* LIGAND DATABASE FILE (OPLS2005)
*
001      86    87    154    229     444
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02062   101.68398    15.79358
    3     1 S   H    _H1_     3     1.02067    39.48273   121.07949
    4     1 S   H    _H2_     4     1.02122    74.84033   -90.66917
    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     1.08639   110.43529    58.98053
   26    24 S   HC   HB22    34     1.08669   109.83319   178.96297
   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   _C22    36     1.87360   100.40665   159.97974
   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   _C13    37     1.53226   106.47874   -60.01084
   38    37 S   HC   _H37    38     1.09025   112.90431   -57.35912
   39    33 S   CT   _C19    69     1.56359   109.48837  -179.35381
   40    39 S   HC   _H49    70     1.10021   107.96378    56.93771
   41    39 S   HC   _H50    71     1.09543   107.75960   -54.50164
   42    33 S   OS   _O24    82     1.44102   110.43113    58.17120
   43    37 S   CMA  _C14    39     1.36228   129.71704   121.24320
   44    43 S   OM   _O23    40     1.26380   128.36372    -0.83439
   45    39 S   CT   _C21    72     1.56417   118.26457  -179.03166
   46    45 S   HC   _H52    73     1.09742   109.12107    32.60396
   47    42 S   CT   _C17    83     1.41964   117.84896    63.35428
   48    47 S   HC   _H44    84     1.09327   109.51624  -180.00000
   49    47 S   HC   _H45    85     1.09253   109.57301    59.25866
   50    47 S   HC   _H46    86     1.09284   109.02217   -60.42367
   51    43 S   NE   _N22    41     1.43086   119.92198   179.24515
   52    45 S   CT   _C15    74     1.54390   109.20856   -83.59369
   53    52 S   HC   _H38    75     1.09361   111.60157   -62.16853
   54    52 S   HC   _H39    76     1.09391   111.84384   177.83843
   55    52 S   HC   _H40    77     1.09394   111.71282    56.62655
   56    45 S   CT   _C23    78     1.56241   112.86966   151.21295
   57    56 S   Cl   CL27    79     1.79491   112.26241    60.06276
   58    56 S   Cl   CL28    80     1.80454   110.86117   -60.88737
   59    56 S   Cl   CL29    81     1.80257   111.31642  -178.70623
   60    51 S   CT   _C16    42     1.46916   122.29250   -90.04867
   61    60 S   HC   _H41    43     1.09350   110.09210   180.00000
   62    60 S   HC   _H42    44     1.09403   110.17500    60.07709
   63    60 S   HC   _H43    45     1.09309   110.26466   -59.95856
   64    51 S   CT   _C20    46     1.47256   124.07214    89.60323
   65    64 S   HC   _H51    47     1.09770   106.10024   177.26971
   66    64 S   CRA  _C12    48     1.51988   110.81327    59.95527
   67    64 S   CT   _C18    55     1.54495   109.89960   -65.79130
   68    67 S   HC   _H47    56     1.09886   109.79041   -35.26898
   69    67 S   HC   _H48    57     1.09752   111.02453    80.75963
   70    66 S   N5B  _N21    49     1.31449   124.46454   -94.05477
   71    67 S   CA   _C11    58     1.51197   113.20150  -155.43227
   72    70 S   C5B  _C9_    50     1.38163   108.86572   179.97202
   73    72 S   HA   _H35    51     1.08114   119.14459  -179.92867
   74    71 S   CA   _C7_    59     1.39485   120.00069    89.95492
   75    74 S   HA   _H33    60     1.08663   120.49850    -0.00000
   76    72 S   C5A  _C10    52     1.37940   115.88010     0.06256
   77    76 S   HA   _H36    53     1.08089   128.60548  -179.90513
   78    74 S   CA   _C5_    61     1.39456   119.98987   180.00000
   79    78 S   HA   _H31    62     1.08624   119.97513  -179.94405
   80    66 S   SA   _S26    54     1.71633   119.07741    85.94006
   81    78 S   CA   _C4_    63     1.39474   120.02708     0.03426
   82    81 S   HA   _H30    64     1.08598   120.04412  -179.93744
   83    81 S   CA   _C6_    65     1.39485   119.98308    -0.02798
   84    83 S   HA   _H32    66     1.08611   120.00101  -179.92338
   85    71 S   CA   _C8_    67     1.39492   119.98397   -90.05505
   86    85 S   HA   _H34    68     1.08637   120.55912     0.02798
