* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    146    235     444
    1     0 S   NP   _N1_     1    28.72279    95.42773   -24.40757
    2     1 S   H    _HN1     2     1.02786   110.61893   -94.40256
    3     1 S   H    _H1_     3     1.02950    77.55969    10.76690
    4     1 S   H    _H2_     4     1.02828    30.63186   175.09959
    5     1 S   CT   _CA1     5     1.50114   130.53669   117.09548
    6     5 S   HC   _HA1     6     1.09572   105.19771    86.77287
    7     5 S   CO3  _C1_     7     1.53787   112.45033   -33.48076
    8     7 S   O2Z  _O11     8     1.26375   115.00557   -42.70095
    9     7 S   O2Z  _O12     9     1.26237   114.94810   136.42039
   10     5 S   CT   _CB1    10     1.53076   107.42012  -155.22864
   11    10 S   HC   HB11    11     1.09834   109.39011   -49.53779
   12    10 S   HC   HB12    12     1.09813   110.44066    67.07199
   13    10 S   CT   _CG1    13     1.52995   112.60809  -170.50086
   14    13 S   HC   HG11    14     1.09580   110.65168   -65.50788
   15    13 S   HC   HG12    15     1.09669   109.77690    53.73171
   16    13 S   C    _CD1    16     1.51800   112.18501   174.20762
   17    16 S   O    _OE1    17     1.22734   123.27126     7.64442
   18    16 S   N    _N2_    18     1.38653   111.70292  -172.50509
   19    18 S   H    _HN2    19     1.01587   118.94937     1.80472
   20    18 S   CT1  _CA2    20     1.46210   123.37655   177.51793
   21    20 S   HC   _HA2    21     1.09735   109.35627     3.45105
   22    20 S   C    _C2_    22     1.53566   108.69112  -112.06349
   23    22 S   O    _O2_    23     1.23062   122.25115  -148.28876
   24    20 S   CT   _CB2    32     1.53354   111.55860   125.44620
   25    24 S   HC   HB21    33     1.09498   109.78515    56.34560
   26    24 S   HC   HB22    34     1.09506   110.18467   175.44766
   27    22 S   N    _N3_    24     1.38320   113.74940    39.17035
   28    27 S   H    _HN3    25     1.01577   119.59819    -3.30523
   29    24 S   S    _SG2    35     1.82770   111.46441   -64.60498
   30    27 S   CT   _CA3    26     1.45285   123.21884   177.15325
   31    30 S   HC   HA31    27     1.09549   107.51260   -64.61577
   32    30 S   HC   HA32    28     1.09557   107.98504    51.82521
   33    29 S   CT   _C12    36     1.84290    99.95334  -173.36026
   34    33 S   HC   _H4_    37     1.09773   105.33327    53.79434
   35    30 S   CO3  _C3_    29     1.52962   114.07634   173.82787
   36    35 S   O2Z  _O31    30     1.26377   116.07113    -0.42933
   37    35 S   O2Z  _O32    31     1.26428   114.41141   179.62727
   38    33 S   CT   _C11    38     1.53952   108.47079   167.80507
   39    38 S   HC   _H15    39     1.09473   110.71807    58.57282
   40    38 S   HC   _H16    40     1.09563   107.92082   -57.23262
   41    38 S   CT   _C10    41     1.54866   111.69087  -177.52322
   42    41 S   HC   _H3_    42     1.10210   104.78370    54.76897
   43    41 S   CT   _C5_    43     1.57902   111.27770   -58.40550
   44    43 S   CT   _C6_    44     1.55877   108.02327   176.16406
   45    44 S   HC   _H9_    45     1.09610   110.36966   -67.76410
   46    44 S   HC   _H10    46     1.09701   110.16375   175.14974
   47    43 S   CT   _C14    62     1.58531   107.50728    56.87254
   48    43 S   CT   _C4_    73     1.55157   112.97372   -64.96962
   49    48 S   HC   _H6_    74     1.08976   113.18203    41.07143
   50    48 S   HC   _H7_    75     1.09022   113.01150   -79.74006
   51    48 S   HC   _H8_    76     1.09342   111.95506   162.81352
   52    44 S   CT   _C7_    47     1.52878   114.04975    52.57446
   53    52 S   HC   _H11    48     1.09382   111.35688    67.79812
   54    52 S   HC   _H12    49     1.09707   108.71090  -176.21168
   55    33 S   CT   _C13    63     1.54500   114.42679   -64.89768
   56    55 S   HC   _H5_    64     1.10056   106.73253    68.58890
   57    47 S   CO4  _C15    68     1.53320   113.17747   176.90256
   58    57 S   O    _O33    69     1.22899   123.86648  -106.30510
   59    57 S   HC   _H17    70     1.10150   116.60619    72.14329
