* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    146    233     433
    1     0 S   NP   _N1_     1    29.36844    94.10004   -24.47339
    2     1 S   H    _HN1     2     1.02825    19.94357   144.70319
    3     1 S   H    _H1_     3     1.02793   108.07510  -122.47515
    4     1 S   H    _H2_     4     1.02940    88.52561   -13.56482
    5     1 S   CT   _CA1     5     1.50151   125.98316   100.77883
    6     5 S   HC   _HA1     6     1.09562   105.12832    73.87135
    7     5 S   CO3  _C1_     7     1.53809   112.60671   -46.30297
    8     7 S   O2Z  _O11     8     1.26390   114.98849   -36.67208
    9     7 S   O2Z  _O12     9     1.26232   115.01121   142.35217
   10     5 S   CT   _CB1    10     1.53050   107.39816  -167.98612
   11    10 S   HC   HB11    11     1.09842   109.50348   -47.20816
   12    10 S   HC   HB12    12     1.09770   110.33087    69.35918
   13    10 S   CT   _CG1    13     1.53009   112.66794  -168.02541
   14    13 S   HC   HG11    14     1.09549   110.85260   -66.72233
   15    13 S   HC   HG12    15     1.09648   109.63866    52.54977
   16    13 S   C    _CD1    16     1.51742   111.84314   173.36144
   17    16 S   O    _OE1    17     1.22776   123.06788    18.06739
   18    16 S   N    _N2_    18     1.38672   112.01133  -162.59152
   19    18 S   H    _HN2    19     1.01553   119.15113     2.59473
   20    18 S   CT1  _CA2    20     1.46106   123.23496   179.72234
   21    20 S   HC   _HA2    21     1.09581   109.01861     9.03914
   22    20 S   C    _C2_    22     1.53650   109.63792  -106.20320
   23    22 S   O    _O2_    23     1.23103   122.01371  -151.68836
   24    20 S   CT   _CB2    32     1.53502   111.90478   131.01699
   25    24 S   HC   HB21    33     1.09662   109.52836    69.57336
   26    24 S   HC   HB22    34     1.09580   110.68583  -173.32609
   27    22 S   N    _N3_    24     1.38240   114.03965    35.73376
   28    27 S   H    _HN3    25     1.01538   119.62266    -3.24570
   29    24 S   S    _SG2    35     1.82730   115.00295   -49.88322
   30    27 S   CT   _CA3    26     1.45284   123.32018   177.15772
   31    30 S   HC   HA31    27     1.09548   107.52826   -64.44173
   32    30 S   HC   HA32    28     1.09554   107.98507    52.02263
   33    29 S   CT   _C14    36     1.82584   100.23646   -64.72868
   34    33 S   HC   _H18    37     1.09444   107.98961   -66.97087
   35    33 S   HC   _H19    38     1.09341   110.32664    49.15511
   36    30 S   CO3  _C3_    29     1.52986   114.01367   174.01319
   37    36 S   O2Z  _O31    30     1.26392   116.06412    -0.36957
   38    36 S   O2Z  _O32    31     1.26421   114.42491   179.68410
   39    33 S   CM   _C13    39     1.51983   109.95996   170.19986
   40    39 S   CA   _C15    40     1.48752   114.06794   -77.11218
   41    39 S   CMA  _C12    51     1.36609   124.22486   106.37449
   42    41 S   OM   _O34    52     1.26927   125.14554    -3.23241
   43    40 S   CA   _C16    41     1.40252   120.53862   109.84464
   44    43 S   HA   _H20    42     1.08756   120.42697     0.17132
   45    41 S   OS   _O33    53     1.41931   111.99839   178.47929
   46    43 S   CA   _C17    43     1.39563   120.35806  -179.50268
   47    46 S   HA   _H21    44     1.08624   119.97579   179.64064
   48    45 S   CT   _C10    54     1.43592   115.77653  -134.69195
   49    48 S   HC   _H15    55     1.09743   110.10454   -49.49286
   50    46 S   CA   _C18    45     1.39357   120.05750    -0.21670
   51    50 S   HA   _H22    46     1.08627   119.95797   179.88809
   52    48 S   CT   _C11    56     1.54075   107.05606  -165.74640
   53    52 S   HC   _H16    57     1.09732   108.93027    73.70382
   54    52 S   HC   _H17    58     1.09859   109.64830   -41.16646
   55    48 S   CT   _C9_    69     1.54178   110.93337    72.41461
   56    55 S   HC   _H13    70     1.09786   109.62982    39.07173
   57    55 S   HC   _H14    71     1.09680   109.44540   -76.33099
   58    50 S   CA   _C19    47     1.39362   120.01580     0.07133
   59    58 S   HA   _H23    48     1.08616   119.96993   179.75934
   60    52 S   CT   _C5_    59     1.53417   112.94276  -163.75377
