* LIGAND DATABASE FILE (OPLS2005)
*
001      88    93    162    264     474
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02120    40.77616  -145.67340
    3     1 S   H    _H1_     3     1.02055   102.60564   -41.68253
    4     1 S   H    _H2_     4     1.02076    73.07609    64.33302
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C24    36     1.84234    97.26680   161.86733
   34    33 S   HC   _H3_    37     1.12051   106.44926   -46.99504
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CA   _C9_    38     1.51351   110.31575  -160.01724
   39    33 S   CT   _C25    74     1.56191   111.85079    73.82126
   40    39 S   OM   _O26    75     1.33205   106.65272  -152.84629
   41    39 S   HC   _H44    76     1.09830   107.50883   -23.75948
   42    38 S   CA   _C4_    39     1.40785   119.96188    67.03904
   43    42 S   HA   _H39    40     1.08890   119.46106    -1.52226
   44    42 S   CA   _C5_    41     1.40033   121.19319   178.85295
   45    44 S   CA   _C8_    42     1.39422   119.38856    -0.67260
   46    45 S   CA   _C15    43     1.39743   120.09131    -0.07662
   47    45 S   CO4  _C20    79     1.48212   120.31736  -179.78420
   48    47 S   O    _O29    80     1.22490   121.57017  -179.89347
   49    38 S   CA   _C11    44     1.39712   121.45850  -114.95532
   50    46 S   OH   _O37    77     1.36670   121.75614  -178.02226
   51    50 S   HO   _H53    78     0.96925   110.02682    -0.04846
   52    47 S   OS   _O34    81     1.36677   116.47419     0.05935
   53    49 S   OS   _O30    45     1.36685   124.04008    -0.83556
   54    52 S   CM   _C22    82     1.41388   122.36297     0.00000
   55    53 S   CO   _C26    46     1.44799   117.29579    18.86911
   56    44 S   CM   _C16    83     1.45351   120.90877   179.65736
   57    56 S   HC   _H40    84     1.08397   119.31830    -0.23155
   58    54 S   CT   _C27    85     1.49409   113.96347   179.98022
   59    58 S   HC   _H45    86     1.08957   109.81029   -90.01759
   60    58 S   HC   _H46    87     1.09008   109.83338   149.84550
   61    58 S   HC   _H47    88     1.09055   109.78751    30.14512
   62    55 S   CT   _C23    47     1.56384   107.70883    83.95514
   63    62 S   HC   _H42    48     1.07722   113.73511   -34.92565
   64    62 S   CA   _C10    49     1.48520    99.24565    85.54828
   65    62 S   OH   _O38    72     1.41642   113.57460  -162.34853
   66    65 S   HO   _H54    73     0.97396   107.20406  -167.94249
   67    64 S   CA   _C12    50     1.38436   109.08269    19.77612
   68    67 S   CA   _C14    51     1.38086   122.21001   176.30737
   69    55 S   OS   _O33    71     1.47821   108.04073  -163.52274
   70    68 S   CA   _C7_    52     1.40180   117.67468     1.03060
   71    68 S   OH   _O36    69     1.35687   118.85583  -179.32973
   72    71 S   HO   _H52    70     0.97146   110.41378  -179.67979
   73    70 S   CA   _C6_    53     1.40693   120.43534    -0.60263
   74    64 S   CA   _C13    54     1.38389   129.89898  -163.64562
   75    73 S   CO4  _C18    57     1.47456   120.19948  -179.77358
   76    75 S   O    _O27    58     1.22531   121.69926   179.83687
   77    74 S   OH   _O35    55     1.35841   118.73547     3.23368
   78    77 S   HO   _H51    56     0.97087   110.32849  -179.69353
   79    75 S   CM   _C17    59     1.47743   117.77863    -0.11535
   80    79 S   HC   _H41    60     1.08534   116.86930  -179.92598
   81    79 S   CM   _C21    61     1.33668   122.37783     0.04846
   82    70 S   CO4  _C19    62     1.47688   119.10694   179.52936
   83    82 S   O    _O28    63     1.22572   121.13808    -0.15577