   60    47 S   OH   _O34    71     1.44457   109.21240    61.79165
   61    60 S   HO   _H18    72     0.97303   108.53778    77.75157
   62    52 S   CT   _C8_    50     1.52283   111.72572   -56.11461
   63    62 S   HC   _H13    51     1.09762   108.98618   178.49260
   64    62 S   HC   _H14    52     1.09896   107.73628   -67.00788
   65    55 S   CO4  _C16    65     1.52057   112.80309   -45.66250
   66    65 S   O    _O35    66     1.22828   123.02226   145.06581
   67    65 S   HC   _H19    67     1.10128   116.91972   -37.37485
   68    41 S   CT   _C9_    53     1.57304   114.38719   167.25082
   69    68 S   CT   _C17    54     1.53993   114.45850    57.12839
   70    69 S   HC   _H20    55     1.09445   111.73609   -53.59299
   71    69 S   HC   _H21    56     1.09720   110.55943  -172.43078
   72    69 S   HC   _H22    57     1.08880   113.35188    68.84247
   73    68 S   CT   _C18    58     1.55287   109.81402   -62.08464
   74    73 S   HC   _H23    59     1.09454   112.05795    70.41362
   75    73 S   HC   _H24    60     1.09572   111.39786   -50.72086
   76    73 S   HC   _H25    61     1.09673   110.97968  -170.27065
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  15   6   5  26   8  23  17   7   6  16   8
   2   1   1   8   5   4   9   5   5   2   1   2   1  11   4   3
   2   1   1   8   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    47    55    56    65  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    68    47    55    56    65    66    67    57    60  
   38    39    40    41    47    55    56    65  
   36    37  
   37  
    0  
   39    40    41    42    43    44    62    68    69    73    47    55    56    65    48  
   40    41    42    43    68    55  
   41    42    43    68    55  
   42    43    44    45    46    52    62    63    64    68    69    70    71    72    73    74    75    76    47    55    57    60    48    49    50    51  
   43    44    62    68    69    73    47    48  
   44    45    46    52    53    54    62    68    69    73    47    55    56    65    57    58    59    60    61    48    49    50    51  
   45    46    52    53    54    62    63    64    68    47    55    57    60    48    49    50    51  
   46    52    53    54    62    47    48  
   52    53    54    62    47    48  
   55    56    65    66    67    57    58    59    60    61    48    49    50    51    52    68  
   49    50    51    52    55    57    60    68  
   50    51  
   51  
    0  
   53    54    62    63    64    68    69    73  
   54    62    63    64    68  
   62    63    64    68  
   56    65    66    67    57    58    59    60    61  
   65    66    67    57    60  
   58    59    60    61    65  
   59    60  
   60  
   61    65  
    0  
   63    64    68    69    70    71    72    73    74    75    76  
   64    68    69    73  
   68    69    73  
   66    67  
   67  
    0  
   69    70    71    72    73    74    75    76  
   70    71    72    73    74    75    76  
   71    72    73  
   72    73  
   73  
   74    75    76  
   75    76  
   76  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   59   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   67   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   268.000  1.529
   33    55   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    68   268.000  1.529
   43    44   268.000  1.529
   43    47   268.000  1.529
   43    48   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   268.000  1.529
   68    69   268.000  1.529
   68    73   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   47    55   268.000  1.529
   47    57   317.000  1.522
   47    60   320.000  1.410
   55    56   340.000  1.090
   55    65   317.000  1.522
   65    66   570.000  1.229
   65    67   340.000  1.090
   57    58   570.000  1.229
   57    59   340.000  1.090
   60    61   553.000  0.945
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  111.63000
