* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    158    247     456
    1     0 S   NP   _N1_     1    28.81648    97.24820   -22.36493
    2     1 S   H    _HN1     2     1.02786    99.14098   -90.38066
    3     1 S   H    _H1_     3     1.02950    69.89006    15.93682
    4     1 S   H    _H2_     4     1.02831    43.42008   163.21167
    5     1 S   CT   _CA1     5     1.50100   145.81975   112.94280
    6     5 S   HC   _HA1     6     1.09570   105.20798    93.62211
    7     5 S   CO3  _C1_     7     1.53760   112.53948   -26.63886
    8     7 S   O2Z  _O11     8     1.26371   115.02235   -41.04732
    9     7 S   O2Z  _O12     9     1.26244   114.98844   138.33757
   10     5 S   CT   _CB1    10     1.53096   107.44058  -148.33703
   11    10 S   HC   HB11    11     1.09827   109.37432   -49.56530
   12    10 S   HC   HB12    12     1.09814   110.44729    67.07027
   13    10 S   CT   _CG1    13     1.52956   112.58566  -170.56274
   14    13 S   HC   HG11    14     1.09524   110.59156   -65.39461
   15    13 S   HC   HG12    15     1.09671   109.82163    53.78307
   16    13 S   C    _CD1    16     1.51774   112.36965   174.19802
   17    16 S   O    _OE1    17     1.22709   123.34736     4.19003
   18    16 S   N    _N2_    18     1.38623   111.53879  -175.69775
   19    18 S   H    _HN2    19     1.01582   118.87749     1.38931
   20    18 S   CT1  _CA2    20     1.46221   123.50276   177.17853
   21    20 S   HC   _HA2    21     1.09730   109.46050     0.41731
   22    20 S   C    _C2_    22     1.53518   108.38704  -115.04899
   23    22 S   O    _O2_    23     1.23045   122.33793  -147.27388
   24    20 S   CT   _CB2    32     1.53214   111.35990   122.62211
   25    24 S   HC   HB21    33     1.09608   109.99609    54.07698
   26    24 S   HC   HB22    34     1.09508   110.65093   173.31170
   27    22 S   N    _N3_    24     1.38349   113.62049    40.14238
   28    27 S   H    _HN3    25     1.01596   119.56032    -3.31671
   29    24 S   S    _SG2    35     1.82570   111.57313   -66.95139
   30    27 S   CT   _CA3    26     1.45285   123.20720   177.14104
   31    30 S   HC   HA31    27     1.09549   107.50611   -64.64546
   32    30 S   HC   HA32    28     1.09556   107.98890    51.79244
   33    29 S   CT   _C22    36     1.82441    98.55142   170.11012
   34    33 S   HC   _H3_    37     1.09363   107.39220   -59.69949
   35    33 S   HC   _H4_    38     1.09561   108.53152    56.76521
   36    30 S   CO3  _C3_    29     1.52957   114.08030   173.78751
   37    36 S   O2Z  _O31    30     1.26374   116.06269    -0.83157
   38    36 S   O2Z  _O32    31     1.26427   114.41593   179.23179
   39    33 S   CT   _C14    39     1.53128   110.85563   178.85979
   40    39 S   HC   _H36    40     1.09600   113.03658    32.73453
   41    39 S   CO4  _C7_    41     1.50963   111.63278   -87.83770
   42    41 S   O    _O21    42     1.22114   126.22323    42.03429
   43    41 S   OS   _O24    43     1.36229   109.91766  -139.25515
   44    43 S   CT   _C16    44     1.43738   110.50450    -1.78004
   45    44 S   HC   _H38    45     1.09514   106.88122   -95.91014
   46    39 S   CT   _C15    46     1.53795   112.07844   158.21689
   47    46 S   HC   _H37    47     1.09969   107.51880    36.26097
   48    44 S   C3T  _C17    62     1.49450   107.72224   143.18101
   49    48 S   HC   _H39    63     1.08265   112.45970   -73.38901
   50    46 S   CT   _C18    48     1.56136   115.35816   -85.32348
   51    50 S   HC   _H40    49     1.09659   109.60841   -98.13608
   52    76 S   O3T  _O25    64     1.43692   115.58802  -142.74587
   53    50 S   CT   _C11    50     1.55066   113.82720   139.82870
