* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    151    223     426
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02037    82.60443   -80.21233
    3     1 S   H    _H1_     3     1.02079    96.89358    27.85111
    4     1 S   H    _H2_     4     1.02048    34.74824   140.95936
    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     1.08491   110.56590    58.77998
   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   _C13    36     1.85648    97.42197   161.85740
   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   CT   _C9_    37     1.55856   107.19696   -79.97582
   38    37 S   HC   _H32    38     1.08785   110.89684    52.70937
   39    37 S   HC   _H33    39     1.08969   109.87941   171.19328
   40    33 S   CT   _C18    71     1.53905   106.18361    35.89118
   41    40 S   HC   _H46    72     1.08559   109.16522    45.02364
   42    40 S   HC   _H47    73     1.08607   109.09556   -74.30073
   43    37 S   S    _S29    40     1.84413   114.87810   -68.85534
   44    40 S   S    _S30    74     1.80588   109.84852   165.38323
   45    43 S   C4T  _C11    41     1.80234    93.48216   -59.02859
   46    45 S   HC   _H35    42     1.11945   114.49389   -63.59473
   47    44 S   CRA  _C5_    75     1.76825   100.19381  -180.00000
   48    45 S   C4T  _C12    43     1.53708   117.85965   154.38862
   49    45 S   N4   _N21    46     1.47057   107.95210    59.27650
   50    47 S   N5B  _N17    76     1.31338   127.59882    -0.02798
   51    48 S   C4   _C6_    44     1.55896    83.52359  -127.30390
   52    51 S   O    _O23    45     1.20793   137.03645  -160.22590
   53    33 S   CT1  _C10    47     1.56569   112.37504   155.46936
   54    53 S   HC   _H34    48     1.04297   109.62808  -163.65224
   55    48 S   N    _N22    53     1.46689   112.85734   -16.37579
   56    55 S   H    _H48    54     1.00340   115.85890    28.50548
   57    48 S   OS   _O27    66     1.43590   119.06531   120.88933
   58    50 S   N5B  _N18    77     1.37638   105.62577  -179.94405
   59    53 S   C    _C7_    49     1.50341   112.63385   -44.06767
   60    59 S   OC3  _O24    50     1.22229   125.07783    89.12174
   61    55 S   C    _C8_    55     1.37039   122.29727  -152.09157
   62    61 S   O    _O25    56     1.23050   126.24059    -0.06256
   63    57 S   CT   _C15    67     1.41433   111.16268   -64.99415
   64    63 S   HC   _H39    68     1.09210   109.52741  -179.97202
   65    63 S   HC   _H40    69     1.09331   109.51699    59.21934
   66    63 S   HC   _H41    70     1.09313   108.97354   -60.33263
   67    58 S   N5A  _N19    78     1.32827   111.07490    -0.00000
   68    59 S   OH   _O26    51     1.35535   110.67655   -90.65711
   69    68 S   HO   _H49    52     0.98149   111.90231   179.83687
   70    61 S   CT   _C17    57     1.51008   112.04033  -179.22924
   71    70 S   HC   _H44    58     1.09264   111.72950   119.99236
   72    70 S   HC   _H45    59     1.09431   108.78373     0.72253
   73    47 S   NA   _N20    79     1.35812   123.83563  -179.97202
   74    70 S   S    _S31    60     1.80962   108.92186  -119.04329
   75    73 S   CT   _C14    80     1.44055   129.91639    -0.09279
   76    75 S   HC   _H36    81     1.09273   107.97245    89.97148
   77    75 S   HC   _H37    82     1.09357   109.49765  -149.67449
   78    75 S   HC   _H38    83     1.09382   109.25815   -30.28477
   79    74 S   CT   _C16    61     1.80870    98.55485    59.97292
   80    79 S   HC   _H42    62     1.09433   108.36884   -78.11053
   81    79 S   HC   _H43    63     1.09437   108.23531    38.37712
   82    79 S   CZ   _C4_    64     1.46400   111.98016   159.99424
   83    82 S   NZ   _N16    65     1.16032   179.70392   179.07085
  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  13   5   4   3
