* LIGAND DATABASE FILE (OPLS2005)
*
001      86    87    150    225     433
    1     0 S   NP   _N1_     1    27.92537    93.46185   -21.67825
    2     1 S   H    _HN1     2     1.02769    30.75624   110.62961
    3     1 S   H    _H1_     3     1.03065    87.45214  -116.82061
    4     1 S   H    _H2_     4     1.02936    92.99582    -8.94382
    5     1 S   CT   _CA1     5     1.50050   141.53364   120.13553
    6     5 S   HC   _HA1     6     1.09588   105.19901    53.59827
    7     5 S   CO3  _C1_     7     1.53777   112.34816   -66.01933
    8     7 S   O2Z  _O11     8     1.26350   115.06075   -38.69084
    9     7 S   O2Z  _O12     9     1.26256   114.95722   140.21728
   10     5 S   CT   _CB1    10     1.53035   107.17256   171.06640
   11    10 S   HC   HB11    11     1.09825   109.19482   -54.54287
   12    10 S   HC   HB12    12     1.09560   110.21076    61.43892
   13    10 S   CT   _CG1    13     1.52926   113.24270  -175.81465
   14    13 S   HC   HG11    14     1.09584   110.57014   -64.10850
   15    13 S   HC   HG12    15     1.09643   109.88390    55.22250
   16    13 S   C    _CD1    16     1.51831   112.28824   175.82163
   17    16 S   O    _OE1    17     1.22766   123.30773     3.13107
   18    16 S   N    _N2_    18     1.38647   111.72737  -177.10538
   19    18 S   H    _HN2    19     1.01558   119.11900     4.18151
   20    18 S   CT1  _CA2    20     1.45663   122.74967   178.30096
   21    20 S   HC   _HA2    21     1.09574   108.82569    23.51403
   22    20 S   C    _C2_    22     1.52963   107.23572   -92.90327
   23    22 S   O    _O2_    23     1.22961   123.10793   -26.04460
   24    20 S   CT   _CB2    32     1.53270   112.63923   146.99333
   25    24 S   HC   HB21    33     1.09661   109.82127    64.01360
   26    24 S   HC   HB22    34     1.09581   110.63012  -178.90926
   27    22 S   N    _N3_    24     1.38505   112.47555   156.68244
   28    27 S   H    _HN3    25     1.01648   120.36226    -2.42382
   29    24 S   S    _SG2    35     1.82770   114.98469   -56.06746
   30    27 S   CT   _CA3    26     1.45349   122.54735   178.57701
   31    30 S   HC   HA31    27     1.09565   107.82544   -55.67273
   32    30 S   HC   HA32    28     1.09560   107.61960    60.69410
   33    29 S   CT   _C25    36     1.81981    99.96935   -59.22048
   34    33 S   HC   _H3_    37     1.09570   109.30635   -53.24281
   35    33 S   HC   _H4_    38     1.09356   109.71007    63.24565
   36    30 S   CO3  _C3_    29     1.52902   114.23785  -177.58232
   37    36 S   O2Z  _O31    30     1.26348   116.03032    -0.35608
   38    36 S   O2Z  _O32    31     1.26426   114.42655   179.62102
   39    33 S   CM   _C18    39     1.51758   110.46747  -174.49156
   40    39 S   CMA  _C19    40     1.36577   123.10268   -90.03922
   41    40 S   OM   _O24    41     1.26950   125.96838  -178.02860
   42    39 S   CT   _C22    83     1.51420   113.46380    92.63464
   43    42 S   HC   _H42    84     1.09506   110.19364   -59.50781
   44    42 S   HC   _H43    85     1.09527   110.01925    59.95826
   45    42 S   HC   _H44    86     1.09388   113.55585  -179.72517
   46    40 S   OS   _O26    42     1.42571   111.79682     5.94722
   47    46 S   CA   _C14    43     1.37737   119.12154  -123.36881
   48    47 S   CA   _C8_    44     1.39342   123.64443    36.81798
   49    48 S   HA   _H33    45     1.08620   121.07203    -3.02446
   50    48 S   CA   _C4_    46     1.39943   120.03721   175.65035
   51    50 S   HA   _H29    47     1.08587   117.22100  -179.57387
