* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    149    232     436
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02107    81.47027   -81.77222
    3     1 S   H    _H1_     3     1.02019    97.72323    26.04113
    4     1 S   H    _H2_     4     1.02139    35.31922   137.70809
    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   _C25    36     1.87230   100.17565   159.99595
   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   CA   _C13    37     1.49651   111.19777   160.00141
   38    33 S   CT   _C24    71     1.56140   105.42315   -75.94507
   39    38 S   HC   _H46    72     1.09850   111.35112    77.77805
   40    38 S   HC   _H47    73     1.09621   110.58712   -42.15412
   41    33 S   OH   _O29    83     1.44324   107.81232    36.23067
   42    41 S   HO   _H50    84     0.97215   108.06524  -177.06929
   43    37 S   CA   _C12    38     1.39353   119.87978   -90.94236
   44    38 S   CO4  _C18    74     1.52859   113.79118  -163.21825
   45    44 S   O    _O25    75     1.23006   122.96371   -33.22348
   46    43 S   CA   _C7_    39     1.39496   120.09290  -179.91153
   47    46 S   HA   _H35    40     1.08792   119.25764  -180.00000
   48    43 S   CT   _C22    61     1.49390   121.02610     0.05595
   49    48 S   HC   _H42    62     1.10075   110.03526   -89.96620
   50    48 S   HC   _H43    63     1.10137   110.04126    27.74692
   51    44 S   CT   _C23    76     1.51488   116.49420   147.61599
   52    51 S   HC   _H44    77     1.09569   108.29725    89.97678
   53    51 S   HC   _H45    78     1.09444   109.17909   -26.22954
   54    46 S   CA   _C9_    41     1.39996   120.01887    -0.01978
   55    48 S   CO4  _C19    64     1.51548   113.42741   148.83223
   56    55 S   O    _O26    65     1.22344   124.98765   -57.66254
   57    51 S   CT   _C20    79     1.51590   110.75607  -148.89213
   58    57 S   HC   _H36    80     1.09355   110.38362    60.09631
   59    57 S   HC   _H37    81     1.09486   110.94460  -179.80021
   60    57 S   HC   _H38    82     1.09428   111.25691   -60.05116
   61    54 S   CA   _C11    42     1.39649   119.89135    -0.02798
   62    55 S   OS   _O30    66     1.36703   109.18315   122.22684
   63    37 S   CA   _C15    43     1.39537   120.01051    89.09273
   64    61 S   CO4  _C17    46     1.47691   120.51831  -180.00000
   65    64 S   O    _O24    47     1.22360   120.64956  -180.00000
   66    62 S   CT   _C21    67     1.43215   115.46822  -179.93439
   67    66 S   HC   _H39    68     1.09229   109.49424   179.97202
   68    66 S   HC   _H40    69     1.09304   109.47783    59.23506
   69    66 S   HC   _H41    70     1.09219   109.00365   -60.39482
   70    63 S   OH   _O28    44     1.36493   117.82867    -0.10835
   71    70 S   HO   _H49    45     0.96922   110.04118   179.93147
   72    64 S   CA   _C10    48     1.47799   119.00945    -0.00000
   73    72 S   CA   _C8_    49     1.39592   120.45356     0.04423
   74    73 S   CA   _C5_    50     1.40117   119.88586   179.98022
   75    74 S   HA   _H33    51     1.08638   121.33985  -179.94065
   76    54 S   CO4  _C16    59     1.47731   119.64631  -179.96574
   77    76 S   O    _O23    60     1.22422   120.47501     0.03426
   78    74 S   CA   _C4_    52     1.39492   119.94615    -0.00000
   79    78 S   HA   _H32    53     1.08644   119.83386  -179.94405
   80    78 S   CA   _C6_    54     1.39275   120.14415    -0.02798
   81    80 S   HA   _H34    55     1.08692   119.49847   179.97202
   82    72 S   CA   _C14    56     1.40028   119.58014  -180.00000
   83    82 S   OH   _O27    57     1.36334   123.08348     0.08393
   84    83 S   HO   _H48    58     0.96961   110.09320    -0.06561
  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
  15   2   1   1  19  12   5   4   4   1  13   8   4  12   4   8
   4   3   6   5   4  10   6   2   3   2   1   1  10   4   6   9
   3   3   2   1   1   1   1  11   9   8   4   3   1   5   3   4
   2   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    43    63    38    39    40    44    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    43    46    61    63    70    48    38    39    40    44    45    51    41    42  
   35    36  
   36  
    0  
   43    46    47    54    61    63    70    71    64    48    49    50    55    38    39    40    44    41    42  
   39    40    44    45    51    52    53    57    41    42    43    63  
