* LIGAND DATABASE FILE (OPLS2005)
*
001      80    79    141    198     406
    1     0 S   NP   _N1_     1    28.62835    97.99315   -24.00854
    2     1 S   H    _HN1     2     1.02840    39.03915   164.50303
    3     1 S   H    _H1_     3     1.02776   111.90606  -103.79878
    4     1 S   H    _H2_     4     1.02959    69.01132    -1.73900
    5     1 S   CT   _CA1     5     1.50135   133.05635    97.01656
    6     5 S   HC   _HA1     6     1.09575   105.21303    97.67987
    7     5 S   CO3  _C1_     7     1.53780   112.35817   -22.50587
    8     7 S   O2Z  _O11     8     1.26364   114.98672   -43.78964
    9     7 S   O2Z  _O12     9     1.26233   114.92933   135.29510
   10     5 S   CT   _CB1    10     1.53102   107.43010  -144.41146
   11    10 S   HC   HB11    11     1.09828   109.32119   -50.51189
   12    10 S   HC   HB12    12     1.09816   110.42743    66.03337
   13    10 S   CT   _CG1    13     1.53028   112.69222  -171.58756
   14    13 S   HC   HG11    14     1.09591   110.50460   -64.55449
   15    13 S   HC   HG12    15     1.09654   109.92481    54.66761
   16    13 S   C    _CD1    16     1.51813   112.28217   175.02657
   17    16 S   O    _OE1    17     1.22784   123.36225     0.63056
   18    16 S   N    _N2_    18     1.38644   111.81935  -179.30620
   19    18 S   H    _HN2    19     1.01600   119.11214     3.90360
   20    18 S   CT1  _CA2    20     1.45624   122.50685   178.20006
   21    20 S   HC   _HA2    21     1.09647   109.67183    23.07240
   22    20 S   C    _C2_    22     1.52627   105.66642   -94.40571
   23    22 S   O    _O2_    23     1.22943   122.43050   -81.92766
   24    20 S   CT   _CB2    32     1.53087   112.04772   146.06908
   25    24 S   HC   HB21    33     1.09568   111.17974    46.08118
   26    24 S   HC   HB22    34     1.09569   109.63600   165.66768
   27    22 S   N    _N3_    24     1.38515   112.74777    95.13227
   28    27 S   H    _HN3    25     1.01514   119.64483    -1.46900
   29    24 S   S    _SG2    35     1.82390   110.78143   -75.18831
   30    27 S   CT   _CA3    26     1.45394   122.82820   174.85715
   31    30 S   HC   HA31    27     1.09537   108.84634    33.59147
   32    30 S   HC   HA32    28     1.09472   107.17380   150.83252
   33    29 S   CT   _C6_    36     1.83602    99.04737  -176.90225
   34    33 S   HC   _H3_    37     1.09581   107.73005    29.39052
   35    30 S   CO3  _C3_    29     1.53162   113.87331   -89.01171
   36    35 S   O2Z  _O31    30     1.26461   116.17220   -21.00007
   37    35 S   O2Z  _O32    31     1.26390   114.57885   159.60476
   38    33 S   CO4  _C5_    38     1.51812   110.12291   -88.29766
   39    38 S   O    _O34    39     1.22358   125.94444   -20.94420
   40    33 S   CT   _C7_    45     1.53087   109.77182   150.03047
   41    40 S   HC   _H9_    46     1.09718   110.95685    52.51279
   42    40 S   HC   _H10    47     1.09753   110.30073   169.99311
   43    38 S   OS   _O33    40     1.36826   108.92133   159.90905
   44    40 S   C    _C8_    48     1.51961   111.78571   -72.01840
   45    44 S   O    _O35    49     1.22918   122.38527   -34.55948
   46    43 S   CT   _C4_    41     1.43077   115.29517   179.55413
   47    46 S   HC   _H6_    42     1.09327   108.09871   179.69868
   48    46 S   HC   _H7_    43     1.09421   110.29717    61.00727
   49    46 S   HC   _H8_    44     1.09419   110.26644   -61.62523
   50    44 S   N    _N4_    50     1.38324   112.75383   145.99267
   51    50 S   H    _H11    51     1.01573   119.95512     0.56058
   52    50 S   CT   _C9_    52     1.45592   122.94164  -175.38866
   53    52 S   HC   _H12    53     1.09588   108.65596   -28.46468
   54    52 S   HC   _H13    54     1.09518   106.97129  -144.30581
   55    52 S   CT1  _C10    55     1.53496   112.12860    93.68179
   56    55 S   HC   _H4_    56     1.09807   107.43079  -178.25191
   57    55 S   CO3  _C11    57     1.54747   113.97434    65.00888
   58    57 S   O2Z  _O37    58     1.26266   116.27732    17.67494
   59    57 S   O2Z  _O36    59     1.26605   114.73935  -162.93516
   60    55 S   N    _N5_    60     1.46677   110.78041   -61.75167