   52    50 S   CA   _C12    48     1.40561   121.29502    -0.70221
   53    52 S   CA   _C5_    49     1.40839   117.45280     0.58551
   54    53 S   HA   _H30    50     1.08741   120.49020  -179.09216
   55    52 S   CT   _C26    53     1.54512   122.89226  -177.74675
   56    47 S   CA   _C9_    51     1.39168   116.40536  -148.02460
   57    56 S   HA   _H34    52     1.08684   120.40202     3.31275
   58    55 S   CA   _C13    54     1.54799   110.75558   114.28079
   59    55 S   CT   _C23    75     1.55313   113.52160    -5.26105
   60    59 S   HC   _H45    76     1.09747   111.06650  -179.12107
   61    59 S   HC   _H46    77     1.09675   111.48034   -59.59350
   62    59 S   HC   _H47    78     1.09639   112.53139    61.38148
   63    55 S   CT   _C24    79     1.55355   107.18037  -121.07011
   64    63 S   HC   _H48    80     1.09677   111.65088   173.38491
   65    63 S   HC   _H49    81     1.09597   112.59295   -66.02533
   66    63 S   HC   _H50    82     1.09738   111.00725    54.12850
   67    58 S   CA   _C6_    55     1.40725   122.71578   129.73629
   68    67 S   HA   _H31    56     1.08604   121.35393    -1.87795
   69    67 S   CA   _C10    57     1.39839   121.18372   176.55650
   70    69 S   HA   _H35    58     1.08606   119.91524  -178.24119
   71    69 S   CA   _C15    59     1.39065   119.43345     0.62651
   72    71 S   CA   _C11    60     1.39018   121.12450    -0.28324
   73    72 S   HA   _H36    61     1.08575   120.91366  -178.68746
   74    71 S   OS   _O27    64     1.39869   118.82722  -175.41106
   75    58 S   CA   _C7_    62     1.41318   119.58228   -52.93708
   76    75 S   HA   _H32    63     1.08808   120.40821     1.89847
   77    74 S   CO4  _C20    65     1.38410   114.20574  -103.61340
   78    77 S   O    _O25    66     1.22469   126.26248     2.52298
   79    77 S   CM   _C17    67     1.49267   111.12622  -177.99846
   80    79 S   CM   _C16    68     1.34170   122.21384     0.54894
   81    80 S   HC   _H37    69     1.08606   120.72323   179.95154
   82    80 S   HC   _H38    70     1.08448   123.21217     0.00000
   83    79 S   CT   _C21    71     1.50012   115.86461  -179.52481
   84    83 S   HC   _H39    72     1.09509   110.44802   -60.01455
   85    83 S   HC   _H40    73     1.09526   112.06641  -179.96574
   86    83 S   HC   _H41    74     1.09509   110.44125    60.09898
  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   6   5   4   3
  10   4   3   2   1   1   8   9   3   4   2   1   1   7   9   8
   4   9   3  16   7   3  16   1   1  17   9   3   2   1   5   2
   1   1   8   4   7   3   8   5   3   6   1   1   9   3   7   6
   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    46    42    43    44    45  
   35    39    40    42  
   39    40    42  
   37    38  
   38  
    0  
   40    41    46    47    42    43    44    45  
   41    46    47    48    56    42    43    44    45  
   46    47    42  
   43    44    45    46  
   44    45  
   45  
    0  
   47    48    49    50    53    56    57  
   48    49    50    51    52    53    54    56    57  
   49    50    51    52    53    56    57    55  
   50    51    52    56  
   51    52    53    54    56    55    58    59    63  
   52    53    55  
   53    54    56    57    55    58    67    75    59    60    61    62    63    64    65    66  
   54    56    57    55    58    59    63  
   56    57    55  
   58    67    68    69    72    75    76    59    60    61    62    63    64    65    66    56  
   57  
    0  
