* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    145    219     421
    1     0 S   NP   _N1_     1    28.85019    95.50319   -21.59300
    2     1 S   H    _HN1     2     1.02951    81.17467    21.79599
    3     1 S   H    _H1_     3     1.02832    35.74100   158.19353
    4     1 S   H    _H2_     4     1.02783    93.88760   -86.19383
    5     1 S   CT   _CA1     5     1.50131   144.80033   134.88398
    6     5 S   HC   _HA1     6     1.09574   105.17716    73.52737
    7     5 S   CO3  _C1_     7     1.53757   112.42035   -46.62225
    8     7 S   O2Z  _O11     8     1.26374   115.01285   -42.43525
    9     7 S   O2Z  _O12     9     1.26241   114.96139   136.64318
   10     5 S   CT   _CB1    10     1.53086   107.40595  -168.54805
   11    10 S   HC   HB11    11     1.09827   109.29522   -49.78017
   12    10 S   HC   HB12    12     1.09816   110.47065    66.81707
   13    10 S   CT   _CG1    13     1.52979   112.65573  -170.81329
   14    13 S   HC   HG11    14     1.09522   110.48404   -66.02734
   15    13 S   HC   HG12    15     1.09666   109.89926    53.16516
   16    13 S   C    _CD1    16     1.51819   112.31460   173.49386
   17    16 S   O    _OE1    17     1.22724   123.29483     2.76662
   18    16 S   N    _N2_    18     1.38609   111.64291  -177.16296
   19    18 S   H    _HN2    19     1.01605   118.95525     0.68185
   20    18 S   CT1  _CA2    20     1.46313   123.45936   177.96106
   21    20 S   HC   _HA2    21     1.09736   109.42852    -6.50861
   22    20 S   C    _C2_    22     1.53425   108.37808  -121.95527
   23    22 S   O    _O2_    23     1.23030   122.37056  -148.18230
   24    20 S   CT   _CB2    32     1.53352   111.26517   115.71915
   25    24 S   HC   HB21    33     1.09292   109.22116    55.24920
   26    24 S   HC   HB22    34     1.09499   110.64819   173.63243
   27    22 S   N    _N3_    24     1.38366   113.49874    39.36311
   28    27 S   H    _HN3    25     1.01630   119.50349    -3.63383
   29    24 S   S    _SG2    35     1.82992   110.86499   -67.51013
   30    27 S   CT   _CA3    26     1.45284   123.16055   176.98286
   31    30 S   HC   HA31    27     1.09551   107.54084   -63.59169
   32    30 S   HC   HA32    28     1.09558   107.93535    52.82269
   33    29 S   CT   _C17    36     1.86813   102.31150   148.55925
   34    30 S   CO3  _C3_    29     1.52943   114.11410   174.79832
   35    34 S   O2Z  _O31    30     1.26370   116.05893    -0.57061
   36    34 S   O2Z  _O32    31     1.26429   114.41496   179.47885
   37    33 S   CO4  _C11    37     1.53175   107.24530   -63.90859
   38    37 S   O    _O22    38     1.22859   122.90131   100.89153
   39    33 S   CT   _C16    51     1.53616   107.30349   178.42281
   40    39 S   HC   _H30    52     1.09756   110.56147   -56.26556
   41    39 S   HC   _H31    53     1.09498   111.06396  -174.98612
   42    33 S   CT   _C21    54     1.55129   109.09301    58.51985
   43    42 S   HC   _H41    55     1.09588   109.95369    54.30218
   44    42 S   HC   _H42    56     1.09762   110.50909   -61.34723
   45    37 S   CA   _C9_    39     1.48396   118.00025   -76.65538
   46    42 S   CM   _C12    57     1.51005   114.70152   179.37380
   47    46 S   HC   _H28    58     1.08987   113.94392    77.90672
   48    45 S   CA   _C7_    40     1.40024   119.08782   165.18124
   49    48 S   HA   _H27    41     1.08701   121.22776     1.03684
   50    46 S   CM   _C14    59     1.34773   128.44034  -103.30937
   51    48 S   CA   _C5_    42     1.39468   120.04280  -178.13355
   52    51 S   HA   _H25    43     1.08668   120.00872   179.37162