   29    33    55    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    55    47    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    65    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    68    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    44    58.35000  112.70000
   41    43    47    58.35000  112.70000
   41    43    48    58.35000  112.70000
   41    68    62    58.35000  112.70000
   41    68    69    58.35000  112.70000
   41    68    73    58.35000  112.70000
   43    41    42    37.50000  110.70000
   43    44    45    37.50000  110.70000
   43    44    46    37.50000  110.70000
   43    44    52    58.35000  112.70000
   43    47    55    58.35000  112.70000
   43    47    57    63.00000  111.10000
   43    47    60    50.00000  109.50000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    51    37.50000  110.70000
   44    52    53    37.50000  110.70000
   44    52    54    37.50000  110.70000
   44    52    62    58.35000  112.70000
   46    44    45    33.00000  107.80000
   52    44    45    37.50000  110.70000
   52    44    46    37.50000  110.70000
   52    62    63    37.50000  110.70000
   52    62    64    37.50000  110.70000
   52    62    68    58.35000  112.70000
   54    52    53    33.00000  107.80000
   62    52    53    37.50000  110.70000
   62    52    54    37.50000  110.70000
   62    68    69    58.35000  112.70000
   62    68    73    58.35000  112.70000
   64    62    63    33.00000  107.80000
   68    41    42    37.50000  110.70000
   68    41    43    58.35000  112.70000
   68    62    63    37.50000  110.70000
   68    62    64    37.50000  110.70000
   68    69    70    37.50000  110.70000
   68    69    71    37.50000  110.70000
   68    69    72    37.50000  110.70000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    76    37.50000  110.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    68    69    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   47    43    44    58.35000  112.70000
   47    55    56    37.50000  110.70000
   47    55    65    63.00000  111.10000
   47    57    58    80.00000  120.40000
   47    57    59    35.00000  115.00000
   47    60    61    55.00000  108.50000
   55    33    34    37.50000  110.70000
   55    33    38    58.35000  112.70000
   55    65    66    80.00000  120.40000
   55    65    67    35.00000  115.00000
   65    55    56    35.00000  109.50000
   67    65    66    35.00000  123.00000
   57    47    55    63.00000  111.10000
   59    57    58    35.00000  123.00000
   60    47    55    50.00000  109.50000
   60    47    57    90.00000  109.61100
   48    43    44    58.35000  112.70000
   48    43    47    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    55    47   0.44750  1.0 1.0
   29    33    55    47  -0.17800 -1.0 2.0
   29    33    55    47   0.20200  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    65   0.56750  1.0 1.0
   29    33    55    65  -0.07550 -1.0 2.0
   29    33    55    65   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    68   0.56750  1.0 1.0
   33    38    41    68  -0.07550 -1.0 2.0
   33    38    41    68   0.20000  1.0 3.0
   33    55    65    66   0.30150 -1.0 2.0
   33    55    65    67   0.74550  1.0 1.0
   33    55    65    67  -0.00500 -1.0 2.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    55    47   0.15000  1.0 3.0
   34    33    55    56   0.15000  1.0 3.0
   34    33    55    65  -0.11250  1.0 3.0
   38    33    55    47   0.56750  1.0 1.0
   38    33    55    47  -0.07550 -1.0 2.0
   38    33    55    47   0.20000  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    65  -0.95700  1.0 1.0
   38    33    55    65  -0.18200 -1.0 2.0
   38    33    55    65   0.29450  1.0 3.0
   38    41    43    44   0.56750  1.0 1.0
   38    41    43    44  -0.07550 -1.0 2.0
   38    41    43    44   0.20000  1.0 3.0
   38    41   -43    47   0.56750  1.0 1.0
   38    41   -43    47  -0.07550 -1.0 2.0
   38    41   -43    47   0.20000  1.0 3.0
   38    41    43    48   0.56750  1.0 1.0
   38    41    43    48  -0.07550 -1.0 2.0
   38    41    43    48   0.20000  1.0 3.0
   38    41    68    62   0.56750  1.0 1.0