   67    68    69    70    71    72    73    75    76    59    60    61    62    63    64    65    66  
   60    61    62    63    64    65    66    67    75  
   61    62    63  
   62    63  
   63  
   64    65    66    67    75  
   65    66  
   66  
    0  
   68    69    70    71    72    75    76    74  
   69    70    71    75  
   70    71    72    73    75    74    77  
   71    72    74  
   72    73    75    76    74    77    78    79  
   73    75    76    74    77  
   75    76    74  
   77    78    79    80    83    75  
   76  
    0  
   78    79    80    81    82    83    84    85    86  
   79    80    83  
   80    81    82    83    84    85    86  
   81    82    83    84    85    86  
   82    83  
   83  
   84    85    86  
   85    86  
   86  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.570000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660   0.230000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   80   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    42   317.000  1.510
   40    41   745.000  1.250
   40    46   440.000  1.360
   46    47   450.000  1.364
   47    48   469.000  1.400
   47    56   469.000  1.400
   48    49   367.000  1.080
   48    50   469.000  1.400
   50    51   367.000  1.080
   50    52   469.000  1.400
   52    53   469.000  1.400
   52    55   317.000  1.510
   53    54   367.000  1.080
   53    56   469.000  1.400
   56    57   367.000  1.080
   55    58   317.000  1.510
   55    59   268.000  1.529
   55    63   268.000  1.529
   58    67   469.000  1.400
   58    75   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   469.000  1.400
   71    74   450.000  1.364
   72    73   367.000  1.080
   72    75   469.000  1.400
   75    76   367.000  1.080
   74    77   214.000  1.327
   77    78   570.000  1.229
   77    79   320.000  1.462
   79    80   549.000  1.340
   79    83   317.000  1.510
   80    81   340.000  1.080
   80    82   340.000  1.080
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    42    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    46    80.00000  120.01400
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   40    46    47    90.00000  114.30300
   46    40    41    65.00000  121.00000
   46    47    48    70.00000  120.00000
   46    47    56    70.00000  120.00000
   47    48    49    35.00000  120.00000
   47    48    50    63.00000  120.00000
   47    56    53    63.00000  120.00000
   47    56    57    35.00000  120.00000
   48    50    51    35.00000  120.00000
   48    50    52    63.00000  120.00000
   50    48    49    35.00000  120.00000
   50    52    53    63.00000  120.00000
   50    52    55    70.00000  120.00000
   52    50    51    35.00000  120.00000
   52    53    54    35.00000  120.00000
   52    53    56    63.00000  120.00000
   52    55    58    70.00000  112.04700
   52    55    59    70.00000  112.17500
   52    55    63    70.00000  112.17500
   53    56    57    35.00000  120.00000
   56    47    48    63.00000  120.00000
   56    53    54    35.00000  120.00000
   55    52    53    70.00000  120.00000
   55    58    67    70.00000  120.00000
   55    58    75    70.00000  120.00000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    62    37.50000  110.70000
   55    63    64    37.50000  110.70000
   55    63    65    37.50000  110.70000
   55    63    66    37.50000  110.70000
   58    67    68    35.00000  120.00000
   58    67    69    63.00000  120.00000
   58    75    72    63.00000  120.00000