   54    53 S   HC   _H31    51     1.09752   109.65402   -45.75755
   55    53 S   HC   _H32    52     1.09819   109.58244  -160.35609
   56    50 S   OS   _O26    72     1.45156   110.63625    22.54970
   57    53 S   CM   _C5_    53     1.48105   112.85315    78.36124
   58    56 S   CO4  _C10    73     1.36051   118.17742  -105.05491
   59    58 S   O    _O22    74     1.22236   126.02154     2.90144
   60    57 S   CM   _C4_    54     1.33047   129.59896  -101.93817
   61    60 S   HC   _H28    55     1.08100   124.72674    -3.18100
   62    58 S   CM   _C9_    75     1.48902   109.54670  -177.51896
   63    60 S   CT   _C13    56     1.48060   110.38922   165.47055
   64    63 S   HC   _H35    57     1.09460   111.29637   129.35222
   65    62 S   CM   _C8_    76     1.34124   117.24781  -170.98489
   66    65 S   HC   _H29    77     1.08524   120.95405  -179.21541
   67    65 S   HC   _H30    78     1.08525   122.58671     0.70109
   68    62 S   CT   _C20    79     1.49737   120.27606    10.06138
   69    68 S   HC   _H41    80     1.09414   110.80276   -64.23127
   70    68 S   HC   _H42    81     1.09498   110.52054    56.28417
   71    68 S   HC   _H43    82     1.09542   111.87209   175.90988
   72    63 S   CT   _C12    58     1.54429   112.68655  -105.42179
   73    72 S   HC   _H33    59     1.09663   109.25625   173.15146
   74    72 S   HC   _H34    60     1.09774   108.87847   -70.52536
   75    63 S   OS   _O23    69     1.43354   103.55505    13.21848
   76    72 S   C3T  _C19    61     1.52092   113.34509    51.75318
   77    57 S   CO4  _C6_    70     1.46943   123.80691    74.62969
   78    77 S   O    _O20    71     1.21842   125.63723     7.64088
   79    76 S   CT   _C21    65     1.50253   117.59445    82.47213
   80    79 S   HC   _H44    66     1.09581   111.64898   146.20128
   81    79 S   HC   _H45    67     1.09466   111.15851    26.70914
   82    79 S   HC   _H46    68     1.09252   111.12998   -93.85730
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  13   7  13   5  12
   4  11   6   9  11   5   4   6   8   9   3  10   5   7   9   6
   6   2   1   3   2   1   1   9   4   3   3   4   1   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    41    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    46    47    50  
   35    39    40    41    46  
   39    40    41    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    50    51    53    48    56  
   41    42    43    44    46    47    50  
   42    43    44    45    46    47    50    48  
   43    44    46  
   44    45    46    47    50    76    48    49    52  
   45    46    47    50    51    53    72    76    48    49    52    79    56  
   46    47    50    76    48    49    52  
   47    50    51    53    54    55    57    76    48    49    52    56    58  
   50    51    53    48    56  
   49    52    79    80    81    82    50    63    72    73    74    76  
   52    79    72    76  
   51    53    54    55    57    60    77    56    58    59    62  
   53    54    55    57    56    58  
   79    80    81    82    63    72    73    74    76  
   54    55    57    60    61    63    75    77    78    56    58  
   55    57    60    77    56  
   57    60    77    56  
   58    59    62    65    68    57  
   60    61    63    64    72    75    77    78  
   59    62    65    66    67    68    69    70    71  
   62    65    68  
   61    63    64    72    73    74    76    75    77    78  
   63    64    72    75    77  
   65    66    67    68    69    70    71  
   64    72    73    74    76    79    75    77    78  
   72    73    74    76    75    77  