  17   2   1   1  14   5   4  11   4   3   8   7  13   6   8  14
   9   4   9   3   5   3   9   4   5   3   3   2   6   4   3   2
   1   1   5   1   1   7   3   2   4   5   3   2   1   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    53    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    49    53    54    59    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    45    51    49    53    54    59    60    68    40    41    42    44    47  
   35    36  
   36  
    0  
   38    39    43    45    46    48    49    53    54    59    40    41    42    44  
   39    43    45    53    40  
   43    45    53    40  
   41    42    44    47    50    73    43    49    53    54    59  
   42    44    47    53  
   44    47    53  
   45    46    48    51    49    53    55    57  
   47    50    58    67    73    75    53  
   46    48    51    52    49    53    54    59    55    56    61    57    63  
   48    51    49    53    55    57  
   50    58    67    73    75    76    77    78  
   51    52    49    53    55    56    61    62    70    57    63    64    65    66  
   53    54    59    60    68    55    57    51    52  
   58    67    73    75  
   52    53    54    59    55    56    61    57    63  
   53    55    57  
   54    59    60    68    69  
   59    60    68  
   56    61    62    70    71    72    74    57    63  
   61    62    70    57  
   63    64    65    66    61  
   67    73    75  
   60    68    69  
   68    69  
   62    70    71    72    74    79  
   70    71    72    74  
   64    65    66  
   65    66  
   66  
    0  
   73    75    76    77    78  
   69  
    0  
   71    72    74    79    80    81    82  
   72    74    79  
   74    79  
   75    76    77    78  
   79    80    81    82    83  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    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   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.6000   0.3550  -0.320000   2.0300   1.8000   0.025682759  -1.666211680
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0700   0.552100   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660   0.366500   1.9750   1.7500   0.005000000  -0.741685710
   49   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   50   3.2800   0.1700  -0.392400   1.8000   1.6000   0.001000000  -0.511443539
   51   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   53   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.2500   0.1700  -0.466500   2.1120   1.8750   0.051222218  -2.220205820
   56   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   57   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.2800   0.1700  -0.040200   1.8650   1.6500   0.001000000  -0.511443539
   59   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   61   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.2800   0.1700  -0.248300   1.8650   1.6500   0.001000000  -0.511443539
   68   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.2500   0.1700   0.158800   1.8000   1.6000   0.001000000  -0.511443539
   74   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   75   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.3000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.3000   0.0660   0.460000   2.0580   1.8250   0.025318638  -1.264311570
   83   3.2800   0.1700  -0.560000   2.2500   2.0000   0.024786691  -1.117108600
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   268.000  1.529
   33    53   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   222.000  1.810
   43    45   200.000  1.824
   45    46   340.000  1.090
   45    48   268.000  1.529
   45    49   305.000  1.456
   48    51   250.000  1.540
   48    55   337.000  1.449
   48    57   320.000  1.410
   51    52   930.000  1.212
   51    49   440.000  1.369
