* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    146    228     427
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02108    70.18843    68.01988
    3     1 S   H    _H1_     3     1.02123    43.09994  -139.87779
    4     1 S   H    _H2_     4     1.02123   103.82305   -37.18660
    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     1.88019    99.89116   180.00000
   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     1.49676   112.34021    60.02142
   38    33 S   CM   _C18    71     1.54374   105.52481  -178.01860
   39    38 S   HC   _H36    72     1.09231   113.73360    -3.68015
   40    33 S   OH   _O29    82     1.44145   106.82229   -62.61794
   41    40 S   HO   _H49    83     0.97223   108.17998  -176.92642
   42    37 S   CA   _C12    38     1.39283   119.93132    58.32208
   43    38 S   CMA  _C19    73     1.35496   129.61586   177.54513
   44    43 S   OM   _O23    74     1.26232   132.20593     1.84069
   45    42 S   CA   _C7_    39     1.39548   120.11945  -179.89532
   46    45 S   HA   _H35    40     1.08739   119.23540  -179.91844
   47    42 S   CT   _C23    61     1.49440   121.01266     0.19180
   48    47 S   HC   _H43    62     1.10072   110.04887    -0.03426
   49    47 S   HC   _H44    63     1.10030   110.05164   117.62798
   50    43 S   CT   _C24    75     1.53197   116.40181  -179.97202
   51    50 S   HC   _H45    76     1.09995   111.16718    33.46565
   52    50 S   HC   _H46    77     1.09943   110.23217   149.04273
   53    45 S   CA   _C9_    41     1.39976   119.94071     0.09065
   54    47 S   CO4  _C20    64     1.51529   113.40684  -121.21043
   55    54 S   O    _O26    65     1.22340   125.01323     2.30520
   56    50 S   CT   _C21    78     1.52638   112.90520   -89.97844
   57    56 S   HC   _H37    79     1.09473   110.04695   -55.59085
   58    56 S   HC   _H38    80     1.09540   111.52225  -175.23667
   59    56 S   HC   _H39    81     1.09592   111.15392    63.91964
   60    53 S   CA   _C11    42     1.39593   119.95651    -0.07133
   61    54 S   OS   _O30    66     1.36713   109.22957  -177.83418
   62    37 S   CA   _C15    43     1.39542   119.97477  -121.48711
   63    60 S   CO4  _C17    46     1.47751   120.49599  -179.98022
   64    63 S   O    _O25    47     1.22391   120.61668   179.97202
   65    61 S   CT   _C22    67     1.43133   115.49891  -179.94065
   66    65 S   HC   _H40    68     1.09182   109.50274  -179.95154
   67    65 S   HC   _H41    69     1.09243   109.49556    59.23286
   68    65 S   HC   _H42    70     1.09232   108.98559   -60.36798
   69    62 S   OH   _O28    44     1.36550   117.83624    -0.18975
   70    69 S   HO   _H48    45     0.96834   110.07277  -179.93744
   71    63 S   CA   _C10    48     1.47741   119.01416    -0.02798
   72    71 S   CA   _C8_    49     1.39585   120.50563     0.06561
   73    72 S   CA   _C5_    50     1.39970   119.92236   179.96574
   74    73 S   HA   _H33    51     1.08724   121.35917  -179.98022
   75    53 S   CO4  _C16    59     1.47770   119.56400   180.00000
   76    75 S   O    _O24    60     1.22436   120.50567     0.04846
   77    73 S   CA   _C4_    52     1.39507   120.02159    -0.00000
   78    77 S   HA   _H32    53     1.08585   119.96872  -179.93439
   79    77 S   CA   _C6_    54     1.39373   120.03234    -0.00000
   80    79 S   HA   _H34    55     1.08741   119.43795  -179.96044
   81    71 S   CA   _C14    56     1.40014   119.55855   179.97202
   82    81 S   OH   _O27    57     1.36286   123.07623     0.12820
   83    82 S   HO   _H47    58     0.96951   110.17102    -0.06256
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   2   1   1  18  11   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    62    38    39    43    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    45    60    62    69    47    38    39    43    44    50    40    41  
   35    36  
   36  
    0  
   42    45    46    53    60    62    69    70    63    47    48    49    54    38    39    43    40    41  
   39    43    44    50    51    52    56    40    41    42    62  
   43    44    50    40  
   41    42    43    62  
    0  