   66    67    68    69    70    71  
   67    68  
   68  
   69    70    71  
   70    71  
   71  
    0  
   73    74    76    79    80    81    82    75    77  
   74    76    79    75  
   76    79    75  
   77    78    76  
   79    80    81    82  
   78  
    0  
   80    81    82  
   81    82  
   82  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   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   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    46   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   275.000  1.510
   46    47   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    53   268.000  1.529
   50    56   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    57   317.000  1.510
   57    60   549.000  1.340
   57    77   320.000  1.462
   60    61   340.000  1.080
   60    63   317.000  1.510
   63    64   340.000  1.090
   63    72   268.000  1.529
   63    75   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    76   275.000  1.510
   76    48   260.000  1.509
   76    52   335.000  1.432
   76    79   275.000  1.510
   48    49   340.000  1.088
   48    52   335.000  1.432
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   75    77   214.000  1.327
   77    78   570.000  1.229
   56    58   214.000  1.327
   58    59   570.000  1.229
   58    62   320.000  1.462
   62    65   549.000  1.340
   62    68   317.000  1.510
   65    66   340.000  1.080
   65    67   340.000  1.080
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   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  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    46    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    46    44    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    50    58.35000  112.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    48    76    60.00000  120.94000
   44    48    49    40.00000  115.04500
   44    48    52    80.00000  116.47100
   46    39    40    37.50000  110.70000
   46    39    41    63.00000  111.10000
   46    44    45    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    53    58.35000  112.70000
   46    50    56    50.00000  109.50000
   50    46    47    37.50000  110.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    57    70.00000  112.02700
   50    56    58    83.00000  116.90000
   53    50    51    37.50000  110.70000
   53    57    60    70.00000  124.00000
   53    57    77    65.00000  116.34900
   55    53    54    33.00000  107.80000
   57    53    54    35.00000  109.50000
   57    53    55    35.00000  109.50000
   57    60    61    35.00000  120.00000
   57    60    63    70.00000  124.00000
   57    77    75    90.00000  111.29400
   57    77    78    80.00000  123.72100
   60    63    64    35.00000  109.50000
   60    63    72    70.00000  112.02700
   60    63    75    85.00000  110.90400
   63    60    61    35.00000  117.00000
   63    72    73    37.50000  110.70000
   63    72    74    37.50000  110.70000
   63    72    76    70.00000  112.37300
   63    75    77    83.00000  116.90000
   72    63    64    37.50000  110.70000
   72    76    48    60.00000  120.94000
   72    76    52    80.00000  116.47100
   72    76    79    58.35000  112.70000
   74    72    73    33.00000  107.80000
   76    72    73    45.00000  109.38400
   76    72    74    45.00000  109.38400
   76    48    49    37.50000  117.20000
   76    48    52    15.00000   60.43100
   76    52    48    15.00000   59.14900
   76    79    80    45.00000  109.38400
   76    79    81    45.00000  109.38400
   76    79    82    45.00000  109.38400
   48    44    45    45.00000  109.38400
   48    44    46    70.00000  112.37300