   61    60 S   H    _H14    61     1.01561   116.59156    96.78345
   62    60 S   C    _C12    62     1.38283   123.55011   -81.65946
   63    62 S   O    _O38    63     1.22936   124.83082     0.52227
   64    62 S   CT1  _C13    64     1.52388   112.92128  -179.87489
   65    64 S   HC   _H5_    65     1.09546   108.29065   -57.75610
   66    64 S   CTG  _C14    66     1.53520   113.07816    63.89954
   67    66 S   HC   _H15    67     1.09585   108.35090   -64.04976
   68    66 S   HC   _H16    68     1.09688   108.84779  -179.03086
   69    64 S   NP   _N6_    77     1.49103   110.49149  -172.50891
   70    69 S   H    _H22    78     1.03574   111.74750  -179.06226
   71    69 S   H    _H23    79     1.02838   110.97396    61.70838
   72    69 S   H    _H24    80     1.02778   112.28937   -57.96544
   73    66 S   CT   _C15    69     1.53034   114.14614    58.73394
   74    73 S   HC   _H17    70     1.09435   110.13417    63.74806
   75    73 S   HC   _H18    71     1.09425   111.87378   -55.60175
   76    73 S   S    _S1_    72     1.82421   111.68683  -177.72566
   77    76 S   CT   _C16    73     1.81157    99.53770    75.13112
   78    77 S   HC   _H19    74     1.09339   108.92860   173.67157
   79    77 S   HC   _H20    75     1.09304   110.53045    54.69963
   80    77 S   HC   _H21    76     1.09232   110.92287   -67.39210
  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
  11   7   2   1   1  10   3   8   4   3   4   7   3   3   2   1
   1   8   4  10   5   4   9   6   5   2   1   7   3  11   4  12
   8  11   6   5   4   2   1   1   7   3   2   4   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    46    40    41    42    44    45    50  
   38    39    43    40    41    42    44  
   36    37  
   37  
    0  
   39    43    46    47    48    49    40    41    42    44  
   43    46    40  
   41    42    44    45    50    51    52    43  
   42    44    45    50  
   44    45    50  
   46    47    48    49  
   45    50    51    52    53    54    55  
   50    51    52  
   47    48    49  
   48    49  
   49  
    0  
   51    52    53    54    55    56    57    60  
   52    53    54    55  
   53    54    55    56    57    58    59    60    61    62  
   54    55    56    57    60  
   55    56    57    60  
   56    57    58    59    60    61    62    63    64  
   57    58    59    60    61    62  
   58    59    60    61    62  
   59    60  
   60  
   61    62    63    64    65    66    69  
   62    63    64  
   63    64    65    66    67    68    73    69    70    71    72  
   64    65    66    69  
   65    66    67    68    73    74    75    76    69    70    71    72  
   66    67    68    73    69    70    71    72  
   67    68    73    74    75    76    77    69    70    71    72  
   68    73    74    75    76    69  
   73    74    75    76    69  
   70    71    72    73  
   71    72  
   72  
    0  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77    78    79    80  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   51   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   52   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   60   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   61   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   62   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   64   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   70   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   71   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   72   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   77   3.5000   0.0660  -0.012500   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    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   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    43   214.000  1.327
   43    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   317.000  1.522
   44    45   570.000  1.229
   44    50   490.000  1.335
   50    51   434.000  1.010
   50    52   337.000  1.449
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   317.000  1.522
   55    60   337.000  1.449
   57    58   656.000  1.250
   57    59   656.000  1.250
   60    61   434.000  1.010
   60    62   490.000  1.335