   84    81 S   OS   _O39    64     1.37960   122.22179   180.00000
   85    84 S   CT   _C28    65     1.40742   112.58327    90.04514
   86    85 S   HC   _H48    66     1.09265   109.50416   180.00000
   87    85 S   HC   _H49    67     1.09288   109.52081    59.15186
   88    85 S   HC   _H50    68     1.09259   108.99217   -60.43211
  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   9   5   4   3
  14   7   2   1   1  13  12   5   4  10   4  11  11   9   7   2
   6   2   1   7   7   6   9   5   1   3   2   1   1  10   6  12
   4   1   9  10   3  12   3   1  10   6   7   3   1   1   6   3
   7   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    49    55    39    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    44    46    49    53    55    62    69    39    40    41  
   38    42    49    55    39    40    41  
   36    37  
   37  
    0  
   42    43    44    45    46    49    53    55    39    40    41    50    56  
   40    41    42    49    53    55    62    63    64    65    67    69  
   41    53    55    62    69  
   53    55    62    69  
   43    44    45    46    49    53    47    54    56    57  
   44    45    49    56  
   45    46    49    50    47    48    52    54    56    57    58  
   46    49    53    50    51    47    48    52    54    56    57  
   49    53    55    50    51    47    48    52    56  
   48    52    54    56    58    49    50  
   52    54  
   53    55    62    69    50    51  
   51    53  
    0  
   54    56    57    58    59    60    61  
   55    62    63    64    67    69    65  
   56    57    58    59    60    61  
   62    63    64    67    68    74    69    65    66  
   57    58    59    60    61  
   58  
   59    60    61  
   60    61  
   61  
    0  
   63    64    67    68    73    74    77    69    65    66  
   64    67    74    69    65    66  
   67    68    70    73    74    77    78    75    71    69    65    66  
   66    67    69    74  
    0  
   68    70    73    74    77    82    71    72    69  
   70    73    74    75    81    82    83    71    72    69  
   70    71    74  
   73    74    77    75    76    79    81    82    83    84    71    72  
   72    73    82  
    0  
   74    77    78    75    76    79    80    81    82    83  
   77    78    75    76    79    82  
   76    79    80    81    82    84    77  
   79    80    81  
   78  
    0  
   80    81    82    83    84    85  
   81    82    84  
   82    83    84    85    86    87    88  
   83    84    85  
   84  
   85    86    87    88  
   86    87    88  
   87    88  
   88  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   47   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   52   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   53   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   75   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   82   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   84   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   85   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    49   469.000  1.400
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   469.000  1.400
   44    56   320.000  1.460
   45    46   469.000  1.400
   45    47   310.000  1.470
   46    49   469.000  1.400
   46    50   450.000  1.364
   49    53   450.000  1.364
   53    55   320.000  1.380
   55    62   250.000  1.527
   55    69   320.000  1.380
   55    39   250.000  1.527
   62    63   340.000  1.090
   62    64   317.000  1.510
   62    65   320.000  1.410
   64    67   469.000  1.400
   64    74   469.000  1.400
   67    68   469.000  1.400
   67    69   450.000  1.364
   68    70   469.000  1.400