   52    76    48    15.00000   60.43100
   52    48    49    50.00000  114.27700
   79    76    48    60.00000  120.94000
   79    76    52    80.00000  116.47100
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   75    63    64    35.00000  109.50000
   75    63    72    50.00000  109.50000
   75    77    78    83.00000  123.40000
   77    57    60    65.00000  118.96000
   56    50    51    35.00000  109.50000
   56    50    53    50.00000  109.50000
   56    58    59    83.00000  123.40000
   56    58    62    90.00000  111.29400
   58    62    65    65.00000  118.96000
   58    62    68    65.00000  116.34900
   62    58    59    80.00000  123.72100
   62    65    66    35.00000  120.00000
   62    65    67    35.00000  120.00000
   62    68    69    35.00000  109.50000
   62    68    70    35.00000  109.50000
   62    68    71    35.00000  109.50000
   67    65    66    35.00000  117.00000
   68    62    65    70.00000  124.00000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    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   0.01700  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    46    44   0.56750  1.0 1.0
   33    39    46    44  -0.07550 -1.0 2.0
   33    39    46    44   0.20000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    50   0.56750  1.0 1.0
   33    39    46    50  -0.07550 -1.0 2.0
   33    39    46    50   0.20000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    46   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    46   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   39    46    50    51   0.15000  1.0 3.0
   39    46    50    53   0.56750  1.0 1.0
   39    46    50    53  -0.07550 -1.0 2.0
   39    46    50    53   0.20000  1.0 3.0
   39    46    50    56   0.62750  1.0 1.0
   39    46    50    56  -0.30950 -1.0 2.0
   39    46    50    56   0.27300  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    46    44   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    50   0.15000  1.0 3.0
   41    39   -46    44  -0.95700  1.0 1.0
   41    39   -46    44  -0.18200 -1.0 2.0
   41    39   -46    44   0.29450  1.0 3.0
   41    39    46    47  -0.11250  1.0 3.0
   41    39    46    50  -0.95700  1.0 1.0
   41    39    46    50  -0.18200 -1.0 2.0
   41    39    46    50   0.29450  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43   -44    46  -0.25900  1.0 1.0
   41    43   -44    46  -0.47000 -1.0 2.0
   41    43   -44    46   0.11750  1.0 3.0
   41    43    44    48  -0.25900  1.0 1.0
   41    43    44    48  -0.47000 -1.0 2.0
   41    43    44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44   -46    39   0.62750  1.0 1.0
   43    44   -46    39  -0.30950 -1.0 2.0
   43    44   -46    39   0.27300  1.0 3.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    50   0.62750  1.0 1.0
   43    44    46    50  -0.30950 -1.0 2.0
   43    44    46    50   0.27300  1.0 3.0
   43    44    48    76  -0.26800  1.0 1.0
   43    44    48    76   0.69150 -1.0 2.0
   43    44    48    76  -0.48750  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   43    44    48    52   1.11900  1.0 1.0
   43    44    48    52  -1.16350 -1.0 2.0
   43    44    48    52  -0.34150  1.0 3.0
   44    46    50    51   0.15000  1.0 3.0
   44    46    50    53   0.56750  1.0 1.0
   44    46    50    53  -0.07550 -1.0 2.0
   44    46    50    53   0.20000  1.0 3.0
   44    46    50    56   0.62750  1.0 1.0
   44    46    50    56  -0.30950 -1.0 2.0
   44    46    50    56   0.27300  1.0 3.0
   44    48   -52    76   0.06250  1.0 1.0
   44    48   -52    76  -0.01100 -1.0 2.0