  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
  17   2   1   1  12   5  15   6   5   6  10   3   9   8   3   2
   1   1  13   7   3   2   1   3   2   1   1   7   3   2   1  12
   7  10  11   4   3   5   9   4   3   8   4   2   1   6   3   1
   5   3   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    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    39    40    41    45    42    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    51    39    40    41    45    46    52    56    42    47    48    49    50  
   35    36  
   36  
    0  
   38    43    44    51    60    64    39    40    41    45    42    47  
   43    44    51    39    42  
   40    41    45    46    52    53    54    55    56    57    58    59    42    47    43  
   41    45    46    52    56    42  
   45    46    52    56    42  
   47    48    49    50    43    45  
   44    51    60    61    62    63    64    65    66    67  
   51    60    64  
   46    52    53    54    55    56    57    58    59  
   52    53    54    55    56    57    58    59  
   48    49    50  
   49    50  
   50  
    0  
   60    61    62    63    64    65    66    70    80    67    68    69    71  
   53    54    55    56    57    58    59  
   54    55    56  
   55    56  
   56  
   57    58    59  
   58    59  
   59  
    0  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64  
   64  
   65    66    70    72    76    80    67    68    69    71    74    85  
   66    70    80    67    68    69    71  
   70    72    73    76    77    80    67    68    69    71  
   68    69    71    74    75    78    83    85    86    70    80  
   69    71    74    85  
   71    74    85  
   72    73    76    77    80  
   74    75    78    79    81    83    84    85    86  
   73    76    77    80  
   76    77    80  
   75    78    79    81    82    83    85    86  
   78    79    81    85  
   77    80  
   80  
   79    81    82    83    84    85  
   81    82    83  
    0  
   82    83    84    85    86  
   83    84    85  
   84    85    86  
   85    86  
   86  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   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   0.417900   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  -0.785200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660   0.198400   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.2500   0.1700  -0.993100   1.9050   1.6860   0.051222218  -2.220205820
   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  -0.294400   1.9750   1.7500   0.005000000  -0.741685710
   57   3.4000   0.3000   0.012000   2.1950   1.9500   0.001000000   0.320982824
   58   3.4000   0.3000   0.012000   2.1950   1.9500   0.001000000   0.320982824
   59   3.4000   0.3000   0.012000   2.1950   1.9500   0.001000000   0.320982824
   60   3.5000   0.0660   0.055300   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.290300   2.4950   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5500   0.0700   0.185900   2.0020   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700   0.186200   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.098100   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    39   268.000  1.529
   33    42   320.000  1.410
   37    38   340.000  1.080
   37    43   465.000  1.376
   43    44   745.000  1.250
   43    51   415.000  1.382
   51    60   382.000  1.448
   51    64   382.000  1.448
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   295.000  1.488
   64    67   268.000  1.529
   66    70   488.000  1.335
   66    80   250.000  1.765
   70    72   410.000  1.394
   72    73   367.000  1.080
   72    76   520.000  1.370
   76    77   367.000  1.080
   76    80   265.000  1.745
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    71   317.000  1.510
   71    74   469.000  1.400
   71    85   469.000  1.400
   74    75   367.000  1.080
   74    78   469.000  1.400