   68    71   450.000  1.364
   70    73   469.000  1.400
   70    82   310.000  1.470
   73    74   469.000  1.400
   73    75   310.000  1.470
   74    77   450.000  1.364
   77    78   553.000  0.945
   75    76   570.000  1.229
   75    79   320.000  1.462
   79    80   340.000  1.080
   79    81   549.000  1.340
   81    82   320.000  1.462
   81    84   440.000  1.360
   82    83   570.000  1.229
   84    85   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   71    72   553.000  0.945
   65    66   553.000  0.945
   39    40   570.000  1.307
   39    41   340.000  1.090
   50    51   553.000  0.945
   47    48   570.000  1.229
   47    52   214.000  1.327
   52    54   440.000  1.360
   54    56   549.000  1.340
   54    58   317.000  1.510
   56    57   340.000  1.080
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    49    70.00000  120.00000
   33    39    55    75.00000  109.43000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    44    63.00000  120.00000
   38    49    46    63.00000  120.00000
   38    49    53    70.00000  120.00000
   42    44    45    63.00000  120.00000
   42    44    56    60.00000  120.93500
   44    42    43    35.00000  120.00000
   44    45    46    63.00000  120.00000
   44    45    47    60.00000  119.52600
   44    56    54    60.00000  123.20500
   44    56    57    40.00000  117.26300
   45    46    49    63.00000  120.00000
   45    46    50    70.00000  120.00000
   45    47    48    75.00000  123.78400
   45    47    52    81.00000  111.40000
   46    49    53    70.00000  120.00000
   46    50    51    35.00000  113.00000
   49    38    42    63.00000  120.00000
   49    53    55   100.00000  112.36700
   53    55    62    90.00000  108.56700
   53    55    69    92.60000  111.55000
   53    55    39    90.00000  108.56700
   55    62    63    45.00000  108.72000
   55    62    64    70.00000  112.17500
   55    62    65    90.00000  111.58700
   55    69    67   100.00000  112.36700
   55    39    40    90.00000  109.38000
   55    39    41    45.00000  108.72000
   62    64    67    70.00000  120.00000
   62    64    74    70.00000  120.00000
   62    65    66    55.00000  108.50000
   64    62    63    35.00000  109.50000
   64    67    68    63.00000  120.00000
   64    67    69    70.00000  120.00000
   64    74    73    63.00000  120.00000
   64    74    77    70.00000  120.00000
   67    68    70    63.00000  120.00000
   67    68    71    70.00000  120.00000
   68    70    73    63.00000  120.00000
   68    70    82    60.00000  119.52600
   68    71    72    35.00000  113.00000
   70    73    74    63.00000  120.00000
   70    73    75    60.00000  119.52600
   70    82    81    65.00000  117.02400
   70    82    83    75.00000  123.78400
   73    74    77    70.00000  120.00000
   73    75    76    75.00000  123.78400
   73    75    79    65.00000  117.02400
   74    64    67    63.00000  120.00000
   74    77    78    35.00000  113.00000
   75    73    74    60.00000  119.52600
   75    79    80    40.00000  117.72500
   75    79    81    65.00000  118.96000
   79    75    76    80.00000  123.72100
   79    81    82    65.00000  118.96000
   79    81    84    80.00000  120.01400
   81    79    80    35.00000  120.00000
   81    82    83    80.00000  123.72100
   81    84    85    90.00000  111.18400
   82    70    73    60.00000  119.52600
   84    81    82    85.00000  116.28000
   84    85    86    35.00000  109.50000
   84    85    87    35.00000  109.50000
   84    85    88    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   71    68    70    70.00000  120.00000
   69    55    62    90.00000  108.56700