   44    48   -52    76   0.28050  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    48    76   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    52   0.23400  1.0 3.0
   46    39    41    42   0.30150 -1.0 2.0
   46    39   -41    43   0.36750  1.0 3.0
   46    44    48    76   0.07850  1.0 1.0
   46    44    48    76  -0.03950 -1.0 2.0
   46    44    48    76   0.67350  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    52   0.02550  1.0 1.0
   46    44    48    52  -0.02600 -1.0 2.0
   46    44    48    52   1.20400  1.0 3.0
   46    50    53    54   0.15000  1.0 3.0
   46    50    53    55   0.15000  1.0 3.0
   46    50    53    57   0.34400  1.0 1.0
   46    50    53    57   0.09450 -1.0 2.0
   46    50    53    57   0.11100  1.0 3.0
   46    50    56    58  -0.25900  1.0 1.0
   46    50    56    58  -0.47000 -1.0 2.0
   46    50    56    58   0.11750  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    53   0.15000  1.0 3.0
   47    46    50    56   0.23400  1.0 3.0
   50    53    57    60   0.09850  1.0 1.0
   50    53    57    60   0.15250 -1.0 2.0
   50    53    57    60  -0.50650  1.0 3.0
   50    53    57    77   0.09700  1.0 1.0
   50    53    57    77   0.15600 -1.0 2.0
   50    53    57    77  -0.50800  1.0 3.0
   50    56    58    59   3.00000 -1.0 2.0
   50    56    58    62   2.00000 -1.0 2.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    57   0.15000  1.0 3.0
   51    50    56    58   0.08050  1.0 3.0
   53    50    56    58  -0.25900  1.0 1.0
   53    50    56    58  -0.47000 -1.0 2.0
   53    50    56    58   0.11750  1.0 3.0
   53    57    60    61   7.00000 -1.0 2.0
   53    57    60    63   7.00000 -1.0 2.0
   53    57    77    75  -0.15000  1.0 1.0
   53    57    77    75   0.89550 -1.0 2.0
   53    57    77    75  -0.06900  1.0 3.0
   53    57    77    78  -0.64400  1.0 1.0
   53    57    77    78   0.26850 -1.0 2.0
   54    53    57    60   0.00000  1.0 1.0
   54    53    57    77   0.15000  1.0 3.0
   55    53    57    60   0.00000  1.0 1.0
   55    53    57    77   0.15000  1.0 3.0
   57    60    63    64   0.00000  1.0 1.0
   57    60    63    72   0.09850  1.0 1.0
   57    60    63    72   0.15250 -1.0 2.0
   57    60    63    72  -0.50650  1.0 3.0
   57    60   -63    75   0.39000  1.0 1.0
   57    60   -63    75  -0.05800 -1.0 2.0
   57    60   -63    75  -0.55150  1.0 3.0
   60    57   -77    75  -0.56150  1.0 1.0
   60    57   -77    75   2.19150 -1.0 2.0
   60    57    77    78   1.00000 -1.0 2.0
   60    63    72    73   0.15000  1.0 3.0
   60    63    72    74   0.15000  1.0 3.0
   60    63    72    76   0.34400  1.0 1.0
   60    63    72    76   0.09450 -1.0 2.0
   60    63    72    76   0.11100  1.0 3.0
   60    63   -75    77  -0.82050  1.0 1.0
   60    63   -75    77   0.00600 -1.0 2.0
   60    63   -75    77   0.04400  1.0 3.0
   61    60    63    64   0.33100  1.0 3.0
   61    60    63    72   0.00000  1.0 1.0
   61    60    63    75   0.00000  1.0 1.0
   63    72    76    48   0.07850  1.0 1.0
   63    72    76    48  -0.03950 -1.0 2.0
   63    72    76    48   0.67350  1.0 3.0
   63    72    76    52   0.02550  1.0 1.0
   63    72    76    52  -0.02600 -1.0 2.0
   63    72    76    52   1.20400  1.0 3.0
   63    72    76    79   0.56750  1.0 1.0
   63    72    76    79  -0.07550 -1.0 2.0
   63    72    76    79   0.20000  1.0 3.0
   63    75   -77    57   2.00000 -1.0 2.0
   63    75    77    78   3.00000 -1.0 2.0
   64    63    72    73   0.15000  1.0 3.0
   64    63    72    74   0.15000  1.0 3.0
   64    63    72    76   0.15000  1.0 3.0
   64    63    75    77   0.08050  1.0 3.0
   72    63    75    77  -0.25900  1.0 1.0
   72    63    75    77  -0.47000 -1.0 2.0
