* LIGAND DATABASE FILE (OPLS2005)
*
001      80    83    145    243     439
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02087    64.73672  -103.78379
    3     1 S   H    _H1_     3     1.02084   105.58698    -0.13122
    4     1 S   H    _H2_     4     1.02142    47.75216   101.17310
    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   _C22    36     1.83979    97.71679   161.84714
   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   _C15    37     1.51367   109.07699   -59.96997
   38    33 S   CT   _C20    67     1.54777   108.56105    64.79361
   39    38 S   HC   _H37    68     1.10092   109.68943   -37.99557
   40    33 S   OH   _O29    79     1.43341   110.08933  -176.97011
   41    40 S   HO   _H46    80     0.96702   106.17687   178.33411
   42    37 S   CO4  _C16    38     1.49721   120.71979   115.57368
   43    42 S   O    _O23    39     1.23253   120.74692  -160.46549
   44    38 S   OH   _O27    69     1.42805   110.08207    80.35101
   45    44 S   HO   _H44    70     0.96857   106.23842   -58.48634
   46    37 S   CMA  _C17    73     1.34542   123.47004   -69.24464
   47    46 S   OM   _O21    74     1.26395   130.68661  -175.42718
   48    42 S   CT   _C21    40     1.52943   118.69636    20.05556
   49    46 S   CT   _C23    75     1.51828   117.81796     4.60488
   50    49 S   HC   _H38    76     1.09740   112.00342    90.02026
   51    49 S   HC   _H39    77     1.09773   111.31750   -29.38478
   52    49 S   HC   _H40    78     1.09764   111.35068  -150.63429
   53    48 S   CO4  _C14    41     1.53129   112.23548  -117.14058
   54    53 S   O    _O22    42     1.22882   121.84154   -25.94464
   55    48 S   OH   _O28    71     1.42607   105.84105   128.96770
   56    55 S   HO   _H45    72     0.96969   106.63075    58.82153
   57    53 S   CA   _C9_    43     1.48701   118.80851   155.94416
   58    57 S   CA   _C10    44     1.39649   120.44692    -2.70711
   59    57 S   CA   _C13    55     1.40229   119.26499   177.95378
   60    58 S   CA   _C4_    45     1.40333   119.05395   179.37913
   61    60 S   HA   _H31    46     1.08956   119.09187  -178.93064
   62    59 S   OH   _O26    56     1.36795   119.60113    -0.15577
   63    62 S   HO   _H43    57     0.96812   109.92169     0.12972
   64    58 S   CT   _C18    62     1.50285   121.68759     1.97159
   65    64 S   HC   _H34    63     1.09890   107.68622    94.21180
   66    64 S   HC   _H35    64     1.09778   110.12192  -150.30088
   67    60 S   CA   _C7_    47     1.40432   121.34937     1.26640
   68    48 S   CT   _C19    65     1.53404   112.30972    10.53398
   69    68 S   HC   _H36    66     1.09657   108.86984    64.44045
   70    67 S   CA   _C5_    48     1.40539   121.45532   179.54458
   71    70 S   HA   _H32    49     1.08854   120.17079    -0.07402
   72    70 S   CA   _C11    50     1.39500   120.72994  -180.00000
   73    72 S   CA   _C6_    51     1.39190   119.96354    -0.00000
   74    73 S   HA   _H33    52     1.08729   119.78765  -180.00000
   75    72 S   OH   _O24    60     1.36066   119.96914   179.87967
   76    75 S   HO   _H41    61     0.97004   110.27468     0.02798
   77    73 S   CA   _C12    53     1.39521   120.00438    -0.07402
   78    67 S   CA   _C8_    54     1.41249   119.25549    -0.54321
   79    77 S   OH   _O25    58     1.36610   116.11245   179.94065
   80    79 S   HO   _H42    59     0.96930   110.00485     0.03956
  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
  16   2   1   1  17  16   7   5   1  13   5   5   1   6   4  12
   3   2   1   1  12   5   5   1  13  12  10  11   4   4   1   5
   3   2   8   1   1   8   4   7   7   4   2   1   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    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    68    38    39    44    46    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    48    64    68    69    38    39    44    45    46    47    49    40    41  
   35    36  
   36  
    0  