   69    67    68    70.00000  120.00000
   65    62    63    35.00000  109.50000
   65    62    64    90.00000  112.51600
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    55    62    65.00000  112.71400
   39    55    69    90.00000  108.56700
   41    39    40    45.00000  125.66300
   50    46    49    70.00000  120.00000
   47    45    46    60.00000  119.52600
   47    52    54    90.00000  114.22900
   52    47    48    83.00000  123.40000
   52    54    56    80.00000  120.01400
   52    54    58    85.00000  112.85300
   54    56    57    35.00000  120.00000
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    61    35.00000  109.50000
   56    44    45    60.00000  120.93500
   58    54    56    70.00000  124.00000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    49  -0.16000  1.0 1.0
   29    33    38    49  -0.03200 -1.0 2.0
   29    33    38    49   0.04500  1.0 3.0
   29    33    39    55   0.44750  1.0 1.0
   29    33    39    55  -0.17800 -1.0 2.0
   29    33    39    55   0.20200  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    44   3.62500 -1.0 2.0
   33    38    49    46   3.62500 -1.0 2.0
   33    38    49    53   3.62500 -1.0 2.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    49   0.00000  1.0 1.0
   34    33    39    55   0.15000  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   38    33    39    55  -0.03700  1.0 1.0
   38    33    39    55   0.37200 -1.0 2.0
   38    33    39    55  -0.47300  1.0 3.0
   38    33    39    40  -0.64350  1.0 1.0
   38    33    39    40  -0.04200 -1.0 2.0
   38    33    39    40   0.19800  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    42    44    45   3.62500 -1.0 2.0
   38    42    44    56   3.62500 -1.0 2.0
   38    49   -53    55   1.63200 -1.0 2.0
   42    38    49    46   3.62500 -1.0 2.0
   42    38    49    53   3.62500 -1.0 2.0
   42    44   -45    46   3.62500 -1.0 2.0
   42    44    45    47   3.62500 -1.0 2.0
   42    44    56    54   0.15800  1.0 1.0
   42    44    56    54   1.85350 -1.0 2.0
   42    44    56    54  -0.48700  1.0 3.0
   42    44    56    57   0.56550  1.0 3.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    56   3.62500 -1.0 2.0
   44    45    46    49   3.62500 -1.0 2.0
   44    45    46    50   3.62500 -1.0 2.0
   44    45    47    48   1.05000 -1.0 2.0
   44    45    47    52   0.98750 -1.0 2.0
   45    44    56    54   0.15800  1.0 1.0
   45    44    56    54   1.85350 -1.0 2.0
   45    44    56    54  -0.48700  1.0 3.0
   45    44    56    57   0.56550  1.0 3.0
   45    46   -49    38   3.62500 -1.0 2.0
   45    46    49    53   3.62500 -1.0 2.0
   45    46    50    51   0.84100 -1.0 2.0
   45    47   -52    54   2.00000 -1.0 2.0
   46    45    47    48   1.05000 -1.0 2.0
   46    45    47    52   0.98750 -1.0 2.0
   46    49    53    55   1.63200 -1.0 2.0
   49    38    42    43   3.62500 -1.0 2.0
   49    38   -42    44   3.62500 -1.0 2.0
   49    46    50    51   0.84100 -1.0 2.0
   49    53    55    62  -0.32850  1.0 1.0
   49    53    55    62  -0.35800 -1.0 2.0
   49    53    55    62   0.33950  1.0 3.0
   49    53    55    69  -0.25600  1.0 1.0
   49    53    55    69  -0.40050 -1.0 2.0
   49    53    55    69   0.34700  1.0 3.0
   49    53    55    39  -0.32850  1.0 1.0
   49    53    55    39  -0.35800 -1.0 2.0
   49    53    55    39   0.33950  1.0 3.0
   53    55    62    63   0.23400  1.0 3.0
   53    55    62    64  -0.64350  1.0 1.0
   53    55    62    64  -0.04200 -1.0 2.0
   53    55    62    64   0.19800  1.0 3.0
   53    55    62    65   3.69350  1.0 1.0
   53    55    62    65  -1.82950 -1.0 2.0