   49    53   337.000  1.449
   53    54   340.000  1.090
   53    59   317.000  1.522
   59    60   570.000  1.229
   59    68   450.000  1.364
   68    69   553.000  0.945
   55    56   434.000  1.010
   55    61   490.000  1.335
   61    62   570.000  1.229
   61    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    74   222.000  1.810
   74    79   222.000  1.810
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   390.000  1.470
   82    83   650.000  1.157
   57    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   222.000  1.810
   44    47   245.000  1.755
   47    50   488.000  1.335
   47    73   477.000  1.343
   50    58   290.000  1.379
   58    67   420.000  1.291
   67    73   400.000  1.349
   73    75   320.000  1.443
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
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  111.63000
   29    33    53    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    75.00000  111.63000
   33    53    49    80.00000  109.70000
   33    53    54    37.50000  110.70000
   33    53    59    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    75.00000  111.63000
   37    43    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    45.00000  109.41400
   43    45    48    65.00000  119.05700
   43    45    49    80.00000  108.62000
   45    48    51   100.00000   86.36000
   45    48    55    80.00000  110.05700
   45    48    57    50.00000  109.50000
   45    49    51   100.00000   93.00000
   45    49    53    50.00000  132.70000
   48    45    46    37.50000  110.70000
   48    51    52    60.00000  136.58000
   48    51    49    95.00000   92.72400
   48    55    56    38.00000  118.40000
   48    55    61    50.00000  121.90000
   48    57    63    60.00000  109.50000
   51    49    53    50.00000  132.10000
   49    45    46    50.00000  112.01000
   49    45    48   105.00000   87.49700
   49    51    52    75.00000  131.60000
   49    53    54    35.00000  109.50000
   49    53    59    63.00000  110.10000
   53    33    37    58.35000  112.70000
   53    59    60    75.00000  119.65400
   53    59    68    80.00000  116.87500
   59    53    54    35.00000  109.50000
   59    68    69    35.00000  113.00000
   68    59    60    80.00000  121.00000
   55    48    51    75.00000  110.24000
   55    61    62    80.00000  122.90000
   55    61    70    70.00000  116.60000
   61    55    56    35.00000  119.80000
   61    70    71    35.00000  109.50000
   61    70    72    35.00000  109.50000
   61    70    74    70.00000  112.33000
   70    61    62    80.00000  120.40000
   70    74    79    62.00000   98.90000
   72    70    71    33.00000  107.80000
   74    70    71    35.00000  109.50000
   74    70    72    35.00000  109.50000
   74    79    80    35.00000  109.50000
   74    79    81    35.00000  109.50000
   74    79    82    75.00000  110.06000
   79    82    83   150.00000  180.00000
   81    79    80    33.00000  107.80000
   82    79    80    35.00000  108.50000
   82    79    81    35.00000  108.50000
   57    48    51    90.00000  108.55600
   57    48    55    95.00000  111.00000
   57    63    64    35.00000  109.50000
   57    63    65    35.00000  109.50000
   57    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    53    58.35000  112.70000
   40    44    47    85.00000   97.05500
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    47    50    70.00000  126.12900
   44    47    73    70.00000  123.45500
   47    50    58   100.00000  108.10500
   47    73    67    95.00000  110.06400
   47    73    75    60.00000  127.66100
   50    58    67   100.00000  111.97400
   58    67    73   110.00000  106.81600
   67    73    75    75.00000  118.68000
   73    47    50    70.00000  120.00000
   73    75    76    50.00000  108.61900