   42    43    48    53    68    38    39    44    55    46    47    49    50    51    52    40    41  
   39    44    45    55    46    40    41    42    48    53    58    64    65    66    68    69  
   44    45    40    48    64    68    69  
   41    42    44    46    68  
    0  
   43    48    53    54    57    64    68    69    55    56    46    47    49  
   48    53    68    55    46  
   45    48    64    68    69  
   68  
   47    49    50    51    52    48  
   49    50    51    52  
   53    54    57    58    59    64    65    66    68    69    55    56  
   50    51    52  
   51    52  
   52  
    0  
   54    57    58    60    78    59    62    64    68    69    55    56  
   57    58    59    68    55  
   56    57    64    68    69  
   68  
   58    60    61    67    77    78    59    62    63    64    65    66    68  
   60    61    67    70    78    59    62    64    65    66    68    69  
   62    63    79    64    60    67    70    73    77    78  
   61    67    70    71    72    77    78    64    65    66    68  
   67    70    78    64  
   63    67    77    78  
   78  
   65    66    68    69    67  
   66    68    69  
   68    69  
   70    71    72    73    77    78    79    75  
   69  
    0  
   71    72    73    74    77    78    75    76  
   72    73    78    75  
   73    74    77    78    79    75    76  
   74    77    78    79    80    75    76  
   77    78    79    75  
   76    77  
    0  
   78    79    80  
   79    80  
   80  
    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   0.432500   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   47   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   48   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   78   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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    38   268.000  1.529
   33    40   320.000  1.410
   37    42   320.000  1.462
   37    46   465.000  1.376
   42    43   570.000  1.229
   42    48   317.000  1.522
   48    53   317.000  1.522
   48    68   268.000  1.529
   48    55   320.000  1.410
   53    54   570.000  1.229
   53    57   310.000  1.470
   57    58   469.000  1.400
   57    59   469.000  1.400
   58    60   469.000  1.400
   58    64   317.000  1.510
   60    61   367.000  1.080
   60    67   469.000  1.400
   67    70   469.000  1.400
   67    78   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   469.000  1.400
   72    75   450.000  1.364
   73    74   367.000  1.080
   73    77   469.000  1.400
   77    78   469.000  1.400
   77    79   450.000  1.364
   78    59   469.000  1.400
   59    62   450.000  1.364
   62    63   553.000  0.945
   79    80   553.000  0.945
   75    76   553.000  0.945
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   268.000  1.529
   68    69   340.000  1.090
   68    38   268.000  1.529
   38    39   340.000  1.090
   38    44   320.000  1.410
   44    45   553.000  0.945
   55    56   553.000  0.945
   46    47   745.000  1.250
   46    49   270.000  1.512
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   40    41   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    37    42    65.00000  116.34900
   33    37    46    70.00000  124.00000
   33    38    68    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    44    50.00000  109.50000
   33    40    41    55.00000  108.50000
   37    42    43    80.00000  123.72100
   37    42    48    65.00000  118.62400
   37    46    47    65.00000  137.10300
   37    46    49    65.00000  122.18000
   42    48    53    75.00000  107.99600
   42    48    68    63.00000  111.10000
   42    48    55    90.00000  109.61100
   48    42    43    80.00000  120.40000
   48    53    54    80.00000  120.40000
   48    53    57    65.00000  115.47100
   48    68    64    58.35000  112.70000
   48    68    69    37.50000  110.70000
   48    68    38    58.35000  112.70000
   48    55    56    55.00000  108.50000
   53    57    58    60.00000  119.52600
   53    57    59    60.00000  119.52600
   57    53    54    75.00000  123.78400