   72    63    75    77   0.11750  1.0 3.0
   72    76    48    44   0.56750  1.0 1.0
   72    76    48    44  -0.07550 -1.0 2.0
   72    76    48    44   0.20000  1.0 3.0
   72    76    48    49   0.15000  1.0 3.0
   72    76   -48    52   0.02550  1.0 1.0
   72    76   -48    52  -0.02600 -1.0 2.0
   72    76   -48    52   1.20400  1.0 3.0
   72    76   -52    48   0.06250  1.0 1.0
   72    76   -52    48  -0.01100 -1.0 2.0
   72    76   -52    48   0.28050  1.0 3.0
   72    76    79    80   0.15000  1.0 3.0
   72    76    79    81   0.15000  1.0 3.0
   72    76    79    82   0.15000  1.0 3.0
   73    72    76    48   0.15000  1.0 3.0
   73    72    76    52   0.23400  1.0 3.0
   73    72    76    79   0.15000  1.0 3.0
   74    72    76    48   0.15000  1.0 3.0
   74    72    76    52   0.23400  1.0 3.0
   74    72    76    79   0.15000  1.0 3.0
   48    44    46    39   0.47050  1.0 1.0
   48    44    46    39   0.03900 -1.0 2.0
   48    44    46    39   0.20100  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.47050  1.0 1.0
   48    44    46    50   0.03900 -1.0 2.0
   48    44    46    50   0.20100  1.0 3.0
   48    76    79    80   0.15000  1.0 3.0
   48    76    79    81   0.15000  1.0 3.0
   48    76    79    82   0.15000  1.0 3.0
   49    48   -52    76   0.36800  1.0 3.0
   52    76   -48    44   0.02550  1.0 1.0
   52    76   -48    44  -0.02600 -1.0 2.0
   52    76   -48    44   1.20400  1.0 3.0
   52    76   -48    49   0.23400  1.0 3.0
   52    76    79    80   0.23400  1.0 3.0
   52    76    79    81   0.23400  1.0 3.0
   52    76    79    82   0.23400  1.0 3.0
   79    76    48    44   0.56750  1.0 1.0
   79    76    48    44  -0.07550 -1.0 2.0
   79    76    48    44   0.20000  1.0 3.0
   79    76    48    49   0.15000  1.0 3.0
   79    76   -48    52   0.02550  1.0 1.0
   79    76   -48    52  -0.02600 -1.0 2.0
   79    76   -48    52   1.20400  1.0 3.0
   79    76   -52    48   0.06250  1.0 1.0
   79    76   -52    48  -0.01100 -1.0 2.0
   79    76   -52    48   0.28050  1.0 3.0
   75    63    72    73   0.23400  1.0 3.0
   75    63    72    74   0.23400  1.0 3.0
   75    63    72    76  -0.26800  1.0 1.0
   75    63    72    76   0.69150 -1.0 2.0
   75    63    72    76  -0.48750  1.0 3.0
   77    57    60    61   7.00000 -1.0 2.0
   77    57   -60    63   7.00000 -1.0 2.0
   56    50    53    54   0.23400  1.0 3.0
   56    50    53    55   0.23400  1.0 3.0
   56    50    53    57   0.61850  1.0 1.0
   56    50    53    57  -0.22750 -1.0 2.0
   56    50    53    57   0.15300  1.0 3.0
   56    58    62    65  -0.56150  1.0 1.0
   56    58    62    65   2.19150 -1.0 2.0
   56    58    62    68  -0.15000  1.0 1.0
   56    58    62    68   0.89550 -1.0 2.0
   56    58    62    68  -0.06900  1.0 3.0
   58    62    65    66   7.00000 -1.0 2.0
   58    62    65    67   7.00000 -1.0 2.0
   58    62    68    69   0.15000  1.0 3.0
   58    62    68    70   0.15000  1.0 3.0
   58    62    68    71   0.15000  1.0 3.0
   59    58    62    65   1.00000 -1.0 2.0
   59    58    62    68  -0.64400  1.0 1.0
   59    58    62    68   0.26850 -1.0 2.0
   65    62    68    69   0.00000  1.0 1.0
   65    62    68    70   0.00000  1.0 1.0
   65    62    68    71   0.00000  1.0 1.0
   68    62    65    66   7.00000 -1.0 2.0
   68    62    65    67   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
   39    43    41    42  10.50000 -1.0 2.0
   53    77    57    60   1.10000 -1.0 2.0
   63    61    60    57   1.10000 -1.0 2.0
   57    75    77    78  10.50000 -1.0 2.0
   56    62    58    59  10.50000 -1.0 2.0
   58    68    62    65  15.00000 -1.0 2.0
   66    67    65    62  15.00000 -1.0 2.0
END