   73    75    77    50.00000  108.61900
   73    75    78    50.00000  108.61900
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    53    49   0.71400  1.0 1.0
   29    33    53    49   0.04300 -1.0 2.0
   29    33    53    49   0.01450  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    59  -2.17200  1.0 1.0
   29    33    53    59  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    43    45  -0.25000 -1.0 2.0
   33    37    43    45  -0.01800  1.0 3.0
   33    53    59    60   0.27300 -1.0 2.0
   33    53    59    68   0.50000  1.0 1.0
   33    53    59    68   0.27300 -1.0 2.0
   33    53    59    68   0.22500  1.0 3.0
   33    40    44    47  -0.35400  1.0 1.0
   33    40    44    47  -0.24450 -1.0 2.0
   33    40    44    47   0.44000  1.0 3.0
   37    33    53    49   0.42250  1.0 1.0
   37    33    53    49  -0.48100 -1.0 2.0
   37    33    53    49   0.35650  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    59  -0.84850  1.0 1.0
   37    33    53    59  -0.22800 -1.0 2.0
   37    33    53    59   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    44   0.44750  1.0 1.0
   37    33    40    44  -0.17800 -1.0 2.0
   37    33    40    44   0.20200  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    48   0.25150  1.0 1.0
   37    43    45    48  -1.17200 -1.0 2.0
   37    43    45    48   0.53050  1.0 3.0
   37    43   -45    49   0.01700  1.0 1.0
   37    43   -45    49  -0.23550 -1.0 2.0
   37    43   -45    49   0.21350  1.0 3.0
   38    37    43    45   0.32350  1.0 3.0
   39    37    43    45   0.32350  1.0 3.0
   43    45    48    51   0.00000  1.0 1.0
   43    45    48    55   0.00000  1.0 1.0
   43    45    48    57   0.00000  1.0 1.0
   43    45   -49    51   0.00000  1.0 1.0
   43    45    49    53   0.00000  1.0 1.0
   45    48    51    52  -0.11250  1.0 1.0
   45    48    51    52   0.11400 -1.0 2.0
   45    48    51    52  -0.28950  1.0 3.0
   45    48   -51    49   3.00000 -1.0 2.0
   45    48    55    56   0.00000  1.0 1.0
   45    48    55    61  -0.43950  1.0 1.0
   45    48    55    61  -0.08100 -1.0 2.0
   45    48    55    61   0.03350  1.0 3.0
   45    48    57    63   0.06250  1.0 1.0
   45    48    57    63  -0.01100 -1.0 2.0
   45    48    57    63   0.28050  1.0 3.0
   45    49   -53    33   0.00000  1.0 1.0
   45    49    53    54   0.00000  1.0 1.0
   45    49    53    59   0.00000  1.0 1.0
   46    45    48    51   0.15000  1.0 3.0
   46    45    48    55   0.15000  1.0 3.0
   46    45    48    57   0.15000  1.0 3.0
   46    45   -49    51   0.00000  1.0 1.0
   46    45    49    53   0.00000  1.0 1.0
   48    45   -49    51   0.00000  1.0 1.0
   48    45    49    53   0.00000  1.0 1.0
   48    51   -49    45   3.00000 -1.0 2.0
   48    51   -49    53   3.00000 -1.0 2.0
   48    55    61    62   3.04450 -1.0 2.0
   48    55    61    70   1.49850  1.0 1.0
   48    55    61    70   1.53950 -1.0 2.0
   48    57    63    64   0.37050  1.0 3.0
   48    57    63    65   0.37050  1.0 3.0
   48    57    63    66   0.37050  1.0 3.0
   51    48    55    56   0.00000  1.0 1.0
   51    48    55    61  -0.42300  1.0 1.0
   51    48    55    61  -0.07000 -1.0 2.0
   51    48    55    61   0.04150  1.0 3.0
   51    48    57    63  -1.11000  1.0 1.0
   51    48    57    63   0.50250 -1.0 2.0
   51    48    57    63   0.47450  1.0 3.0
   51    49    53    33   0.00000  1.0 1.0
   51    49    53    54   0.00000  1.0 1.0
   51    49    53    59   0.00000  1.0 1.0
   52    51   -49    45   3.00000 -1.0 2.0
   52    51    49    53   3.00000 -1.0 2.0
   49    45   -48    51   3.00000 -1.0 2.0
   49    45    48    55   2.20050  1.0 1.0
   49    45    48    55   0.63450 -1.0 2.0
   49    45    48    55  -0.91300  1.0 3.0
   49    45    48    57   1.12100  1.0 1.0