   57    58    60    63.00000  120.00000
   57    58    64    70.00000  120.00000
   57    59    78    63.00000  120.00000
   57    59    62    70.00000  120.00000
   58    60    61    35.00000  120.00000
   58    60    67    63.00000  120.00000
   58    64    65    35.00000  109.50000
   58    64    66    35.00000  109.50000
   58    64    68    70.00000  112.17500
   60    67    70    63.00000  120.00000
   60    67    78    63.00000  120.00000
   67    60    61    35.00000  120.00000
   67    70    71    35.00000  120.00000
   67    70    72    63.00000  120.00000
   67    78    77    63.00000  120.00000
   67    78    59    63.00000  120.00000
   70    72    73    63.00000  120.00000
   70    72    75    70.00000  120.00000
   72    70    71    35.00000  120.00000
   72    73    74    35.00000  120.00000
   72    73    77    63.00000  120.00000
   72    75    76    35.00000  113.00000
   73    77    78    63.00000  120.00000
   73    77    79    70.00000  120.00000
   77    73    74    35.00000  120.00000
   77    78    59    63.00000  120.00000
   77    79    80    35.00000  113.00000
   78    67    70    63.00000  120.00000
   78    59    62    70.00000  120.00000
   59    57    58    63.00000  120.00000
   59    62    63    35.00000  113.00000
   79    77    78    70.00000  120.00000
   75    72    73    70.00000  120.00000
   64    58    60    70.00000  120.00000
   64    68    69    37.50000  110.70000
   64    68    38    58.35000  112.70000
   66    64    65    33.00000  107.80000
   68    48    53    63.00000  111.10000
   68    64    65    37.50000  110.70000
   68    64    66    37.50000  110.70000
   68    38    39    37.50000  110.70000
   68    38    44    50.00000  109.50000
   38    33    37    70.00000  112.02700
   38    68    69    37.50000  110.70000
   38    44    45    55.00000  108.50000
   44    38    39    35.00000  109.50000
   55    48    53    90.00000  109.61100
   55    48    68    50.00000  109.50000
   46    37    42    60.00000  125.92000
   46    49    50    45.00000  110.52000
   46    49    51    45.00000  110.52000
   46    49    52    45.00000  110.52000
   49    46    47    85.00000  112.85300
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   40    33    37    90.00000  110.39200
   40    33    38    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   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    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    37    46   0.42700  1.0 1.0
   29    33    37    46  -0.70350 -1.0 2.0
   29    33    37    46  -0.43150  1.0 3.0
   29    33    38    68   0.44750  1.0 1.0
   29    33    38    68  -0.17800 -1.0 2.0
   29    33    38    68   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    40    41   0.35600  1.0 1.0
   29    33    40    41  -0.10750 -1.0 2.0
   29    33    40    41  -0.54400  1.0 3.0
   33    37    42    43  -0.64400  1.0 1.0
   33    37    42    43   0.26850 -1.0 2.0
   33    37    42    48   0.25700  1.0 1.0
   33    37    42    48   0.66200 -1.0 2.0
   33    37    42    48   0.04450  1.0 3.0
   33    37    46    47   7.00000 -1.0 2.0
   33    37    46    49   7.00000 -1.0 2.0
   33    38    44    45  -0.11600  1.0 1.0
   33    38    44    45  -0.09450 -1.0 2.0
   33    38    44    45   0.21250  1.0 3.0
   37    33    38    68   0.34400  1.0 1.0
   37    33    38    68   0.09450 -1.0 2.0
   37    33    38    68   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    44   1.05650  1.0 1.0
   37    33    38    44   0.15600 -1.0 2.0
   37    33    38    44   0.53150  1.0 3.0
   37    33    40    41  -0.07800  1.0 1.0
   37    33    40    41  -0.21500 -1.0 2.0
   37    33    40    41  -0.03150  1.0 3.0
   37    42    48    53   0.65300  1.0 1.0
   37    42    48    53  -0.03850 -1.0 2.0
   37    42    48    53   0.33900  1.0 3.0
   37    42   -48    68   0.65300  1.0 1.0
   37    42   -48    68  -0.03850 -1.0 2.0
   37    42   -48    68   0.33900  1.0 3.0
   37    42    48    55   0.65300  1.0 1.0