   40    44    45    51    41  
   44    45    51    41  
   42    43    44    63  
    0  
   46    47    54    61    63    70    76    48    49    50    55    56    62  
   45    51    52    53    57    58    59    60  
   51    52    53    57  
   47    54    61    63    64    73    76    77    48    49    50    55  
   54    61    76    48  
   49    50    55    56    62    66    54    63  
   50    55    56    62  
   55    56    62  
   52    53    57    58    59    60  
   53    57    58    59    60  
   57    58    59    60  
   61    63    70    64    65    72    73    74    76    77  
   56    62    66    67    68    69  
   62    66  
   58    59    60  
   59    60  
   60  
    0  
   63    70    71    64    65    72    73    82    76    77  
   66    67    68    69  
   70    71    64    65    72    76  
   65    72    73    74    80    82    83    76    70  
   72    73    82  
   67    68    69  
   68    69  
   69  
    0  
   71  
    0  
   73    74    75    78    80    81    82    83    84    76    77  
   74    75    78    79    80    82    83    76    77  
   75    78    79    80    81    82    76    77  
   78    79    80    76  
   77    78    82  
    0  
   79    80    81    82    83  
   80    81    82  
   81    82    83    84  
   82    83  
   83    84  
   84  
    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   0.547500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   83   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   84   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    41   320.000  1.410
   37    43   469.000  1.400
   37    63   469.000  1.400
   43    46   469.000  1.400
   43    48   317.000  1.510
   46    47   367.000  1.080
   46    54   469.000  1.400
   54    61   469.000  1.400
   54    76   310.000  1.470
   61    63   469.000  1.400
   61    64   310.000  1.470
   63    70   450.000  1.364
   70    71   553.000  0.945
   64    65   570.000  1.229
   64    72   310.000  1.470
   72    73   469.000  1.400
   72    82   469.000  1.400
   73    74   469.000  1.400
   73    76   310.000  1.470
   74    75   367.000  1.080
   74    78   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   367.000  1.080
   80    82   469.000  1.400
   82    83   450.000  1.364
   83    84   553.000  0.945
   76    77   570.000  1.229
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    55   317.000  1.522
   55    56   570.000  1.229
   55    62   214.000  1.327
   62    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    44   317.000  1.522
   44    45   570.000  1.229
   44    51   317.000  1.522
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   41    42   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    80.00000  109.48900
   29    33    38    75.00000  111.63000
   29    33    41    85.00000  114.68000
   33    37    43    70.00000  120.00000
   33    37    63    70.00000  120.00000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    44    63.00000  111.10000
   33    41    42    55.00000  108.50000
   37    43    46    63.00000  120.00000
   37    43    48    70.00000  120.00000
   37    63    61    63.00000  120.00000
   37    63    70    70.00000  120.00000
   43    46    47    35.00000  120.00000
   43    46    54    63.00000  120.00000
   43    48    49    35.00000  109.50000
   43    48    50    35.00000  109.50000
   43    48    55    70.00000  110.93000
   46    54    61    63.00000  120.00000
   46    54    76    60.00000  119.52600
   54    46    47    35.00000  120.00000
   54    61    63    63.00000  120.00000
   54    61    64    60.00000  119.52600
   54    76    73    65.00000  116.00000
   54    76    77    75.00000  123.78400
   61    63    70    70.00000  120.00000
   61    64    65    75.00000  123.78400
   61    64    72    65.00000  116.00000
   63    37    43    63.00000  120.00000
   63    70    71    35.00000  113.00000
   64    61    63    60.00000  119.52600
   64    72    73    60.00000  119.52600
   64    72    82    60.00000  119.52600
   72    64    65    75.00000  123.78400
   72    73    74    63.00000  120.00000
   72    73    76    60.00000  119.52600
   72    82    80    63.00000  120.00000
   72    82    83    70.00000  120.00000
   73    74    75    35.00000  120.00000
   73    74    78    63.00000  120.00000
   73    76    77    75.00000  123.78400