   58    75    76    35.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    71    72    63.00000  120.00000
   69    71    74    70.00000  120.00000
   71    69    70    35.00000  120.00000
   71    72    73    35.00000  120.00000
   71    72    75    63.00000  120.00000
   71    74    77    85.00000  115.98000
   72    75    76    35.00000  120.00000
   75    58    67    63.00000  120.00000
   75    72    73    35.00000  120.00000
   74    71    72    70.00000  120.00000
   74    77    78    83.00000  123.40000
   74    77    79    90.00000  111.29400
   77    79    80    65.00000  118.96000
   77    79    83    65.00000  116.34900
   79    77    78    80.00000  123.72100
   79    80    81    35.00000  120.00000
   79    80    82    35.00000  120.00000
   79    83    84    35.00000  109.50000
   79    83    85    35.00000  109.50000
   79    83    86    35.00000  109.50000
   82    80    81    35.00000  117.00000
   83    79    80    70.00000  124.00000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   59    55    58    70.00000  112.17500
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   63    55    58    70.00000  112.17500
   63    55    59    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   42    39    40    70.00000  124.00000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    46   7.00000 -1.0 2.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    44   0.34800  1.0 3.0
   33    39    42    45   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    42   0.34800  1.0 3.0
   39    40    46    47   2.00000 -1.0 2.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    45   0.00000  1.0 1.0
   40    46    47    48   0.00000  1.0 1.0
   40    46    47    56   0.00000  1.0 1.0
   41    40    46    47   2.00000 -1.0 2.0
   46    47    48    49   3.62500 -1.0 2.0
   46    47    48    50   3.62500 -1.0 2.0
   46    47    56    53   3.62500 -1.0 2.0
   46    47    56    57   3.62500 -1.0 2.0
   47    48    50    51   3.62500 -1.0 2.0
   47    48    50    52   3.62500 -1.0 2.0
   48    47    56    53   3.62500 -1.0 2.0
   48    47    56    57   3.62500 -1.0 2.0
   48    50   -52    53   3.62500 -1.0 2.0
   48    50    52    55   3.62500 -1.0 2.0
   49    48    50    51   3.62500 -1.0 2.0
   49    48    50    52   3.62500 -1.0 2.0
   50    52    53    54   3.62500 -1.0 2.0
   50    52    53    56   3.62500 -1.0 2.0
   50    52    55    58   0.04300 -1.0 2.0
   50    52    55    59   0.04150 -1.0 2.0
   50    52    55    63   0.04150 -1.0 2.0
   51    50    52    53   3.62500 -1.0 2.0
   51    50    52    55   3.62500 -1.0 2.0
   52    53   -56    47   3.62500 -1.0 2.0
   52    53    56    57   3.62500 -1.0 2.0
   52    55    58    67   0.04300 -1.0 2.0
   52    55    58    75   0.04300 -1.0 2.0
   52    55    59    60   0.43200  1.0 3.0
   52    55    59    61   0.43200  1.0 3.0
   52    55    59    62   0.43200  1.0 3.0
   52    55    63    64   0.43200  1.0 3.0
   52    55    63    65   0.43200  1.0 3.0
   52    55    63    66   0.43200  1.0 3.0
   53    52    55    58   0.04300 -1.0 2.0
   53    52    55    59   0.04150 -1.0 2.0
   53    52    55    63   0.04150 -1.0 2.0
   54    53    56    47   3.62500 -1.0 2.0
   54    53    56    57   3.62500 -1.0 2.0
   56    47    48    49   3.62500 -1.0 2.0
   56    47   -48    50   3.62500 -1.0 2.0
   55    52    53    54   3.62500 -1.0 2.0
   55    52    53    56   3.62500 -1.0 2.0
   55    58    67    68   3.62500 -1.0 2.0
   55    58    67    69   3.62500 -1.0 2.0
   55    58    75    72   3.62500 -1.0 2.0