   37    42    48    55  -0.03850 -1.0 2.0
   37    42    48    55   0.33900  1.0 3.0
   37    46    49    50   0.00000  1.0 1.0
   37    46    49    51   0.00000  1.0 1.0
   37    46    49    52   0.00000  1.0 1.0
   42    37    46    47   7.00000 -1.0 2.0
   42    37    46    49   7.00000 -1.0 2.0
   42    48    53    54   0.30150 -1.0 2.0
   42    48    53    57   0.65300  1.0 1.0
   42    48    53    57  -0.03850 -1.0 2.0
   42    48    53    57   0.33900  1.0 3.0
   42    48    68    64  -0.95700  1.0 1.0
   42    48    68    64  -0.18200 -1.0 2.0
   42    48    68    64   0.29450  1.0 3.0
   42    48    68    69  -0.11250  1.0 3.0
   42    48    68    38  -0.95700  1.0 1.0
   42    48    68    38  -0.18200 -1.0 2.0
   42    48    68    38   0.29450  1.0 3.0
   42    48    55    56   0.91850  1.0 1.0
   42    48    55    56   0.57950  1.0 3.0
   43    42    48    53   0.30150 -1.0 2.0
   43    42    48    68   0.30150 -1.0 2.0
   43    42    48    55   0.30150 -1.0 2.0
   48    53    57    58   2.26350  1.0 1.0
   48    53    57    58   0.76750 -1.0 2.0
   48    53    57    58   0.22500  1.0 3.0
   48    53    57    59   2.26350  1.0 1.0
   48    53    57    59   0.76750 -1.0 2.0
   48    53    57    59   0.22500  1.0 3.0
   48    68   -38    33   0.56750  1.0 1.0
   48    68   -38    33  -0.07550 -1.0 2.0
   48    68   -38    33   0.20000  1.0 3.0
   48    68    38    39   0.15000  1.0 3.0
   48    68    38    44   0.86500  1.0 1.0
   48    68    38    44  -0.17500 -1.0 2.0
   48    68    38    44   0.20800  1.0 3.0
   53    48    68    64  -0.95700  1.0 1.0
   53    48    68    64  -0.18200 -1.0 2.0
   53    48    68    64   0.29450  1.0 3.0
   53    48    68    69  -0.11250  1.0 3.0
   53    48    68    38  -0.95700  1.0 1.0
   53    48    68    38  -0.18200 -1.0 2.0
   53    48    68    38   0.29450  1.0 3.0
   53    48    55    56   0.91850  1.0 1.0
   53    48    55    56   0.57950  1.0 3.0
   53    57    58    60   3.62500 -1.0 2.0
   53    57   -58    64   3.62500 -1.0 2.0
   53    57    59    78   3.62500 -1.0 2.0
   53    57    59    62   3.62500 -1.0 2.0
   54    53    57    58   1.05000 -1.0 2.0
   54    53    57    59   1.05000 -1.0 2.0
   57    58    60    61   3.62500 -1.0 2.0
   57    58    60    67   3.62500 -1.0 2.0
   57    58    64    65   0.00000  1.0 1.0
   57    58    64    66   0.00000  1.0 1.0
   57    58    64    68   0.04150 -1.0 2.0
   57    59    62    63   0.84100 -1.0 2.0
   58    57    59    78   3.62500 -1.0 2.0
   58    57    59    62   3.62500 -1.0 2.0
   58    60    67    70   3.62500 -1.0 2.0
   58    60   -67    78   3.62500 -1.0 2.0
   58    64   -68    48  -0.03700  1.0 1.0
   58    64   -68    48   0.37200 -1.0 2.0
   58    64   -68    48  -0.47300  1.0 3.0
   58    64    68    69   0.43200  1.0 3.0
   58    64    68    38  -0.03700  1.0 1.0
   58    64    68    38   0.37200 -1.0 2.0
   58    64    68    38  -0.47300  1.0 3.0
   60    58    64    65   0.00000  1.0 1.0
   60    58    64    66   0.00000  1.0 1.0
   60    58    64    68   0.04150 -1.0 2.0
   60    67    70    71   3.62500 -1.0 2.0
   60    67    70    72   3.62500 -1.0 2.0
   60    67    78    77   3.62500 -1.0 2.0
   60    67    78    59   3.62500 -1.0 2.0
   61    60    67    70   3.62500 -1.0 2.0
   61    60    67    78   3.62500 -1.0 2.0
   67    70    72    73   3.62500 -1.0 2.0
   67    70    72    75   3.62500 -1.0 2.0
   67    78   -59    57   3.62500 -1.0 2.0
   67    78    59    62   3.62500 -1.0 2.0
   70    67    78    77   3.62500 -1.0 2.0
   70    67    78    59   3.62500 -1.0 2.0
   70    72    73    74   3.62500 -1.0 2.0
   70    72   -73    77   3.62500 -1.0 2.0
   70    72    75    76   0.84100 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    75   3.62500 -1.0 2.0
   72    73    77    78   3.62500 -1.0 2.0
   72    73    77    79   3.62500 -1.0 2.0
   73    72    75    76   0.84100 -1.0 2.0
   73    77   -78    67   3.62500 -1.0 2.0
   73    77    78    59   3.62500 -1.0 2.0
   73    77    79    80   0.84100 -1.0 2.0