   78    79   367.000  1.080
   78    81   469.000  1.400
   81    82   367.000  1.080
   81    83   469.000  1.400
   83    84   367.000  1.080
   83    85   469.000  1.400
   85    86   367.000  1.080
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    45   268.000  1.529
   45    46   340.000  1.090
   45    52   268.000  1.529
   45    56   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   56    57   245.000  1.781
   56    58   245.000  1.781
   56    59   245.000  1.781
   42    47   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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  112.20000
   29    33    39    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    43    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    45    58.35000  112.70000
   33    42    47    60.00000  109.50000
   37    43    44    65.00000  137.10300
   37    43    51    75.00000  114.40000
   43    37    38    40.00000  120.50800
   43    51    60    50.00000  121.00000
   43    51    64    50.00000  121.00000
   51    43    44   105.00000  113.92000
   51    60    61    35.00000  109.50000
   51    60    62    35.00000  109.50000
   51    60    63    35.00000  109.50000
   51    64    65    35.00000  109.50000
   51    64    66    75.00000  113.31400
   51    64    67    80.00000  111.61500
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    51    60    50.00000  115.00000
   64    66    70    65.00000  125.57700
   64    66    80    65.00000  125.49400
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    71    70.00000  112.17500
   66    64    65    45.00000  109.19200
   66    70    72    70.00000  110.00000
   66    80    76   120.00000   89.04400
   70    72    73    35.00000  120.00000
   70    72    76    70.00000  111.00000
   72    76    77    35.00000  130.70000
   72    76    80    80.00000  111.29200
   76    72    73    35.00000  128.20000
   80    66    70    80.00000  114.57700
   80    76    77    40.00000  122.38200
   67    64    65    37.50000  110.70000
   67    64    66    70.00000  112.56400
   67    71    74    70.00000  120.00000
   67    71    85    70.00000  120.00000
   69    67    68    33.00000  107.80000
   71    67    68    35.00000  109.50000
   71    67    69    35.00000  109.50000
   71    74    75    35.00000  120.00000
   71    74    78    63.00000  120.00000
   71    85    83    63.00000  120.00000
   71    85    86    35.00000  120.00000
   74    78    79    35.00000  120.00000
   74    78    81    63.00000  120.00000
   78    74    75    35.00000  120.00000
   78    81    82    35.00000  120.00000
   78    81    83    63.00000  120.00000
   81    78    79    35.00000  120.00000
   81    83    84    35.00000  120.00000
   81    83    85    63.00000  120.00000
   83    81    82    35.00000  120.00000
   83    85    86    35.00000  120.00000
   85    71    74    63.00000  120.00000
   85    83    84    35.00000  120.00000
   39    33    37    70.00000  112.02700
   39    45    46    37.50000  110.70000
   39    45    52    58.35000  112.70000
   39    45    56    58.35000  112.70000
   41    39    40    33.00000  107.80000
   45    39    40    37.50000  110.70000
   45    39    41    37.50000  110.70000
   45    52    53    37.50000  110.70000
   45    52    54    37.50000  110.70000
   45    52    55    37.50000  110.70000
   45    56    57    69.00000  109.80000
   45    56    58    69.00000  109.80000
   45    56    59    69.00000  109.80000
   52    45    46    37.50000  110.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   56    45    46    37.50000  110.70000
   56    45    52    58.35000  112.70000
   58    56    57    80.00000  110.42200
   59    56    57    80.00000  110.42200
   59    56    58    80.00000  110.42200
   42    33    37    85.00000  110.90400
   42    33    39    50.00000  109.50000
   42    47    48    35.00000  109.50000
   42    47    49    35.00000  109.50000