   61    60 S   HC   _H3_    60     1.09461   111.33718   178.57344
   62    40 S   CA   _C20    49     1.40168   120.32420   -69.88509
   63    62 S   HA   _H24    50     1.08737   120.57545    -0.39909
   64    60 S   CT   _C6_    61     1.52978   112.95371   -52.25513
   65    64 S   HC   _H9_    62     1.09496   112.50299   -35.54009
   66    64 S   HC   _H10    63     1.09652   110.25370  -154.76206
   67    64 S   CT   _C7_    64     1.53266   105.61799    87.09573
   68    67 S   HC   _H11    65     1.09652   109.45766   118.85958
   69    67 S   HC   _H12    66     1.09498   112.11815  -122.67953
   70    67 S   CT   _C8_    67     1.52987   105.62534     0.15577
   71    70 S   HC   _H4_    68     1.09466   113.56930   144.64419
   72    60 S   NP   _N4_    72     1.51673   106.19361    59.84709
   73    72 S   H    _H8_    73     1.02995   109.52773    40.73768
   74    72 S   CT   _C4_    74     1.49966   114.91253   159.93217
   75    74 S   HC   _H5_    75     1.09221   109.82535    58.95819
   76    74 S   HC   _H6_    76     1.09297   107.68429   179.67675
   77    74 S   HC   _H7_    77     1.09294   107.68382   -61.76764
  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   6   5   4   3
   9   4   3   2   1   1  11  12   8   2   8   4  10   6   3  14
   8   5   3  15   6   5  12   5   4   3   2  15   8   1   1  10
   6   5   7   4   3   7   3   5   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    43    62    41    42    45  
   35    39    40    41  
   39    40    41  
   37    38  
   38  
    0  
   40    43    44    46    58    62    63    41    42    45    48  
   43    44    46    47    50    58    59    62    63    41    42    45  
   42    45    48    49    52    55    43    62  
   45    48  
   44    46    47    50    51    58    62    63  
   46    47    50    62  
   48    49    52    53    54    60    70    55    56    57  
   47    50    51    58    59    62  
   50    51    58  
   49    52    53    54    60    61    64    67    70    71    55    56    57    72  
   52    53    54    60    70    55    56    57  
   51    58    59    62    63  
   58    59    62  
   53    54    60    61    64    65    66    67    70    55    56    57    72    73    74  
   54    60    61    64    55    72  
   60    61    64    55    72  
   56    57    72    73    74    60    64    67    68    69    70    71  
   57    72    67    70    71  
   72    67    70    71  
   59    62    63  
   62    63  
   61    64    65    66    67    68    69    70    71    72    73    74    75    76    77  
   64    65    66    67    70    72    73    74  
   63  
    0  
   65    66    67    68    69    70    71    72    73    74  
   66    67    68    69    70    72  
   67    68    69    70    72  
   68    69    70    71    72    73    74  
   69    70    71    72  
   70    71    72  
   71    72    73    74    75    76    77  
   72    73    74  
   73    74    75    76    77  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   73   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   320.000  1.460
   39    41   465.000  1.376
   40    43   469.000  1.400
   40    62   469.000  1.400
   43    44   367.000  1.080
   43    46   469.000  1.400
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    51   367.000  1.080
   50    58   469.000  1.400
   58    59   367.000  1.080
   58    62   469.000  1.400
   62    63   367.000  1.080
   41    42   745.000  1.250
   41    45   440.000  1.360
   45    48   320.000  1.410
   48    49   340.000  1.090
   48    52   268.000  1.529
   48    55   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    60   268.000  1.529
   60    61   340.000  1.090
   60    64   268.000  1.529
   60    72   367.000  1.471
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   340.000  1.090
   70    55   268.000  1.529
   70    72   367.000  1.471
   55    56   340.000  1.090
   55    57   340.000  1.090
   72    73   434.000  1.010
   72    74   367.000  1.471
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    65.00000  118.87000
   33    39    41    70.00000  124.00000
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    43    60.00000  120.93500