   53    55    69    67  -0.25600  1.0 1.0
   53    55    69    67  -0.40050 -1.0 2.0
   53    55    69    67   0.34700  1.0 3.0
   53    55   -39    33   0.62750  1.0 1.0
   53    55   -39    33  -0.30950 -1.0 2.0
   53    55   -39    33   0.27300  1.0 3.0
   53    55    39    40   1.11900  1.0 1.0
   53    55    39    40  -1.16350 -1.0 2.0
   53    55    39    40  -0.34150  1.0 3.0
   53    55    39    41   0.23400  1.0 3.0
   55    62   -64    67   0.04150 -1.0 2.0
   55    62    64    74   0.04150 -1.0 2.0
   55    62    65    66  -0.11600  1.0 1.0
   55    62    65    66  -0.09450 -1.0 2.0
   55    62    65    66   0.21250  1.0 3.0
   62    55   -69    67  -0.32850  1.0 1.0
   62    55   -69    67  -0.35800 -1.0 2.0
   62    55   -69    67   0.33950  1.0 3.0
   62    55    39    33   0.56750  1.0 1.0
   62    55    39    33  -0.07550 -1.0 2.0
   62    55    39    33   0.20000  1.0 3.0
   62    55    39    40   0.62750  1.0 1.0
   62    55    39    40  -0.30950 -1.0 2.0
   62    55    39    40   0.27300  1.0 3.0
   62    55    39    41   0.15000  1.0 3.0
   62    64    67    68   3.62500 -1.0 2.0
   62    64   -67    69   3.62500 -1.0 2.0
   62    64    74    73   3.62500 -1.0 2.0
   62    64    74    77   3.62500 -1.0 2.0
   63    62    64    67   0.00000  1.0 1.0
   63    62    64    74   0.00000  1.0 1.0
   63    62    65    66   0.19450  1.0 3.0
   64    62    65    66   0.31900  1.0 1.0
   64    62    65    66  -0.11800 -1.0 2.0
   64    62    65    66   0.38750  1.0 3.0
   64    67    68    70   3.62500 -1.0 2.0
   64    67    68    71   3.62500 -1.0 2.0
   64    67   -69    55   1.63200 -1.0 2.0
   64    74    77    78   0.84100 -1.0 2.0
   67    64    74    73   3.62500 -1.0 2.0
   67    64    74    77   3.62500 -1.0 2.0
   67    68   -70    73   3.62500 -1.0 2.0
   67    68    70    82   3.62500 -1.0 2.0
   67    68    71    72   0.84100 -1.0 2.0
   68    67    69    55   1.63200 -1.0 2.0
   68    70    73    74   3.62500 -1.0 2.0
   68    70    73    75   3.62500 -1.0 2.0
   68    70    82    81  -0.11500  1.0 1.0
   68    70    82    81   1.10450 -1.0 2.0
   68    70    82    81  -0.48050  1.0 3.0
   68    70    82    83   1.05000 -1.0 2.0
   70    68    71    72   0.84100 -1.0 2.0
   70    73   -74    64   3.62500 -1.0 2.0
   70    73    74    77   3.62500 -1.0 2.0
   70    73    75    76   1.05000 -1.0 2.0
   70    73    75    79  -0.11500  1.0 1.0
   70    73    75    79   1.10450 -1.0 2.0
   70    73    75    79  -0.48050  1.0 3.0
   73    70    82    81  -0.11500  1.0 1.0
   73    70    82    81   1.10450 -1.0 2.0
   73    70    82    81  -0.48050  1.0 3.0
   73    70    82    83   1.05000 -1.0 2.0
   73    74    77    78   0.84100 -1.0 2.0
   73    75    79    80   1.64500 -1.0 2.0
   73    75   -79    81  -1.65800  1.0 1.0
   73    75   -79    81   0.77650 -1.0 2.0
   74    64   -67    68   3.62500 -1.0 2.0
   74    64    67    69   3.62500 -1.0 2.0
   74    73    75    76   1.05000 -1.0 2.0
   74    73    75    79  -0.11500  1.0 1.0
   74    73    75    79   1.10450 -1.0 2.0
   74    73    75    79  -0.48050  1.0 3.0
   75    73    74    64   3.62500 -1.0 2.0
   75    73    74    77   3.62500 -1.0 2.0
   75    79    81    82   7.00000 -1.0 2.0
   75    79    81    84   7.00000 -1.0 2.0
   76    75    79    80   0.00000  1.0 1.0
   76    75    79    81   1.00000 -1.0 2.0
   79    81   -82    70  -1.65800  1.0 1.0
   79    81   -82    70   0.77650 -1.0 2.0
   79    81    82    83   1.00000 -1.0 2.0
   79    81    84    85  -2.26850  1.0 1.0
   79    81    84    85   3.39050 -1.0 2.0
   80    79    81    82   7.00000 -1.0 2.0
   80    79    81    84   7.00000 -1.0 2.0