   53    50 S   CT   _C18    60     1.50374   124.88669     1.34785
   54    53 S   HC   _H32    61     1.09443   110.43277   120.94234
   55    53 S   HC   _H33    62     1.09492   110.08873  -119.43981
   56    53 S   HC   _H34    63     1.09192   113.50544     1.00930
   57    50 S   CT   _C23    64     1.51812   119.81421  -177.75153
   58    57 S   HC   _H45    65     1.09785   108.46308   132.71771
   59    57 S   HC   _H46    66     1.09850   110.43622    17.92433
   60    51 S   CA   _C4_    44     1.39311   120.11028     0.11364
   61    60 S   HA   _H24    45     1.08667   119.88837   179.43421
   62    57 S   CT   _C22    67     1.53554   114.32766  -105.61564
   63    62 S   HC   _H43    68     1.09261   110.07127   -59.22773
   64    62 S   HC   _H44    69     1.09757   108.03483  -174.16031
   65    60 S   CA   _C6_    46     1.39445   120.10264    -0.43701
   66    65 S   HA   _H26    47     1.08699   118.82448  -179.46113
   67    62 S   CM   _C13    70     1.50522   112.73341    67.50468
   68    67 S   HC   _H29    71     1.08993   113.87864    58.53491
   69    45 S   CA   _C8_    48     1.39716   121.11690   -13.49665
   70    67 S   CM   _C15    72     1.34680   128.33758  -122.70283
   71    69 S   CO4  _C10    49     1.47853   120.77100    -3.74701
   72    71 S   O    _O21    50     1.22717   120.74879   175.86341
   73    70 S   CT   _C19    73     1.50623   120.29760  -179.02642
   74    73 S   HC   _H35    74     1.09491   110.19149   118.75073
   75    73 S   HC   _H36    75     1.09505   112.47105    -1.45320
   76    73 S   HC   _H37    76     1.09423   110.30690  -121.52699
   77    70 S   CT   _C20    77     1.50264   125.50934     0.82638
   78    77 S   HC   _H38    78     1.09519   110.14036   125.95965
   79    77 S   HC   _H39    79     1.09497   109.98892  -114.91472
   80    77 S   HC   _H40    80     1.09138   113.72014     5.97898
  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  12   5   4   3
  16   2   1   1  15   5  11   5   4   9   4   3  10  10   3   8
   4  11   6   3   7   3   2   1   8   5   4   5   3   7   4   3
   4   2  10   3   2   8   1   1   7   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    71    39    40    41    42    43    44    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    48    69    71    72    39    40    41    42    43    44    46    47    50  
   35    36  
   36  
    0  
   38    45    48    49    51    65    69    71    39    40    41    42    43    44    46  
   45    48    69    39    42  
   40    41    42    43    44    46    45    65    69    71    72  
   41    42    69    71    72  
   42    69    71    72  
   43    44    46    47    50    53    57    45    71  
   44    46    47    50  
   46    47    50  
   48    49    51    52    60    65    66    69    71    72  
   47    50    53    54    55    56    57    58    59    62  
   50    53    57  
   49    51    52    60    61    65    69    71  
   51    52    60    69  
   53    54    55    56    57    58    59    62    63    64    67  
   52    60    61    65    66    69  
   60    61    65  
   54    55    56    57    58    59    62  
   55    56    57  
   56    57  
   57  
   58    59    62    63    64    67    68    70  
   59    62    63    64    67  
   62    63    64    67  
   61    65    66    69    71  
   65    66    69  
   63    64    67    68    70    73    77  
   64    67    68    70  
   67    68    70  
   66    69    71    72  
   69    71  
   68    70    73    74    75    76    77    78    79    80  
   70    73    77  
   71    72  
   73    74    75    76    77    78    79    80  
   72  