   62    63   570.000  1.229
   62    64   317.000  1.522
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    69   367.000  1.471
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   222.000  1.810
   76    77   222.000  1.810
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   69    70   434.000  1.010
   69    71   434.000  1.010
   69    72   434.000  1.010
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  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    43    81.00000  111.40000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    43    46    83.00000  116.90000
   43    38    39    83.00000  123.40000
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    44    45    80.00000  120.40000
   40    44    50    70.00000  116.60000
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    50    51    35.00000  119.80000
   44    50    52    50.00000  121.90000
   50    44    45    80.00000  122.90000
   50    52    53    35.00000  109.50000
   50    52    54    35.00000  109.50000
   50    52    55    70.00000  110.72300
   52    50    51    38.00000  118.40000
   52    55    56    37.50000  110.70000
   52    55    57    63.00000  111.10000
   52    55    60    80.00000  109.70000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    57    58    70.00000  117.00000
   55    57    59    70.00000  117.00000
   55    60    61    38.00000  118.40000
   55    60    62    50.00000  121.90000
   57    55    56    35.00000  109.50000
   59    57    58    80.00000  126.00000
   60    55    56    35.00000  109.50000
   60    55    57    63.00000  110.10000
   60    62    63    80.00000  122.90000
   60    62    64    70.00000  116.60000
   62    60    61    35.00000  119.80000
   62    64    65    35.00000  109.50000
   62    64    66    63.00000  111.10000
   62    64    69    80.00000  111.20000
   64    62    63    80.00000  120.40000
   64    66    67    37.50000  110.70000
   64    66    68    37.50000  110.70000
   64    66    73    58.35000  112.70000
   64    69    70    35.00000  109.50000
   64    69    71    35.00000  109.50000
   64    69    72    35.00000  109.50000
   66    64    65    37.50000  110.70000
   66    73    74    37.50000  110.70000
   66    73    75    37.50000  110.70000
   66    73    76    50.00000  114.70000
   68    66    67    33.00000  107.80000
   73    66    67    37.50000  110.70000
   73    66    68    37.50000  110.70000
   73    76    77    62.00000   98.90000
   75    73    74    33.00000  107.80000
   76    73    74    35.00000  109.50000
   76    73    75    35.00000  109.50000
   76    77    78    35.00000  109.50000
   76    77    79    35.00000  109.50000
   76    77    80    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   69    64    65    35.00000  109.50000
   69    64    66    80.00000  111.20000
   71    69    70    35.00000  109.50000
   72    69    70    35.00000  109.50000
   72    69    71    35.00000  109.50000
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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.30150 -1.0 2.0
   29    33    38    43   0.40000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    43    46   1.63150  1.0 1.0
   33    38    43    46   2.92000 -1.0 2.0
   33    40    44    45   0.30150 -1.0 2.0
   33    40    44    50   1.39750  1.0 1.0
   33    40    44    50  -0.07950 -1.0 2.0
   33    40    44    50  -0.18750  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    44  -0.11250  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    42  -0.11250  1.0 3.0
   38    33    40    44   0.11950  1.0 1.0
   38    33    40    44   0.20300 -1.0 2.0
   38    33    40    44  -0.70800  1.0 3.0
   38    43    46    47   0.08050  1.0 3.0
   38    43    46    48   0.08050  1.0 3.0
   38    43    46    49   0.08050  1.0 3.0
   39    38    43    46   3.00000 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33    38    43   0.36750  1.0 3.0
   40    44    50    51   2.45000 -1.0 2.0
   40    44    50    52   1.49850  1.0 1.0
   40    44    50    52   1.53950 -1.0 2.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    50   0.00000  1.0 1.0
   42    40    44    45   0.00000  1.0 1.0