   42    47    50    35.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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  -0.62250  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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   0.57400  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   0.00000  1.0 1.0
   29    33    37    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    45   0.44750  1.0 1.0
   29    33    39    45  -0.17800 -1.0 2.0
   29    33    39    45   0.20200  1.0 3.0
   29    33    42    47   0.14700  1.0 1.0
   29    33    42    47  -1.16150 -1.0 2.0
   29    33    42    47   0.48700  1.0 3.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37    43    51   7.00000 -1.0 2.0
   33    39    45    46   0.15000  1.0 3.0
   33    39    45    52   0.56750  1.0 1.0
   33    39    45    52  -0.07550 -1.0 2.0
   33    39    45    52   0.20000  1.0 3.0
   33    39    45    56   0.56750  1.0 1.0
   33    39    45    56  -0.07550 -1.0 2.0
   33    39    45    56   0.20000  1.0 3.0
   33    42    47    48   0.37050  1.0 3.0
   33    42    47    49   0.37050  1.0 3.0
   33    42    47    50   0.37050  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    45   0.34400  1.0 1.0
   37    33    39    45   0.09450 -1.0 2.0
   37    33    39    45   0.11100  1.0 3.0
   37    33    42    47  -0.77900  1.0 1.0
   37    33    42    47  -0.36900 -1.0 2.0
   37    33    42    47   0.40400  1.0 3.0
   37    43    51    60  -0.54700  1.0 1.0
   37    43    51    60   1.23000 -1.0 2.0
   37    43    51    64  -0.54700  1.0 1.0
   37    43    51    64   1.23000 -1.0 2.0
   38    37    43    44   7.00000 -1.0 2.0
   38    37    43    51   7.00000 -1.0 2.0
   43    51    60    61   0.00000  1.0 1.0
   43    51    60    62   0.00000  1.0 1.0
   43    51    60    63   0.00000  1.0 1.0
   43    51    64    65   0.00000  1.0 1.0
   43    51    64    66  -0.12500  1.0 1.0
   43    51    64    66  -0.12500 -1.0 2.0
   43    51    64    66   0.25000  1.0 3.0
   43    51    64    67   0.25450  1.0 1.0
   43    51    64    67  -0.61700 -1.0 2.0
   43    51    64    67  -0.23550  1.0 3.0
   44    43    51    60   1.00000 -1.0 2.0
   44    43    51    64   1.00000 -1.0 2.0
   51    64    66    70   0.04300 -1.0 2.0
   51    64    66    80   0.04300 -1.0 2.0
   51    64    67    68   0.22950  1.0 3.0
   51    64    67    69   0.22950  1.0 3.0
   51    64    67    71   0.08550  1.0 1.0
   51    64    67    71   1.07500 -1.0 2.0
   51    64    67    71  -0.10950  1.0 3.0
   60    51    64    65   0.00000  1.0 1.0
   60    51    64    66   0.00000  1.0 1.0
   60    51    64    67   0.00000  1.0 1.0
   64    51    60    61   0.00000  1.0 1.0
   64    51    60    62   0.00000  1.0 1.0
   64    51    60    63   0.00000  1.0 1.0
   64    66    70    72   3.62500 -1.0 2.0
   64    66    80    76   3.62500 -1.0 2.0
   64    67    71    74   0.04150 -1.0 2.0
   64    67    71    85   0.04150 -1.0 2.0
   65    64    66    70   0.00000  1.0 1.0
   65    64    66    80   0.00000  1.0 1.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    71   0.43200  1.0 3.0
   66    64    67    68   0.43200  1.0 3.0
   66    64    67    69   0.43200  1.0 3.0
   66    64    67    71  -0.94300  1.0 1.0
   66    64    67    71   1.32550 -1.0 2.0
   66    64    67    71  -0.07100  1.0 3.0
   66    70    72    73   2.40000 -1.0 2.0
   66    70   -72    76   2.40000 -1.0 2.0
   70    66   -80    76   3.62500 -1.0 2.0
   70    72    76    77   3.62500 -1.0 2.0
   70    72   -76    80   3.62500 -1.0 2.0
   72    76   -80    66   3.62500 -1.0 2.0
   73    72    76    77   3.62500 -1.0 2.0
   73    72    76    80   3.62500 -1.0 2.0
   77    76    80    66   3.62500 -1.0 2.0
   80    66   -70    72   3.62500 -1.0 2.0
   67    64    66    70   0.29300  1.0 1.0
   67    64    66    70  -1.19700 -1.0 2.0
   67    64    66    70   0.60900  1.0 3.0
   67    64    66    80  -1.00500  1.0 1.0
   67    64    66    80  -0.91300 -1.0 2.0
   67    64    66    80   0.11400  1.0 3.0