    0  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    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   0.167500   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   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    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  1.522
   33    39   268.000  1.529
   33    42   268.000  1.529
   37    38   570.000  1.229
   37    45   310.000  1.470
   45    48   469.000  1.400
   45    69   469.000  1.400
   48    49   367.000  1.080
   48    51   469.000  1.400
   51    52   367.000  1.080
   51    60   469.000  1.400
   60    61   367.000  1.080
   60    65   469.000  1.400
   65    66   367.000  1.080
   65    69   469.000  1.400
   69    71   310.000  1.470
   71    72   570.000  1.229
   71    39   317.000  1.522
   39    40   340.000  1.090
   39    41   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    46   317.000  1.510
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    53   317.000  1.510
   50    57   317.000  1.510
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   317.000  1.510
   67    68   340.000  1.080
   67    70   549.000  1.340
   70    73   317.000  1.510
   70    77   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   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    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    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    45    65.00000  115.47100
   33    39    71    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    46    70.00000  112.02700
   37    45    48    60.00000  119.52600
   37    45    69    60.00000  119.52600
   45    37    38    75.00000  123.78400
   45    48    49    35.00000  120.00000
   45    48    51    63.00000  120.00000
   45    69    65    63.00000  120.00000
   45    69    71    60.00000  119.52600
   48    51    52    35.00000  120.00000
   48    51    60    63.00000  120.00000
   51    48    49    35.00000  120.00000
   51    60    61    35.00000  120.00000
   51    60    65    63.00000  120.00000
   60    51    52    35.00000  120.00000
   60    65    66    35.00000  120.00000
   60    65    69    63.00000  120.00000
   65    60    61    35.00000  120.00000
   65    69    71    60.00000  119.52600
   69    45    48    63.00000  120.00000
   69    65    66    35.00000  120.00000
   69    71    72    75.00000  123.78400
   69    71    39    65.00000  115.47100
   71    39    40    35.00000  109.50000
   71    39    41    35.00000  109.50000
   39    33    37    63.00000  111.10000
   39    71    72    80.00000  120.40000
   41    39    40    33.00000  107.80000
   42    33    37    63.00000  111.10000
   42    33    39    58.35000  112.70000
   42    46    47    35.00000  117.00000
   42    46    50    70.00000  124.00000
   44    42    43    33.00000  107.80000
   46    42    43    35.00000  109.50000
   46    42    44    35.00000  109.50000
   46    50    53    70.00000  124.00000
   46    50    57    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   50    57    58    35.00000  109.50000
   50    57    59    35.00000  109.50000
   50    57    62    70.00000  112.02700
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   57    50    53    65.00000  117.92700
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    67    70.00000  112.02700
   59    57    58    33.00000  107.80000
   62    57    58    37.50000  110.70000
   62    57    59    37.50000  110.70000
   62    67    68    35.00000  117.00000
   62    67    70    70.00000  124.00000
   64    62    63    33.00000  107.80000
   67    62    63    35.00000  109.50000
   67    62    64    35.00000  109.50000
   67    70    73    70.00000  124.00000