   45    46    53    60    62    69    75    47    48    49    54    55    61  
   44    50    51    52    56    57    58    59  
   50    51    52    56  
   46    53    60    62    63    72    75    76    47    48    49    54  
   53    60    75    47  
   48    49    54    55    61    65    53    62  
   49    54    55    61  
   54    55    61  
   51    52    56    57    58    59  
   52    56    57    58    59  
   56    57    58    59  
   60    62    69    63    64    71    72    73    75    76  
   55    61    65    66    67    68  
   61    65  
   57    58    59  
   58    59  
   59  
    0  
   62    69    70    63    64    71    72    81    75    76  
   65    66    67    68  
   69    70    63    64    71    75  
   64    71    72    73    79    81    82    75    69  
   71    72    81  
   66    67    68  
   67    68  
   68  
    0  
   70  
    0  
   72    73    74    77    79    80    81    82    83    75    76  
   73    74    77    78    79    81    82    75    76  
   74    77    78    79    80    81    75    76  
   77    78    79    75  
   76    77    81  
    0  
   78    79    80    81    82  
   79    80    81  
   80    81    82    83  
   81    82  
   82    83  
   83  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   62   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   82   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   83   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   317.000  1.510
   33    40   320.000  1.410
   37    42   469.000  1.400
   37    62   469.000  1.400
   42    45   469.000  1.400
   42    47   317.000  1.510
   45    46   367.000  1.080
   45    53   469.000  1.400
   53    60   469.000  1.400
   53    75   310.000  1.470
   60    62   469.000  1.400
   60    63   310.000  1.470
   62    69   450.000  1.364
   69    70   553.000  0.945
   63    64   570.000  1.229
   63    71   310.000  1.470
   71    72   469.000  1.400
   71    81   469.000  1.400
   72    73   469.000  1.400
   72    75   310.000  1.470
   73    74   367.000  1.080
   73    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   450.000  1.364
   82    83   553.000  0.945
   75    76   570.000  1.229
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    54   317.000  1.522
   54    55   570.000  1.229
   54    61   214.000  1.327
   61    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   38    39   340.000  1.080
   38    43   465.000  1.376
   43    44   745.000  1.250
   43    50   270.000  1.512
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   40    41   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    80.00000  109.48900
   29    33    38    75.00000  112.20000
   29    33    40    85.00000  114.68000
   33    37    42    70.00000  120.00000
   33    37    62    70.00000  120.00000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    55.00000  108.50000
   37    42    45    63.00000  120.00000
   37    42    47    70.00000  120.00000
   37    62    60    63.00000  120.00000
   37    62    69    70.00000  120.00000
   42    45    46    35.00000  120.00000
   42    45    53    63.00000  120.00000
   42    47    48    35.00000  109.50000
   42    47    49    35.00000  109.50000
   42    47    54    70.00000  110.93000
   45    53    60    63.00000  120.00000
   45    53    75    60.00000  119.52600
   53    45    46    35.00000  120.00000
   53    60    62    63.00000  120.00000
   53    60    63    60.00000  119.52600
   53    75    72    65.00000  116.00000
   53    75    76    75.00000  123.78400
   60    62    69    70.00000  120.00000
   60    63    64    75.00000  123.78400
   60    63    71    65.00000  116.00000
   62    37    42    63.00000  120.00000
   62    69    70    35.00000  113.00000
   63    60    62    60.00000  119.52600
   63    71    72    60.00000  119.52600
   63    71    81    60.00000  119.52600
   71    63    64    75.00000  123.78400
   71    72    73    63.00000  120.00000
   71    72    75    60.00000  119.52600
   71    81    79    63.00000  120.00000
   71    81    82    70.00000  120.00000
   72    73    74    35.00000  120.00000
   72    73    77    63.00000  120.00000
   72    75    76    75.00000  123.78400