   55    58    75    76   3.62500 -1.0 2.0
   58    55    59    60   0.43200  1.0 3.0
   58    55    59    61   0.43200  1.0 3.0
   58    55    59    62   0.43200  1.0 3.0
   58    55    63    64   0.43200  1.0 3.0
   58    55    63    65   0.43200  1.0 3.0
   58    55    63    66   0.43200  1.0 3.0
   58    67    69    70   3.62500 -1.0 2.0
   58    67    69    71   3.62500 -1.0 2.0
   67    58    75    72   3.62500 -1.0 2.0
   67    58    75    76   3.62500 -1.0 2.0
   67    69   -71    72   3.62500 -1.0 2.0
   67    69    71    74   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    71    72    73   3.62500 -1.0 2.0
   69    71    72    75   3.62500 -1.0 2.0
   69    71    74    77   0.01300  1.0 1.0
   69    71    74    77   0.97950 -1.0 2.0
   69    71    74    77  -0.55700  1.0 3.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    74   3.62500 -1.0 2.0
   71    72   -75    58   3.62500 -1.0 2.0
   71    72    75    76   3.62500 -1.0 2.0
   71    74    77    78   3.00000 -1.0 2.0
   71    74    77    79   2.00000 -1.0 2.0
   72    71    74    77   0.01300  1.0 1.0
   72    71    74    77   0.97950 -1.0 2.0
   72    71    74    77  -0.55700  1.0 3.0
   73    72    75    58   3.62500 -1.0 2.0
   73    72    75    76   3.62500 -1.0 2.0
   75    58    67    68   3.62500 -1.0 2.0
   75    58   -67    69   3.62500 -1.0 2.0
   74    71    72    73   3.62500 -1.0 2.0
   74    71    72    75   3.62500 -1.0 2.0
   74    77    79    80  -0.56150  1.0 1.0
   74    77    79    80   2.19150 -1.0 2.0
   74    77    79    83  -0.15000  1.0 1.0
   74    77    79    83   0.89550 -1.0 2.0
   74    77    79    83  -0.06900  1.0 3.0
   77    79    80    81   7.00000 -1.0 2.0
   77    79    80    82   7.00000 -1.0 2.0
   77    79    83    84   0.15000  1.0 3.0
   77    79    83    85   0.15000  1.0 3.0
   77    79    83    86   0.15000  1.0 3.0
   78    77    79    80   1.00000 -1.0 2.0
   78    77    79    83  -0.64400  1.0 1.0
   78    77    79    83   0.26850 -1.0 2.0
   80    79    83    84   0.00000  1.0 1.0
   80    79    83    85   0.00000  1.0 1.0
   80    79    83    86   0.00000  1.0 1.0
   83    79    80    81   7.00000 -1.0 2.0
   83    79    80    82   7.00000 -1.0 2.0
   59    55    58    67   0.04150 -1.0 2.0
   59    55    58    75   0.04150 -1.0 2.0
   59    55    63    64   0.15000  1.0 3.0
   59    55    63    65   0.15000  1.0 3.0
   59    55    63    66   0.15000  1.0 3.0
   63    55    58    67   0.04150 -1.0 2.0
   63    55    58    75   0.04150 -1.0 2.0
   63    55    59    60   0.15000  1.0 3.0
   63    55    59    61   0.15000  1.0 3.0
   63    55    59    62   0.15000  1.0 3.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    46   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
   38    30    36    37  10.50000 -1.0 2.0
   33    42    39    40  15.00000 -1.0 2.0
   41    46    40    39  15.00000 -1.0 2.0
   48    56    47    46   4.00000 -1.0 2.0
   50    49    48    47   1.10000 -1.0 2.0
   52    51    50    48   1.10000 -1.0 2.0
   53    55    52    50   4.00000 -1.0 2.0
   56    54    53    52   1.10000 -1.0 2.0
   53    57    56    47   1.10000 -1.0 2.0
   67    75    58    55   4.00000 -1.0 2.0
   69    68    67    58   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   72    74    71    69   4.00000 -1.0 2.0
   75    73    72    71   1.10000 -1.0 2.0
   72    76    75    58   1.10000 -1.0 2.0
   74    79    77    78  10.50000 -1.0 2.0
   77    83    79    80  15.00000 -1.0 2.0
   81    82    80    79  15.00000 -1.0 2.0
END