   67    70    77    70.00000  124.00000
   70    67    68    35.00000  120.00000
   70    73    74    35.00000  109.50000
   70    73    75    35.00000  109.50000
   70    73    76    35.00000  109.50000
   70    77    78    35.00000  109.50000
   70    77    79    35.00000  109.50000
   70    77    80    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    70    73    65.00000  117.92700
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  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
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    37    38   0.30150 -1.0 2.0
   29    33    37    45   0.65300  1.0 1.0
   29    33    37    45  -0.03850 -1.0 2.0
   29    33    37    45   0.33900  1.0 3.0
   29    33    39    71   0.56750  1.0 1.0
   29    33    39    71  -0.07550 -1.0 2.0
   29    33    39    71   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    46   0.56750  1.0 1.0
   29    33    42    46  -0.07550 -1.0 2.0
   29    33    42    46   0.20000  1.0 3.0
   33    37    45    48   2.26350  1.0 1.0
   33    37    45    48   0.76750 -1.0 2.0
   33    37    45    48   0.22500  1.0 3.0
   33    37    45    69   2.26350  1.0 1.0
   33    37    45    69   0.76750 -1.0 2.0
   33    37    45    69   0.22500  1.0 3.0
   33    42    46    47   0.00000  1.0 1.0
   33    42    46    50   0.09850  1.0 1.0
   33    42    46    50   0.15250 -1.0 2.0
   33    42    46    50  -0.50650  1.0 3.0
   37    33    39    71   0.11950  1.0 1.0
   37    33    39    71   0.20300 -1.0 2.0
   37    33    39    71  -0.70800  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    42    43  -0.11250  1.0 3.0
   37    33    42    44  -0.11250  1.0 3.0
   37    33    42    46  -0.98800  1.0 1.0
   37    33    42    46   0.48800 -1.0 2.0
   37    33    42    46   0.76800  1.0 3.0
   37    45    48    49   3.62500 -1.0 2.0
   37    45    48    51   3.62500 -1.0 2.0
   37    45    69    65   3.62500 -1.0 2.0
   37    45   -69    71   3.62500 -1.0 2.0
   38    37    45    48   1.05000 -1.0 2.0
   38    37    45    69   1.05000 -1.0 2.0
   45    48    51    52   3.62500 -1.0 2.0
   45    48    51    60   3.62500 -1.0 2.0
   45    69    71    72   1.05000 -1.0 2.0
   45    69    71    39   2.26350  1.0 1.0
   45    69    71    39   0.76750 -1.0 2.0
   45    69    71    39   0.22500  1.0 3.0
   48    45    69    65   3.62500 -1.0 2.0
   48    45    69    71   3.62500 -1.0 2.0
   48    51    60    61   3.62500 -1.0 2.0
   48    51   -60    65   3.62500 -1.0 2.0
   49    48    51    52   3.62500 -1.0 2.0
   49    48    51    60   3.62500 -1.0 2.0
   51    60    65    66   3.62500 -1.0 2.0
   51    60    65    69   3.62500 -1.0 2.0
   52    51    60    61   3.62500 -1.0 2.0
   52    51    60    65   3.62500 -1.0 2.0
   60    65   -69    45   3.62500 -1.0 2.0
   60    65    69    71   3.62500 -1.0 2.0
   61    60    65    66   3.62500 -1.0 2.0
   61    60    65    69   3.62500 -1.0 2.0
   65    69    71    72   1.05000 -1.0 2.0
   65    69    71    39   2.26350  1.0 1.0
   65    69    71    39   0.76750 -1.0 2.0
   65    69    71    39   0.22500  1.0 3.0
   66    65    69    45   3.62500 -1.0 2.0
   66    65    69    71   3.62500 -1.0 2.0
   69    45    48    49   3.62500 -1.0 2.0
   69    45   -48    51   3.62500 -1.0 2.0
   69    71   -39    33   0.05850 -1.0 2.0
   69    71   -39    33   0.17250  1.0 3.0
   69    71    39    40   0.00000  1.0 1.0
   69    71    39    41   0.00000  1.0 1.0
   72    71    39    33   0.30150 -1.0 2.0
   72    71    39    40   0.00000  1.0 1.0
   72    71    39    41   0.00000  1.0 1.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    45   0.05850 -1.0 2.0