   73    77    78    35.00000  120.00000
   73    77    79    63.00000  120.00000
   77    73    74    35.00000  120.00000
   77    79    80    35.00000  120.00000
   77    79    81    63.00000  120.00000
   79    77    78    35.00000  120.00000
   79    81    82    70.00000  120.00000
   81    71    72    63.00000  120.00000
   81    79    80    35.00000  120.00000
   81    82    83    35.00000  113.00000
   75    53    60    60.00000  119.52600
   75    72    73    60.00000  119.52600
   47    42    45    70.00000  120.00000
   47    54    55    80.00000  120.40000
   47    54    61    81.00000  111.40000
   49    47    48    33.00000  107.80000
   54    47    48    35.00000  109.50000
   54    47    49    35.00000  109.50000
   54    61    65    83.00000  116.90000
   61    54    55    83.00000  123.40000
   61    65    66    35.00000  109.50000
   61    65    67    35.00000  109.50000
   61    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   38    33    37    70.00000  112.99600
   38    43    44    65.00000  137.10300
   38    43    50    65.00000  122.18000
   43    38    39    40.00000  120.50800
   43    50    51    45.00000  110.52000
   43    50    52    45.00000  110.52000
   43    50    56    70.00000  112.02700
   50    43    44    85.00000  112.85300
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    59    37.50000  110.70000
   52    50    51    33.00000  107.80000
   56    50    51    37.50000  110.70000
   56    50    52    37.50000  110.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   40    33    37    90.00000  112.51600
   40    33    38    90.00000  110.39200
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42  -0.16000  1.0 1.0
   29    33    37    42  -0.03200 -1.0 2.0
   29    33    37    42   0.04500  1.0 3.0
   29    33    37    62  -0.16000  1.0 1.0
   29    33    37    62  -0.03200 -1.0 2.0
   29    33    37    62   0.04500  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.35600  1.0 1.0
   29    33    40    41  -0.10750 -1.0 2.0
   29    33    40    41  -0.54400  1.0 3.0
   33    37    42    45   3.62500 -1.0 2.0
   33    37    42    47   3.62500 -1.0 2.0
   33    37    62    60   3.62500 -1.0 2.0
   33    37    62    69   3.62500 -1.0 2.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    50   7.00000 -1.0 2.0
   37    33    38    39   0.00000  1.0 1.0
   37    33    38    43   1.44450  1.0 1.0
   37    33    38    43   0.06600 -1.0 2.0
   37    33    38    43   0.29250  1.0 3.0
   37    33    40    41   0.31900  1.0 1.0
   37    33    40    41  -0.11800 -1.0 2.0
   37    33    40    41   0.38750  1.0 3.0
   37    42    45    46   3.62500 -1.0 2.0
   37    42    45    53   3.62500 -1.0 2.0
   37    42    47    48   0.00000  1.0 1.0
   37    42    47    49   0.00000  1.0 1.0
   37    42    47    54   0.04300 -1.0 2.0
   37    62    69    70   0.84100 -1.0 2.0
   42    37    62    60   3.62500 -1.0 2.0
   42    37    62    69   3.62500 -1.0 2.0
   42    45   -53    60   3.62500 -1.0 2.0
   42    45    53    75   3.62500 -1.0 2.0
   42    47    54    55   0.30150 -1.0 2.0
   42    47    54    61   0.40000  1.0 3.0
   45    42    47    48   0.00000  1.0 1.0
   45    42    47    49   0.00000  1.0 1.0
   45    42    47    54   0.04300 -1.0 2.0
   45    53    60    62   3.62500 -1.0 2.0
   45    53    60    63   3.62500 -1.0 2.0
   45    53    75    72   0.56600 -1.0 2.0
   45    53    75    76   1.05000 -1.0 2.0
   46    45    53    60   3.62500 -1.0 2.0
   46    45    53    75   3.62500 -1.0 2.0
   53    60   -62    37   3.62500 -1.0 2.0
   53    60    62    69   3.62500 -1.0 2.0
   53    60    63    64   1.05000 -1.0 2.0
   53    60    63    71   0.56600 -1.0 2.0
   60    53    75    72   0.56600 -1.0 2.0
   60    53    75    76   1.05000 -1.0 2.0
   60    62    69    70   0.84100 -1.0 2.0
   60    63   -71    72   0.56600 -1.0 2.0
   60    63    71    81   0.56600 -1.0 2.0
   62    37   -42    45   3.62500 -1.0 2.0
   62    37    42    47   3.62500 -1.0 2.0
   62    60    63    64   1.05000 -1.0 2.0
   62    60    63    71   0.56600 -1.0 2.0
   63    60    62    37   3.62500 -1.0 2.0
   63    60    62    69   3.62500 -1.0 2.0