   74    78    79    35.00000  120.00000
   74    78    80    63.00000  120.00000
   78    74    75    35.00000  120.00000
   78    80    81    35.00000  120.00000
   78    80    82    63.00000  120.00000
   80    78    79    35.00000  120.00000
   80    82    83    70.00000  120.00000
   82    72    73    63.00000  120.00000
   82    80    81    35.00000  120.00000
   82    83    84    35.00000  113.00000
   76    54    61    60.00000  119.52600
   76    73    74    60.00000  119.52600
   48    43    46    70.00000  120.00000
   48    55    56    80.00000  120.40000
   48    55    62    81.00000  111.40000
   50    48    49    33.00000  107.80000
   55    48    49    35.00000  109.50000
   55    48    50    35.00000  109.50000
   55    62    66    83.00000  116.90000
   62    55    56    83.00000  123.40000
   62    66    67    35.00000  109.50000
   62    66    68    35.00000  109.50000
   62    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   38    33    37    70.00000  112.17500
   38    44    45    80.00000  120.40000
   38    44    51    70.00000  116.00000
   40    38    39    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    40    35.00000  109.50000
   44    51    52    35.00000  109.50000
   44    51    53    35.00000  109.50000
   44    51    57    63.00000  111.10000
   51    44    45    80.00000  120.40000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    37.50000  110.70000
   53    51    52    33.00000  107.80000
   57    51    52    37.50000  110.70000
   57    51    53    37.50000  110.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   41    33    37    90.00000  112.51600
   41    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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  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    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   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    43  -0.16000  1.0 1.0
   29    33    37    43  -0.03200 -1.0 2.0
   29    33    37    43   0.04500  1.0 3.0
   29    33    37    63  -0.16000  1.0 1.0
   29    33    37    63  -0.03200 -1.0 2.0
   29    33    37    63   0.04500  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   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    41    42   0.35600  1.0 1.0
   29    33    41    42  -0.10750 -1.0 2.0
   29    33    41    42  -0.54400  1.0 3.0
   33    37    43    46   3.62500 -1.0 2.0
   33    37    43    48   3.62500 -1.0 2.0
   33    37    63    61   3.62500 -1.0 2.0
   33    37    63    70   3.62500 -1.0 2.0
   33    38    44    45   0.30150 -1.0 2.0
   33    38    44    51   0.60050  1.0 1.0
   33    38    44    51   0.05600 -1.0 2.0
   33    38    44    51   0.26150  1.0 3.0
   37    33    38    39   0.43200  1.0 3.0
   37    33    38    40   0.43200  1.0 3.0
   37    33    38    44   0.56750  1.0 1.0
   37    33    38    44  -0.07550 -1.0 2.0
   37    33    38    44   0.20000  1.0 3.0
   37    33    41    42   0.31900  1.0 1.0
   37    33    41    42  -0.11800 -1.0 2.0
   37    33    41    42   0.38750  1.0 3.0
   37    43    46    47   3.62500 -1.0 2.0
   37    43    46    54   3.62500 -1.0 2.0
   37    43    48    49   0.00000  1.0 1.0
   37    43    48    50   0.00000  1.0 1.0
   37    43    48    55   0.04300 -1.0 2.0
   37    63    70    71   0.84100 -1.0 2.0
   43    37    63    61   3.62500 -1.0 2.0
   43    37    63    70   3.62500 -1.0 2.0
   43    46   -54    61   3.62500 -1.0 2.0
   43    46    54    76   3.62500 -1.0 2.0
   43    48    55    56   0.30150 -1.0 2.0
   43    48    55    62   0.40000  1.0 3.0
   46    43    48    49   0.00000  1.0 1.0
   46    43    48    50   0.00000  1.0 1.0
   46    43    48    55   0.04300 -1.0 2.0
   46    54    61    63   3.62500 -1.0 2.0
   46    54    61    64   3.62500 -1.0 2.0
   46    54    76    73   0.56600 -1.0 2.0
   46    54    76    77   1.05000 -1.0 2.0
   47    46    54    61   3.62500 -1.0 2.0
   47    46    54    76   3.62500 -1.0 2.0
   54    61   -63    37   3.62500 -1.0 2.0
   54    61    63    70   3.62500 -1.0 2.0
   54    61    64    65   1.05000 -1.0 2.0
   54    61    64    72   0.56600 -1.0 2.0
   61    54    76    73   0.56600 -1.0 2.0
   61    54    76    77   1.05000 -1.0 2.0
   61    63    70    71   0.84100 -1.0 2.0
   61    64   -72    73   0.56600 -1.0 2.0
   61    64    72    82   0.56600 -1.0 2.0
   63    37   -43    46   3.62500 -1.0 2.0