   39    33   -37    45   0.17250  1.0 3.0
   39    33    42    43   0.15000  1.0 3.0
   39    33    42    44   0.15000  1.0 3.0
   39    33    42    46   0.34400  1.0 1.0
   39    33    42    46   0.09450 -1.0 2.0
   39    33    42    46   0.11100  1.0 3.0
   42    33    37    38   0.30150 -1.0 2.0
   42    33    37    45   0.05850 -1.0 2.0
   42    33    37    45   0.17250  1.0 3.0
   42    33    39    71  -0.95700  1.0 1.0
   42    33    39    71  -0.18200 -1.0 2.0
   42    33    39    71   0.29450  1.0 3.0
   42    33    39    40   0.15000  1.0 3.0
   42    33    39    41   0.15000  1.0 3.0
   42    46    50    53   7.00000 -1.0 2.0
   42    46    50    57   7.00000 -1.0 2.0
   43    42    46    47   0.33100  1.0 3.0
   43    42    46    50   0.00000  1.0 1.0
   44    42    46    47   0.33100  1.0 3.0
   44    42    46    50   0.00000  1.0 1.0
   46    50    53    54   0.00000  1.0 1.0
   46    50    53    55   0.00000  1.0 1.0
   46    50    53    56   0.00000  1.0 1.0
   46    50    57    58   0.00000  1.0 1.0
   46    50    57    59   0.00000  1.0 1.0
   46    50    57    62   0.09850  1.0 1.0
   46    50    57    62   0.15250 -1.0 2.0
   46    50    57    62  -0.50650  1.0 3.0
   47    46    50    53   7.00000 -1.0 2.0
   47    46    50    57   7.00000 -1.0 2.0
   50    57    62    63   0.15000  1.0 3.0
   50    57    62    64   0.15000  1.0 3.0
   50    57    62    67   0.31000  1.0 1.0
   50    57    62    67   0.14700 -1.0 2.0
   50    57    62    67   0.07550  1.0 3.0
   53    50    57    58   0.34800  1.0 3.0
   53    50    57    59   0.34800  1.0 3.0
   53    50    57    62   0.46850  1.0 1.0
   53    50    57    62   0.08550 -1.0 2.0
   53    50    57    62   0.09800  1.0 3.0
   57    50    53    54   0.34800  1.0 3.0
   57    50    53    55   0.34800  1.0 3.0
   57    50    53    56   0.34800  1.0 3.0
   57    62    67    68   0.00000  1.0 1.0
   57    62    67    70   0.09850  1.0 1.0
   57    62    67    70   0.15250 -1.0 2.0
   57    62    67    70  -0.50650  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    67   0.15000  1.0 3.0
   59    57    62    63   0.15000  1.0 3.0
   59    57    62    64   0.15000  1.0 3.0
   59    57    62    67   0.15000  1.0 3.0
   62    67    70    73   7.00000 -1.0 2.0
   62    67    70    77   7.00000 -1.0 2.0
   63    62    67    68   0.33100  1.0 3.0
   63    62    67    70   0.00000  1.0 1.0
   64    62    67    68   0.33100  1.0 3.0
   64    62    67    70   0.00000  1.0 1.0
   67    70    73    74   0.00000  1.0 1.0
   67    70    73    75   0.00000  1.0 1.0
   67    70    73    76   0.00000  1.0 1.0
   67    70    77    78   0.00000  1.0 1.0
   67    70    77    79   0.00000  1.0 1.0
   67    70    77    80   0.00000  1.0 1.0
   68    67    70    73   7.00000 -1.0 2.0
   68    67    70    77   7.00000 -1.0 2.0
   73    70    77    78   0.34800  1.0 3.0
   73    70    77    79   0.34800  1.0 3.0
   73    70    77    80   0.34800  1.0 3.0
   77    70    73    74   0.34800  1.0 3.0
   77    70    73    75   0.34800  1.0 3.0
   77    70    73    76   0.34800  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
   33    45    37    38  10.50000 -1.0 2.0
   48    69    45    37   4.00000 -1.0 2.0
   51    49    48    45   1.10000 -1.0 2.0
   60    52    51    48   1.10000 -1.0 2.0
   65    61    60    51   1.10000 -1.0 2.0
   69    66    65    60   1.10000 -1.0 2.0
   65    71    69    45   4.00000 -1.0 2.0
   69    39    71    72  10.50000 -1.0 2.0
   42    47    46    50  15.00000 -1.0 2.0
   53    57    50    46  15.00000 -1.0 2.0
   62    68    67    70  15.00000 -1.0 2.0
   73    77    70    67  15.00000 -1.0 2.0
END