   42    40    44    50   0.00000  1.0 1.0
   44    50    52    53   0.00000  1.0 1.0
   44    50    52    54   0.00000  1.0 1.0
   44    50    52    55  -0.43950  1.0 1.0
   44    50    52    55  -0.08100 -1.0 2.0
   44    50    52    55   0.03350  1.0 3.0
   45    44    50    51   2.45000 -1.0 2.0
   45    44    50    52   3.04450 -1.0 2.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    57  -4.61400  1.0 1.0
   50    52    55    60   2.20050  1.0 1.0
   50    52    55    60   0.63450 -1.0 2.0
   50    52    55    60  -0.91300  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    52    55   0.00000  1.0 1.0
   52    55    57    58   0.00000  1.0 1.0
   52    55    57    59   0.00000  1.0 1.0
   52    55    60    61   0.00000  1.0 1.0
   52    55    60    62   0.25950  1.0 1.0
   52    55    60    62   0.43850 -1.0 2.0
   52    55    60    62   2.61650  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57  -0.03800  1.0 3.0
   53    52    55    60   0.23200  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57  -0.03800  1.0 3.0
   54    52    55    60   0.23200  1.0 3.0
   55    60    62    63   3.04450 -1.0 2.0
   55    60    62    64   1.15000  1.0 1.0
   55    60    62    64   3.04450 -1.0 2.0
   56    55    57    58   0.00000  1.0 1.0
   56    55    57    59   0.00000  1.0 1.0
   56    55    60    61   0.00000  1.0 1.0
   56    55    60    62   0.00000  1.0 1.0
   57    55    60    61   0.00000  1.0 1.0
   57    55    60    62  -0.29800  1.0 1.0
   57    55    60    62   0.13950 -1.0 2.0
   57    55    60    62  -2.45650  1.0 3.0
   60    55    57    58   0.00000  1.0 1.0
   60    55    57    59   0.00000  1.0 1.0
   60    62    64    65   0.00000  1.0 1.0
   60    62    64    66   0.93250  1.0 1.0
   60    62    64    66   0.04450 -1.0 2.0
   60    62    64    66   0.17550  1.0 3.0
   60    62    64    69   0.37150  1.0 1.0
   60    62    64    69   1.25400 -1.0 2.0
   60    62    64    69  -0.40250  1.0 3.0
   61    60    62    63   2.45000 -1.0 2.0
   61    60    62    64   2.45000 -1.0 2.0
   62    64    66    67  -0.03800  1.0 3.0
   62    64    66    68  -0.03800  1.0 3.0
   62    64    66    73   0.19200  1.0 1.0
   62    64    66    73  -0.38100 -1.0 2.0
   62    64    69    70   0.17350  1.0 3.0
   62    64    69    71   0.17350  1.0 3.0
   62    64    69    72   0.17350  1.0 3.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    66   0.00000  1.0 1.0
   63    62    64    69   0.00000  1.0 1.0
   64    66    73    74   0.15000  1.0 3.0
   64    66    73    75   0.15000  1.0 3.0
   64    66    73    76   1.30950  1.0 1.0
   64    66    73    76  -0.31000 -1.0 2.0
   64    66    73    76   0.12900  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68   0.15000  1.0 3.0
   65    64    66    73   0.15000  1.0 3.0
   65    64    69    70   0.13050  1.0 3.0
   65    64    69    71   0.13050  1.0 3.0
   65    64    69    72   0.13050  1.0 3.0
   66    64    69    70   0.17350  1.0 3.0
   66    64    69    71   0.17350  1.0 3.0
   66    64    69    72   0.17350  1.0 3.0
   66    73    76    77   0.46250  1.0 1.0
   66    73    76    77  -0.28800 -1.0 2.0
   66    73    76    77   0.33850  1.0 3.0
   67    66    73    74   0.15000  1.0 3.0
   67    66    73    75   0.15000  1.0 3.0
   67    66    73    76   0.22600  1.0 3.0
   68    66    73    74   0.15000  1.0 3.0
   68    66    73    75   0.15000  1.0 3.0
   68    66    73    76   0.22600  1.0 3.0
   73    76    77    78   0.32350  1.0 3.0
   73    76    77    79   0.32350  1.0 3.0
   73    76    77    80   0.32350  1.0 3.0
   74    73    76    77   0.32350  1.0 3.0
   75    73    76    77   0.32350  1.0 3.0
   69    64    66    67   0.23200  1.0 3.0
   69    64    66    68   0.23200  1.0 3.0
   69    64    66    73   0.74650  1.0 1.0
   69    64    66    73   0.09950 -1.0 2.0
   69    64    66    73  -0.04900  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
   33    43    38    39  10.50000 -1.0 2.0
   40    50    44    45  10.50000 -1.0 2.0
   51    44    50    52   1.00000 -1.0 2.0
   58    55    57    59  10.50000 -1.0 2.0
   61    62    60    55   1.00000 -1.0 2.0
   60    64    62    63  10.50000 -1.0 2.0
END