   63    71    72    73   3.62500 -1.0 2.0
   63    71    72    75   3.62500 -1.0 2.0
   63    71    81    79   3.62500 -1.0 2.0
   63    71    81    82   3.62500 -1.0 2.0
   64    63    71    72   1.05000 -1.0 2.0
   64    63    71    81   1.05000 -1.0 2.0
   71    72    73    74   3.62500 -1.0 2.0
   71    72    73    77   3.62500 -1.0 2.0
   71    72   -75    53   0.56600 -1.0 2.0
   71    72    75    76   1.05000 -1.0 2.0
   71    81    82    83   0.84100 -1.0 2.0
   72    71    81    79   3.62500 -1.0 2.0
   72    71    81    82   3.62500 -1.0 2.0
   72    73    77    78   3.62500 -1.0 2.0
   72    73   -77    79   3.62500 -1.0 2.0
   73    72    75    53   0.56600 -1.0 2.0
   73    72    75    76   1.05000 -1.0 2.0
   73    77    79    80   3.62500 -1.0 2.0
   73    77    79    81   3.62500 -1.0 2.0
   74    73    77    78   3.62500 -1.0 2.0
   74    73    77    79   3.62500 -1.0 2.0
   77    79   -81    71   3.62500 -1.0 2.0
   77    79    81    82   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   78    77    79    81   3.62500 -1.0 2.0
   79    81    82    83   0.84100 -1.0 2.0
   80    79    81    71   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   81    71   -72    73   3.62500 -1.0 2.0
   81    71    72    75   3.62500 -1.0 2.0
   75    53    60    62   3.62500 -1.0 2.0
   75    53   -60    63   3.62500 -1.0 2.0
   75    72    73    74   3.62500 -1.0 2.0
   75    72    73    77   3.62500 -1.0 2.0
   47    42    45    46   3.62500 -1.0 2.0
   47    42    45    53   3.62500 -1.0 2.0
   47    54    61    65   1.63150  1.0 1.0
   47    54    61    65   2.92000 -1.0 2.0
   48    47    54    55   0.00000  1.0 1.0
   48    47    54    61   0.00000  1.0 1.0
   49    47    54    55   0.00000  1.0 1.0
   49    47    54    61   0.00000  1.0 1.0
   54    61    65    66   0.08050  1.0 3.0
   54    61    65    67   0.08050  1.0 3.0
   54    61    65    68   0.08050  1.0 3.0
   55    54    61    65   3.00000 -1.0 2.0
   38    33    37    42   0.18050 -1.0 2.0
   38    33    37    62   0.18050 -1.0 2.0
   38    33    40    41  -0.07800  1.0 1.0
   38    33    40    41  -0.21500 -1.0 2.0
   38    33    40    41  -0.03150  1.0 3.0
   38    43    50    51   0.00000  1.0 1.0
   38    43    50    52   0.00000  1.0 1.0
   38    43    50    56   0.09850  1.0 1.0
   38    43    50    56   0.15250 -1.0 2.0
   38    43    50    56  -0.50650  1.0 3.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    50   7.00000 -1.0 2.0
   43    50    56    57   0.15000  1.0 3.0
   43    50    56    58   0.15000  1.0 3.0
   43    50    56    59   0.15000  1.0 3.0
   44    43    50    51   0.00000  1.0 1.0
   44    43    50    52   0.00000  1.0 1.0
   44    43    50    56   0.09700  1.0 1.0
   44    43    50    56   0.15600 -1.0 2.0
   44    43    50    56  -0.50800  1.0 3.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    58   0.15000  1.0 3.0
   51    50    56    59   0.15000  1.0 3.0
   52    50    56    57   0.15000  1.0 3.0
   52    50    56    58   0.15000  1.0 3.0
   52    50    56    59   0.15000  1.0 3.0
   40    33    37    42   0.14300 -1.0 2.0
   40    33    37    42   0.00300  1.0 3.0
   40    33    37    62   0.14300 -1.0 2.0
   40    33    37    62   0.00300  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.67800  1.0 1.0
   40    33    38    43   0.47050 -1.0 2.0
   40    33    38    43  -0.62500  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
   42    62    37    33   4.00000 -1.0 2.0
   45    47    42    37   4.00000 -1.0 2.0
   53    46    45    42   1.10000 -1.0 2.0
   60    75    53    45   4.00000 -1.0 2.0
   62    63    60    53   4.00000 -1.0 2.0
   60    69    62    37   4.00000 -1.0 2.0
   60    71    63    64  10.50000 -1.0 2.0
   72    81    71    63   4.00000 -1.0 2.0
   73    75    72    71   4.00000 -1.0 2.0
   77    74    73    72   1.10000 -1.0 2.0
   79    78    77    73   1.10000 -1.0 2.0
   81    80    79    77   1.10000 -1.0 2.0
   79    82    81    71   4.00000 -1.0 2.0
   53    72    75    76  10.50000 -1.0 2.0
   47    61    54    55  10.50000 -1.0 2.0
   33    39    38    43  15.00000 -1.0 2.0
   50    44    43    38  15.00000 -1.0 2.0
END