   67    71    74    75   3.62500 -1.0 2.0
   67    71    74    78   3.62500 -1.0 2.0
   67    71    85    83   3.62500 -1.0 2.0
   67    71    85    86   3.62500 -1.0 2.0
   68    67    71    74   0.00000  1.0 1.0
   68    67    71    85   0.00000  1.0 1.0
   69    67    71    74   0.00000  1.0 1.0
   69    67    71    85   0.00000  1.0 1.0
   71    74    78    79   3.62500 -1.0 2.0
   71    74    78    81   3.62500 -1.0 2.0
   74    71    85    83   3.62500 -1.0 2.0
   74    71    85    86   3.62500 -1.0 2.0
   74    78    81    82   3.62500 -1.0 2.0
   74    78   -81    83   3.62500 -1.0 2.0
   75    74    78    79   3.62500 -1.0 2.0
   75    74    78    81   3.62500 -1.0 2.0
   78    81    83    84   3.62500 -1.0 2.0
   78    81    83    85   3.62500 -1.0 2.0
   79    78    81    82   3.62500 -1.0 2.0
   79    78    81    83   3.62500 -1.0 2.0
   81    83   -85    71   3.62500 -1.0 2.0
   81    83    85    86   3.62500 -1.0 2.0
   82    81    83    84   3.62500 -1.0 2.0
   82    81    83    85   3.62500 -1.0 2.0
   84    83    85    71   3.62500 -1.0 2.0
   84    83    85    86   3.62500 -1.0 2.0
   85    71    74    75   3.62500 -1.0 2.0
   85    71   -74    78   3.62500 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    43   0.09850  1.0 1.0
   39    33    37    43   0.15250 -1.0 2.0
   39    33    37    43  -0.50650  1.0 3.0
   39    33    42    47   0.06250  1.0 1.0
   39    33    42    47  -0.01100 -1.0 2.0
   39    33    42    47   0.28050  1.0 3.0
   39    45    52    53   0.15000  1.0 3.0
   39    45    52    54   0.15000  1.0 3.0
   39    45    52    55   0.15000  1.0 3.0
   39    45    56    57   0.35600  1.0 1.0
   39    45    56    57  -0.14650 -1.0 2.0
   39    45    56    57   0.33350  1.0 3.0
   39    45    56    58   0.35600  1.0 1.0
   39    45    56    58  -0.14650 -1.0 2.0
   39    45    56    58   0.33350  1.0 3.0
   39    45    56    59   0.35600  1.0 1.0
   39    45    56    59  -0.14650 -1.0 2.0
   39    45    56    59   0.33350  1.0 3.0
   40    39    45    46   0.15000  1.0 3.0
   40    39    45    52   0.15000  1.0 3.0
   40    39    45    56   0.15000  1.0 3.0
   41    39    45    46   0.15000  1.0 3.0
   41    39    45    52   0.15000  1.0 3.0
   41    39    45    56   0.15000  1.0 3.0
   46    45    52    53   0.15000  1.0 3.0
   46    45    52    54   0.15000  1.0 3.0
   46    45    52    55   0.15000  1.0 3.0
   46    45    56    57   0.27000  1.0 3.0
   46    45    56    58   0.27000  1.0 3.0
   46    45    56    59   0.27000  1.0 3.0
   52    45    56    57   0.35600  1.0 1.0
   52    45    56    57  -0.14650 -1.0 2.0
   52    45    56    57   0.33350  1.0 3.0
   52    45    56    58   0.35600  1.0 1.0
   52    45    56    58  -0.14650 -1.0 2.0
   52    45    56    58   0.33350  1.0 3.0
   52    45    56    59   0.35600  1.0 1.0
   52    45    56    59  -0.14650 -1.0 2.0
   52    45    56    59   0.33350  1.0 3.0
   56    45    52    53   0.15000  1.0 3.0
   56    45    52    54   0.15000  1.0 3.0
   56    45    52    55   0.15000  1.0 3.0
   42    33    37    38   0.00000  1.0 1.0
   42    33    37    43   0.39000  1.0 1.0
   42    33    37    43  -0.05800 -1.0 2.0
   42    33    37    43  -0.55150  1.0 3.0
   42    33    39    40   0.23400  1.0 3.0
   42    33    39    41   0.23400  1.0 3.0
   42    33    39    45   0.62750  1.0 1.0
   42    33    39    45  -0.30950 -1.0 2.0
   42    33    39    45   0.27300  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    38    37    43  15.00000 -1.0 2.0
   51    44    43    37  15.00000 -1.0 2.0
   64    43    51    60   1.00000 -1.0 2.0
   70    80    66    64   4.00000 -1.0 2.0
   76    73    72    70   1.10000 -1.0 2.0
   80    77    76    72   1.10000 -1.0 2.0
   74    85    71    67   4.00000 -1.0 2.0
   78    75    74    71   1.10000 -1.0 2.0
   81    79    78    74   1.10000 -1.0 2.0
   83    82    81    78   1.10000 -1.0 2.0
   85    84    83    81   1.10000 -1.0 2.0
   83    86    85    71   1.10000 -1.0 2.0
END