   81    84    85    86   0.08050  1.0 3.0
   81    84    85    87   0.08050  1.0 3.0
   81    84    85    88   0.08050  1.0 3.0
   82    70    73    74   3.62500 -1.0 2.0
   82    70   -73    75   3.62500 -1.0 2.0
   82    81    84    85   0.15100 -1.0 2.0
   84    81    82    70   1.50000 -1.0 2.0
   84    81    82    83  -0.11900  1.0 1.0
   84    81    82    83   0.76850 -1.0 2.0
   84    81    82    83   0.14100  1.0 3.0
   71    68    70    73   3.62500 -1.0 2.0
   71    68    70    82   3.62500 -1.0 2.0
   69    55    62    63   0.23400  1.0 3.0
   69    55   -62    64  -0.64350  1.0 1.0
   69    55   -62    64  -0.04200 -1.0 2.0
   69    55   -62    64   0.19800  1.0 3.0
   69    55    62    65   3.69350  1.0 1.0
   69    55    62    65  -1.82950 -1.0 2.0
   69    55    39    33   0.62750  1.0 1.0
   69    55    39    33  -0.30950 -1.0 2.0
   69    55    39    33   0.27300  1.0 3.0
   69    55    39    40   1.11900  1.0 1.0
   69    55    39    40  -1.16350 -1.0 2.0
   69    55    39    40  -0.34150  1.0 3.0
   69    55    39    41   0.23400  1.0 3.0
   69    67    68    70   3.62500 -1.0 2.0
   69    67    68    71   3.62500 -1.0 2.0
   65    62    64    67   0.14300 -1.0 2.0
   65    62    64    67   0.00300  1.0 3.0
   65    62    64    74   0.14300 -1.0 2.0
   65    62    64    74   0.00300  1.0 3.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33   -38    49   0.04150 -1.0 2.0
   39    55    62    63   0.15000  1.0 3.0
   39    55    62    64  -0.03700  1.0 1.0
   39    55    62    64   0.37200 -1.0 2.0
   39    55    62    64  -0.47300  1.0 3.0
   39    55    62    65   0.86500  1.0 1.0
   39    55    62    65  -0.17500 -1.0 2.0
   39    55    62    65   0.20800  1.0 3.0
   39    55    69    67  -0.32850  1.0 1.0
   39    55    69    67  -0.35800 -1.0 2.0
   39    55    69    67   0.33950  1.0 3.0
   50    46    49    38   3.62500 -1.0 2.0
   50    46    49    53   3.62500 -1.0 2.0
   47    45    46    49   3.62500 -1.0 2.0
   47    45    46    50   3.62500 -1.0 2.0
   47    52    54    56  -1.93650  1.0 1.0
   47    52    54    56   2.17750 -1.0 2.0
   47    52    54    56  -0.40250  1.0 3.0
   47    52    54    58   2.00000 -1.0 2.0
   48    47    52    54   3.00000 -1.0 2.0
   52    54   -56    44   7.00000 -1.0 2.0
   52    54    56    57   7.00000 -1.0 2.0
   52    54    58    59   0.00000  1.0 1.0
   52    54    58    60   0.00000  1.0 1.0
   52    54    58    61   0.00000  1.0 1.0
   56    44    45    46   3.62500 -1.0 2.0
   56    44   -45    47   3.62500 -1.0 2.0
   56    54    58    59   0.00000  1.0 1.0
   56    54    58    60   0.00000  1.0 1.0
   56    54    58    61   0.00000  1.0 1.0
   58    54    56    44   7.00000 -1.0 2.0
   58    54    56    57   7.00000 -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
   37    30    35    36  10.50000 -1.0 2.0
   42    49    38    33   4.00000 -1.0 2.0
   44    43    42    38   1.10000 -1.0 2.0
   45    56    44    42   4.00000 -1.0 2.0
   46    47    45    44   4.00000 -1.0 2.0
   49    50    46    45   4.00000 -1.0 2.0
   46    53    49    38   4.00000 -1.0 2.0
   67    74    64    62   4.00000 -1.0 2.0
   68    69    67    64   4.00000 -1.0 2.0
   70    71    68    67   4.00000 -1.0 2.0
   73    82    70    68   4.00000 -1.0 2.0
   74    75    73    70   4.00000 -1.0 2.0
   73    77    74    64   4.00000 -1.0 2.0
   73    79    75    76  10.50000 -1.0 2.0
   75    80    79    81   1.10000 -1.0 2.0
   82    84    81    79   1.10000 -1.0 2.0
   70    81    82    83  10.50000 -1.0 2.0
   45    52    47    48  10.50000 -1.0 2.0
   52    58    54    56   1.10000 -1.0 2.0
   44    57    56    54   1.10000 -1.0 2.0
END