   38    41    68    62  -0.07550 -1.0 2.0
   38    41    68    62   0.20000  1.0 3.0
   38    41    68    69   0.56750  1.0 1.0
   38    41    68    69  -0.07550 -1.0 2.0
   38    41    68    69   0.20000  1.0 3.0
   38    41    68    73   0.56750  1.0 1.0
   38    41    68    73  -0.07550 -1.0 2.0
   38    41    68    73   0.20000  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    68   0.15000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    68   0.15000  1.0 3.0
   41    43    44    45   0.15000  1.0 3.0
   41    43    44    46   0.15000  1.0 3.0
   41    43    44    52   0.56750  1.0 1.0
   41    43    44    52  -0.07550 -1.0 2.0
   41    43    44    52   0.20000  1.0 3.0
   41    43    47    55   0.56750  1.0 1.0
   41    43    47    55  -0.07550 -1.0 2.0
   41    43    47    55   0.20000  1.0 3.0
   41    43    47    57  -0.95700  1.0 1.0
   41    43    47    57  -0.18200 -1.0 2.0
   41    43    47    57   0.29450  1.0 3.0
   41    43    47    60   0.86500  1.0 1.0
   41    43    47    60  -0.17500 -1.0 2.0
   41    43    47    60   0.20800  1.0 3.0
   41    43    48    49   0.15000  1.0 3.0
   41    43    48    50   0.15000  1.0 3.0
   41    43    48    51   0.15000  1.0 3.0
   41    68    69    70   0.15000  1.0 3.0
   41    68    69    71   0.15000  1.0 3.0
   41    68    69    72   0.15000  1.0 3.0
   41    68    73    74   0.15000  1.0 3.0
   41    68    73    75   0.15000  1.0 3.0
   41    68    73    76   0.15000  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    48   0.15000  1.0 3.0
   42    41    68    62   0.15000  1.0 3.0
   42    41    68    69   0.15000  1.0 3.0
   42    41    68    73   0.15000  1.0 3.0
   43    41    68    62   0.56750  1.0 1.0
   43    41    68    62  -0.07550 -1.0 2.0
   43    41    68    62   0.20000  1.0 3.0
   43    41    68    69   0.56750  1.0 1.0
   43    41    68    69  -0.07550 -1.0 2.0
   43    41    68    69   0.20000  1.0 3.0
   43    41    68    73   0.56750  1.0 1.0
   43    41    68    73  -0.07550 -1.0 2.0
   43    41    68    73   0.20000  1.0 3.0
   43    44    52    53   0.15000  1.0 3.0
   43    44    52    54   0.15000  1.0 3.0
   43    44   -52    62   0.56750  1.0 1.0
   43    44   -52    62  -0.07550 -1.0 2.0
   43    44   -52    62   0.20000  1.0 3.0
   43    47   -55    33   0.56750  1.0 1.0
   43    47   -55    33  -0.07550 -1.0 2.0
   43    47   -55    33   0.20000  1.0 3.0
   43    47    55    56   0.15000  1.0 3.0
   43    47    55    65  -0.95700  1.0 1.0
   43    47    55    65  -0.18200 -1.0 2.0
   43    47    55    65   0.29450  1.0 3.0
   43    47    57    58   0.30150 -1.0 2.0
   43    47    57    59   0.74550  1.0 1.0
   43    47    57    59  -0.00500 -1.0 2.0
   43    47    60    61  -0.11600  1.0 1.0
   43    47    60    61  -0.09450 -1.0 2.0
   43    47    60    61   0.21250  1.0 3.0
   44    43    47    55   0.56750  1.0 1.0
   44    43    47    55  -0.07550 -1.0 2.0
   44    43    47    55   0.20000  1.0 3.0
   44    43    47    57  -0.95700  1.0 1.0
   44    43    47    57  -0.18200 -1.0 2.0
   44    43    47    57   0.29450  1.0 3.0
   44    43    47    60   0.86500  1.0 1.0
   44    43    47    60  -0.17500 -1.0 2.0
   44    43    47    60   0.20800  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    51   0.15000  1.0 3.0
   44    52    62    63   0.15000  1.0 3.0
   44    52    62    64   0.15000  1.0 3.0
   44    52    62    68   0.56750  1.0 1.0
   44    52    62    68  -0.07550 -1.0 2.0
   44    52    62    68   0.20000  1.0 3.0
   45    44    52    53   0.15000  1.0 3.0
   45    44    52    54   0.15000  1.0 3.0
   45    44    52    62   0.15000  1.0 3.0
   46    44    52    53   0.15000  1.0 3.0
   46    44    52    54   0.15000  1.0 3.0
   46    44    52    62   0.15000  1.0 3.0
   52    62   -68    41   0.56750  1.0 1.0
   52    62   -68    41  -0.07550 -1.0 2.0
   52    62   -68    41   0.20000  1.0 3.0
   52    62    68    69   0.56750  1.0 1.0
   52    62    68    69  -0.07550 -1.0 2.0
   52    62    68    69   0.20000  1.0 3.0
   52    62    68    73   0.56750  1.0 1.0
   52    62    68    73  -0.07550 -1.0 2.0