   49    45    48    57  -0.16500 -1.0 2.0
   49    53    59    60   0.00000  1.0 1.0
   49    53    59    68   0.40000  1.0 3.0
   53    33    37    38   0.15000  1.0 3.0
   53    33    37    39   0.15000  1.0 3.0
   53    33   -37    43   0.44750  1.0 1.0
   53    33   -37    43  -0.17800 -1.0 2.0
   53    33   -37    43   0.20200  1.0 3.0
   53    33    40    41   0.15000  1.0 3.0
   53    33    40    42   0.15000  1.0 3.0
   53    33    40    44   0.44750  1.0 1.0
   53    33    40    44  -0.17800 -1.0 2.0
   53    33    40    44   0.20200  1.0 3.0
   53    59    68    69   1.50000  1.0 1.0
   53    59    68    69   2.45000 -1.0 2.0
   54    53    59    60   0.00000  1.0 1.0
   54    53    59    68   0.00000  1.0 1.0
   60    59    68    69   2.45000 -1.0 2.0
   55    48    51    52   0.30150 -1.0 2.0
   55    48   -51    49   0.00000  1.0 1.0
   55    48    57    63  -2.37750  1.0 1.0
   55    48    57    63  -0.08150 -1.0 2.0
   55    48    57    63   0.59000  1.0 3.0
   55    61    70    71   0.00000  1.0 1.0
   55    61    70    72   0.00000  1.0 1.0
   55    61    70    74   0.00000  1.0 1.0
   56    55    61    62   2.45000 -1.0 2.0
   56    55    61    70   2.45000 -1.0 2.0
   61    70    74    79   0.01700  1.0 1.0
   61    70    74    79  -0.23550 -1.0 2.0
   61    70    74    79   0.21350  1.0 3.0
   62    61    70    71   0.00000  1.0 1.0
   62    61    70    72   0.00000  1.0 1.0
   62    61    70    74   0.30150 -1.0 2.0
   70    74    79    80   0.32350  1.0 3.0
   70    74    79    81   0.32350  1.0 3.0
   70    74    79    82   0.01700  1.0 1.0
   70    74    79    82  -0.23550 -1.0 2.0
   70    74    79    82   0.21350  1.0 3.0
   71    70    74    79   0.32350  1.0 3.0
   72    70    74    79   0.32350  1.0 3.0
   74    79    82    83   0.00000  1.0 1.0
   80    79    82    83   0.00000  1.0 1.0
   81    79    82    83   0.00000  1.0 1.0
   57    48    51    52   0.30150 -1.0 2.0
   57    48   -51    49   0.00000  1.0 1.0
   57    48    55    56   0.00000  1.0 1.0
   57    48    55    61  -2.75650  1.0 1.0
   57    48    55    61  -1.18150 -1.0 2.0
   57    48    55    61   0.81900  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.44750  1.0 1.0
   40    33    37    43  -0.17800 -1.0 2.0
   40    33    37    43   0.20200  1.0 3.0
   40    33    53    49   0.42250  1.0 1.0
   40    33    53    49  -0.48100 -1.0 2.0
   40    33    53    49   0.35650  1.0 3.0
   40    33    53    54   0.15000  1.0 3.0
   40    33    53    59  -0.84850  1.0 1.0
   40    33    53    59  -0.22800 -1.0 2.0
   40    33    53    59   0.29250  1.0 3.0
   40    44    47    50   0.63150 -1.0 2.0
   40    44    47    73   0.63150 -1.0 2.0
   41    40    44    47   0.24000  1.0 3.0
   42    40    44    47   0.24000  1.0 3.0
   44    47    50    58   3.62500 -1.0 2.0
   44    47    73    67   3.62500 -1.0 2.0
   44    47    73    75   3.62500 -1.0 2.0
   47    50   -58    67   3.62500 -1.0 2.0
   47    73    75    76   0.00000  1.0 1.0
   47    73    75    77   0.00000  1.0 1.0
   47    73    75    78   0.00000  1.0 1.0
   50    47   -73    67   3.62500 -1.0 2.0
   50    47    73    75   3.62500 -1.0 2.0
   50    58   -67    73   3.62500 -1.0 2.0
   58    67   -73    47   3.62500 -1.0 2.0
   58    67    73    75   3.62500 -1.0 2.0
   67    73    75    76   0.00000  1.0 1.0
   67    73    75    77   0.00000  1.0 1.0
   67    73    75    78   0.00000  1.0 1.0
   73    47   -50    58   3.62500 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   48    49    51    52  10.50000 -1.0 2.0
   53    51    49    45   1.00000 -1.0 2.0
   53    68    59    60  10.50000 -1.0 2.0
   56    61    55    48   1.00000 -1.0 2.0
   55    70    61    62  10.50000 -1.0 2.0
   50    73    47    44   4.00000 -1.0 2.0
   67    75    73    47   4.00000 -1.0 2.0
END