   74    73    77    78   3.62500 -1.0 2.0
   74    73    77    79   3.62500 -1.0 2.0
   77    78    59    57   3.62500 -1.0 2.0
   77    78    59    62   3.62500 -1.0 2.0
   78    67    70    71   3.62500 -1.0 2.0
   78    67   -70    72   3.62500 -1.0 2.0
   78    77    79    80   0.84100 -1.0 2.0
   78    59    62    63   0.84100 -1.0 2.0
   59    57   -58    60   3.62500 -1.0 2.0
   59    57    58    64   3.62500 -1.0 2.0
   79    77    78    67   3.62500 -1.0 2.0
   79    77    78    59   3.62500 -1.0 2.0
   75    72    73    74   3.62500 -1.0 2.0
   75    72    73    77   3.62500 -1.0 2.0
   64    58    60    61   3.62500 -1.0 2.0
   64    58    60    67   3.62500 -1.0 2.0
   64    68    38    33   0.56750  1.0 1.0
   64    68    38    33  -0.07550 -1.0 2.0
   64    68    38    33   0.20000  1.0 3.0
   64    68    38    39   0.15000  1.0 3.0
   64    68    38    44   0.86500  1.0 1.0
   64    68    38    44  -0.17500 -1.0 2.0
   64    68    38    44   0.20800  1.0 3.0
   65    64    68    48   0.15000  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    38   0.15000  1.0 3.0
   66    64    68    48   0.15000  1.0 3.0
   66    64    68    69   0.15000  1.0 3.0
   66    64    68    38   0.15000  1.0 3.0
   68    48    53    54   0.30150 -1.0 2.0
   68    48   -53    57   0.05850 -1.0 2.0
   68    48   -53    57   0.17250  1.0 3.0
   68    48    55    56  -0.11600  1.0 1.0
   68    48    55    56  -0.09450 -1.0 2.0
   68    48    55    56   0.21250  1.0 3.0
   68    38    44    45  -0.11600  1.0 1.0
   68    38    44    45  -0.09450 -1.0 2.0
   68    38    44    45   0.21250  1.0 3.0
   69    68    38    33   0.15000  1.0 3.0
   69    68    38    39   0.15000  1.0 3.0
   69    68    38    44   0.23400  1.0 3.0
   38    33   -37    42   0.09700  1.0 1.0
   38    33   -37    42   0.15600 -1.0 2.0
   38    33   -37    42  -0.50800  1.0 3.0
   38    33    37    46   0.09850  1.0 1.0
   38    33    37    46   0.15250 -1.0 2.0
   38    33    37    46  -0.50650  1.0 3.0
   38    33    40    41  -0.11600  1.0 1.0
   38    33    40    41  -0.09450 -1.0 2.0
   38    33    40    41   0.21250  1.0 3.0
   39    38    44    45   0.19450  1.0 3.0
   55    48    53    54   0.30150 -1.0 2.0
   55    48    53    57   0.65300  1.0 1.0
   55    48    53    57  -0.03850 -1.0 2.0
   55    48    53    57   0.33900  1.0 3.0
   55    48    68    64   0.86500  1.0 1.0
   55    48    68    64  -0.17500 -1.0 2.0
   55    48    68    64   0.20800  1.0 3.0
   55    48    68    69   0.23400  1.0 3.0
   55    48    68    38   0.86500  1.0 1.0
   55    48    68    38  -0.17500 -1.0 2.0
   55    48    68    38   0.20800  1.0 3.0
   46    37    42    43   1.00000 -1.0 2.0
   46    37    42    48  -0.33500  1.0 1.0
   46    37    42    48   1.06600 -1.0 2.0
   46    37    42    48  -0.14000  1.0 3.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    51   0.00000  1.0 1.0
   47    46    49    52   0.00000  1.0 1.0
   40    33    37    42   0.09700  1.0 1.0
   40    33    37    42   0.15600 -1.0 2.0
   40    33    37    42  -0.50800  1.0 3.0
   40    33    37    46   0.67800  1.0 1.0
   40    33    37    46   0.47050 -1.0 2.0
   40    33    37    46  -0.62500  1.0 3.0
   40    33    38    68   0.86500  1.0 1.0
   40    33    38    68  -0.17500 -1.0 2.0
   40    33    38    68   0.20800  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    44   3.75450  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    42    37    46   1.10000 -1.0 2.0
   37    48    42    43  10.50000 -1.0 2.0
   48    57    53    54  10.50000 -1.0 2.0
   58    59    57    53   4.00000 -1.0 2.0
   60    64    58    57   4.00000 -1.0 2.0
   67    61    60    58   1.10000 -1.0 2.0
   70    78    67    60   4.00000 -1.0 2.0
   72    71    70    67   1.10000 -1.0 2.0
   73    75    72    70   4.00000 -1.0 2.0
   77    74    73    72   1.10000 -1.0 2.0
   78    79    77    73   4.00000 -1.0 2.0
   77    59    78    67   4.00000 -1.0 2.0
   78    62    59    57   4.00000 -1.0 2.0
   49    47    46    37   1.10000 -1.0 2.0
END
