1.0 1.0
   38    43    50    58  -0.47000 -1.0 2.0
   38    43    50    58   0.11750  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    50   0.23400  1.0 3.0
   43    50    58    59   3.00000 -1.0 2.0
   43    50    58    67  -0.80800  1.0 1.0
   43    50    58    67   2.06850 -1.0 2.0
   44    43    50    58   0.08050  1.0 3.0
   45    43    50    58   0.08050  1.0 3.0
   50    58    67    68   2.56700 -1.0 2.0
   50    58    67    69   2.56700 -1.0 2.0
   59    58    67    68   2.45000 -1.0 2.0
   59    58    67    69   2.45000 -1.0 2.0
   73    70    38    33   0.62750  1.0 1.0
   73    70    38    33  -0.30950 -1.0 2.0
   73    70    38    33   0.27300  1.0 3.0
   73    70    38    39   0.23400  1.0 3.0
   73    70    38    43   0.62750  1.0 1.0
   73    70    38    43  -0.30950 -1.0 2.0
   73    70    38    43   0.27300  1.0 3.0
   71    56   -65    66   0.15000  1.0 3.0
   71    56   -65    70   1.53400  1.0 1.0
   71    56   -65    70  -0.09950 -1.0 2.0
   71    56   -65    70   0.05700  1.0 3.0
   71    65   -70    42   4.29400  1.0 1.0
   71    65   -70    42   0.12050 -1.0 2.0
   71    65    70    38   1.53400  1.0 1.0
   71    65    70    38  -0.09950 -1.0 2.0
   71    65    70    38   0.05700  1.0 3.0
   71    65    70    73   2.01850  1.0 1.0
   71    65    70    73  -0.32950 -1.0 2.0
   71    65    70    73  -0.50350  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    42    37    40   1.10000 -1.0 2.0
   46    41    40    37   1.10000 -1.0 2.0
   40    52    46    51   1.10000 -1.0 2.0
   60    62    51    46   1.10000 -1.0 2.0
   33    51    60    61  10.50000 -1.0 2.0
   64    51    62    63   1.00000 -1.0 2.0
   70    37    42    47   1.00000 -1.0 2.0
   50    67    58    59  10.50000 -1.0 2.0
   69    58    67    68   1.00000 -1.0 2.0
END