   63    37    43    48   3.62500 -1.0 2.0
   63    61    64    65   1.05000 -1.0 2.0
   63    61    64    72   0.56600 -1.0 2.0
   64    61    63    37   3.62500 -1.0 2.0
   64    61    63    70   3.62500 -1.0 2.0
   64    72    73    74   3.62500 -1.0 2.0
   64    72    73    76   3.62500 -1.0 2.0
   64    72    82    80   3.62500 -1.0 2.0
   64    72    82    83   3.62500 -1.0 2.0
   65    64    72    73   1.05000 -1.0 2.0
   65    64    72    82   1.05000 -1.0 2.0
   72    73    74    75   3.62500 -1.0 2.0
   72    73    74    78   3.62500 -1.0 2.0
   72    73   -76    54   0.56600 -1.0 2.0
   72    73    76    77   1.05000 -1.0 2.0
   72    82    83    84   0.84100 -1.0 2.0
   73    72    82    80   3.62500 -1.0 2.0
   73    72    82    83   3.62500 -1.0 2.0
   73    74    78    79   3.62500 -1.0 2.0
   73    74   -78    80   3.62500 -1.0 2.0
   74    73    76    54   0.56600 -1.0 2.0
   74    73    76    77   1.05000 -1.0 2.0
   74    78    80    81   3.62500 -1.0 2.0
   74    78    80    82   3.62500 -1.0 2.0
   75    74    78    79   3.62500 -1.0 2.0
   75    74    78    80   3.62500 -1.0 2.0
   78    80   -82    72   3.62500 -1.0 2.0
   78    80    82    83   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   79    78    80    82   3.62500 -1.0 2.0
   80    82    83    84   0.84100 -1.0 2.0
   81    80    82    72   3.62500 -1.0 2.0
   81    80    82    83   3.62500 -1.0 2.0
   82    72   -73    74   3.62500 -1.0 2.0
   82    72    73    76   3.62500 -1.0 2.0
   76    54    61    63   3.62500 -1.0 2.0
   76    54   -61    64   3.62500 -1.0 2.0
   76    73    74    75   3.62500 -1.0 2.0
   76    73    74    78   3.62500 -1.0 2.0
   48    43    46    47   3.62500 -1.0 2.0
   48    43    46    54   3.62500 -1.0 2.0
   48    55    62    66   1.63150  1.0 1.0
   48    55    62    66   2.92000 -1.0 2.0
   49    48    55    56   0.00000  1.0 1.0
   49    48    55    62   0.00000  1.0 1.0
   50    48    55    56   0.00000  1.0 1.0
   50    48    55    62   0.00000  1.0 1.0
   55    62    66    67   0.08050  1.0 3.0
   55    62    66    68   0.08050  1.0 3.0
   55    62    66    69   0.08050  1.0 3.0
   56    55    62    66   3.00000 -1.0 2.0
   38    33    37    43   0.04150 -1.0 2.0
   38    33    37    63   0.04150 -1.0 2.0
   38    33    41    42  -0.11600  1.0 1.0
   38    33    41    42  -0.09450 -1.0 2.0
   38    33    41    42   0.21250  1.0 3.0
   38    44    51    52   0.00000  1.0 1.0
   38    44    51    53   0.00000  1.0 1.0
   38    44    51    57   0.60050  1.0 1.0
   38    44    51    57   0.05600 -1.0 2.0
   38    44    51    57   0.26150  1.0 3.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    51   0.00000  1.0 1.0
   40    38    44    45   0.00000  1.0 1.0
   40    38    44    51   0.00000  1.0 1.0
   44    51    57    58  -0.11250  1.0 3.0
   44    51    57    59  -0.11250  1.0 3.0
   44    51    57    60  -0.11250  1.0 3.0
   45    44    51    52   0.00000  1.0 1.0
   45    44    51    53   0.00000  1.0 1.0
   45    44    51    57   0.30150 -1.0 2.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    60   0.15000  1.0 3.0
   53    51    57    58   0.15000  1.0 3.0
   53    51    57    59   0.15000  1.0 3.0
   53    51    57    60   0.15000  1.0 3.0
   41    33    37    43   0.14300 -1.0 2.0
   41    33    37    43   0.00300  1.0 3.0
   41    33    37    63   0.14300 -1.0 2.0
   41    33    37    63   0.00300  1.0 3.0
   41    33    38    39   0.23400  1.0 3.0
   41    33    38    40   0.23400  1.0 3.0
   41    33    38    44  -0.09450  1.0 1.0
   41    33    38    44  -1.12950 -1.0 2.0
   41    33    38    44   0.54000  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
   43    63    37    33   4.00000 -1.0 2.0
   46    48    43    37   4.00000 -1.0 2.0
   54    47    46    43   1.10000 -1.0 2.0
   61    76    54    46   4.00000 -1.0 2.0
   63    64    61    54   4.00000 -1.0 2.0
   61    70    63    37   4.00000 -1.0 2.0
   61    72    64    65  10.50000 -1.0 2.0
   73    82    72    64   4.00000 -1.0 2.0
   74    76    73    72   4.00000 -1.0 2.0
   78    75    74    73   1.10000 -1.0 2.0
   80    79    78    74   1.10000 -1.0 2.0
   82    81    80    78   1.10000 -1.0 2.0
   80    83    82    72   4.00000 -1.0 2.0
   54    73    76    77  10.50000 -1.0 2.0
   48    62    55    56  10.50000 -1.0 2.0
   38    51    44    45  10.50000 -1.0 2.0
END