   52    62    68    73   0.20000  1.0 3.0
   53    52    62    63   0.15000  1.0 3.0
   53    52    62    64   0.15000  1.0 3.0
   53    52    62    68   0.15000  1.0 3.0
   54    52    62    63   0.15000  1.0 3.0
   54    52    62    64   0.15000  1.0 3.0
   54    52    62    68   0.15000  1.0 3.0
   62    68    69    70   0.15000  1.0 3.0
   62    68    69    71   0.15000  1.0 3.0
   62    68    69    72   0.15000  1.0 3.0
   62    68    73    74   0.15000  1.0 3.0
   62    68    73    75   0.15000  1.0 3.0
   62    68    73    76   0.15000  1.0 3.0
   63    62    68    41   0.15000  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    73   0.15000  1.0 3.0
   64    62    68    41   0.15000  1.0 3.0
   64    62    68    69   0.15000  1.0 3.0
   64    62    68    73   0.15000  1.0 3.0
   68    41   -43    44   0.56750  1.0 1.0
   68    41   -43    44  -0.07550 -1.0 2.0
   68    41   -43    44   0.20000  1.0 3.0
   68    41    43    47   0.56750  1.0 1.0
   68    41    43    47  -0.07550 -1.0 2.0
   68    41    43    47   0.20000  1.0 3.0
   68    41    43    48   0.56750  1.0 1.0
   68    41    43    48  -0.07550 -1.0 2.0
   68    41    43    48   0.20000  1.0 3.0
   69    68    73    74   0.15000  1.0 3.0
   69    68    73    75   0.15000  1.0 3.0
   69    68    73    76   0.15000  1.0 3.0
   73    68    69    70   0.15000  1.0 3.0
   73    68    69    71   0.15000  1.0 3.0
   73    68    69    72   0.15000  1.0 3.0
   47    43    44    45   0.15000  1.0 3.0
   47    43    44    46   0.15000  1.0 3.0
   47    43    44    52   0.56750  1.0 1.0
   47    43    44    52  -0.07550 -1.0 2.0
   47    43    44    52   0.20000  1.0 3.0
   47    43    48    49   0.15000  1.0 3.0
   47    43    48    50   0.15000  1.0 3.0
   47    43    48    51   0.15000  1.0 3.0
   47    55    65    66   0.30150 -1.0 2.0
   47    55    65    67   0.74550  1.0 1.0
   47    55    65    67  -0.00500 -1.0 2.0
   55    33    38    39   0.15000  1.0 3.0
   55    33    38    40   0.15000  1.0 3.0
   55    33   -38    41   0.56750  1.0 1.0
   55    33   -38    41  -0.07550 -1.0 2.0
   55    33   -38    41   0.20000  1.0 3.0
   55    47    57    58   0.30150 -1.0 2.0
   55    47    57    59   0.74550  1.0 1.0
   55    47    57    59  -0.00500 -1.0 2.0
   55    47    60    61  -0.11600  1.0 1.0
   55    47    60    61  -0.09450 -1.0 2.0
   55    47    60    61   0.21250  1.0 3.0
   56    55    65    66   0.00000  1.0 1.0
   56    55    65    67   0.00000  1.0 1.0
   57    47    55    33  -0.95700  1.0 1.0
   57    47    55    33  -0.18200 -1.0 2.0
   57    47    55    33   0.29450  1.0 3.0
   57    47    55    56  -0.11250  1.0 3.0
   57    47    55    65   0.11950  1.0 1.0
   57    47    55    65   0.20300 -1.0 2.0
   57    47    55    65  -0.70800  1.0 3.0
   57    47    60    61   0.91850  1.0 1.0
   57    47    60    61   0.57950  1.0 3.0
   60    47    55    33   0.86500  1.0 1.0
   60    47    55    33  -0.17500 -1.0 2.0
   60    47    55    33   0.20800  1.0 3.0
   60    47    55    56   0.23400  1.0 3.0
   60    47    55    65  -0.09450  1.0 1.0
   60    47    55    65  -1.12950 -1.0 2.0
   60    47    55    65   0.54000  1.0 3.0
   60    47    57    58   0.30150 -1.0 2.0
   60    47    57    59   0.00000  1.0 1.0
   48    43    44    45   0.15000  1.0 3.0
   48    43    44    46   0.15000  1.0 3.0
   48    43    44    52   0.56750  1.0 1.0
   48    43    44    52  -0.07550 -1.0 2.0
   48    43    44    52   0.20000  1.0 3.0
   48    43    47    55   0.56750  1.0 1.0
   48    43    47    55  -0.07550 -1.0 2.0
   48    43    47    55   0.20000  1.0 3.0
   48    43    47    57  -0.95700  1.0 1.0
   48    43    47    57  -0.18200 -1.0 2.0
   48    43    47    57   0.29450  1.0 3.0
   48    43    47    60   0.86500  1.0 1.0
   48    43    47    60  -0.17500 -1.0 2.0
   48    43    47    60   0.20800  1.0 3.0
IPHI
    8     5     7     9  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    35    37  10.50000 -1.0 2.0
   55    67    65    66  10.50000 -1.0 2.0
   47    59    57    58  10.50000 -1.0 2.0
END