   39    40    62    60.00000  120.93500
   39    41    42    65.00000  137.10300
   39    41    45    80.00000  120.01400
   40    43    44    35.00000  120.00000
   40    43    46    63.00000  120.00000
   40    62    58    63.00000  120.00000
   40    62    63    35.00000  120.00000
   43    46    47    35.00000  120.00000
   43    46    50    63.00000  120.00000
   46    43    44    35.00000  120.00000
   46    50    51    35.00000  120.00000
   46    50    58    63.00000  120.00000
   50    46    47    35.00000  120.00000
   50    58    59    35.00000  120.00000
   50    58    62    63.00000  120.00000
   58    50    51    35.00000  120.00000
   58    62    63    35.00000  120.00000
   62    40    43    63.00000  120.00000
   62    58    59    35.00000  120.00000
   41    39    40    60.00000  123.20500
   41    45    48    90.00000  111.18400
   45    41    42    65.00000  121.00000
   45    48    49    35.00000  109.50000
   45    48    52    50.00000  109.50000
   45    48    55    50.00000  109.50000
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   48    52    60    58.35000  112.70000
   48    55    70    58.35000  112.70000
   48    55    56    37.50000  110.70000
   48    55    57    37.50000  110.70000
   52    48    49    37.50000  110.70000
   52    60    61    37.50000  110.70000
   52    60    64    58.35000  112.70000
   52    60    72    80.00000  111.20000
   54    52    53    33.00000  107.80000
   60    52    53    37.50000  110.70000
   60    52    54    37.50000  110.70000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    67    58.35000  112.70000
   60    72    70    75.00000  113.01200
   60    72    73    35.00000  109.50000
   60    72    74    75.00000  113.01200
   64    60    61    37.50000  110.70000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    55    58.35000  112.70000
   67    70    72    80.00000  111.20000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    55    56    37.50000  110.70000
   70    55    57    37.50000  110.70000
   70    72    73    35.00000  109.50000
   70    72    74    75.00000  113.01200
   55    48    49    37.50000  110.70000
   55    48    52    58.35000  112.70000
   55    70    71    37.50000  110.70000
   57    55    56    33.00000  107.80000
   72    60    61    35.00000  109.50000
   72    60    64    80.00000  111.20000
   72    70    71    35.00000  109.50000
   72    70    55    80.00000  111.20000
   72    74    75    35.00000  109.50000
   72    74    76    35.00000  109.50000
   72    74    77    35.00000  109.50000
   74    72    73    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.09700  1.0 1.0
   29    33    39    40   0.15600 -1.0 2.0
   29    33    39    40  -0.50800  1.0 3.0
   29    33    39    41   0.42700  1.0 1.0
   29    33    39    41  -0.70350 -1.0 2.0
   29    33    39    41  -0.43150  1.0 3.0
   33    39    40    43  -0.02500  1.0 1.0
   33    39    40    43  -0.32150 -1.0 2.0
   33    39    40    43  -0.01500  1.0 3.0
   33    39    40    62  -0.02500  1.0 1.0
   33    39    40    62  -0.32150 -1.0 2.0
   33    39    40    62  -0.01500  1.0 3.0
   33    39    41    42   7.00000 -1.0 2.0
   33    39    41    45   7.00000 -1.0 2.0
   34    33    39    40   0.77000  1.0 3.0
   34    33    39    41   0.00000  1.0 1.0
   35    33    39    40   0.77000  1.0 3.0
   35    33    39    41   0.00000  1.0 1.0
   39    40    43    44   3.62500 -1.0 2.0
   39    40    43    46   3.62500 -1.0 2.0
   39    40    62    58   3.62500 -1.0 2.0
   39    40    62    63   3.62500 -1.0 2.0
   39    41    45    48  -2.26850  1.0 1.0
   39    41    45    48   3.39050 -1.0 2.0
   40    39    41    42   7.00000 -1.0 2.0
   40    39    41    45   7.00000 -1.0 2.0
   40    43    46    47   3.62500 -1.0 2.0
   40    43    46    50   3.62500 -1.0 2.0
   43    40    62    58   3.62500 -1.0 2.0
   43    40    62    63   3.62500 -1.0 2.0
   43    46    50    51   3.62500 -1.0 2.0
   43    46   -50    58   3.62500 -1.0 2.0
   44    43    46    47   3.62500 -1.0 2.0
   44    43    46    50   3.62500 -1.0 2.0
   46    50    58    59   3.62500 -1.0 2.0
   46    50    58    62   3.62500 -1.0 2.0
   47    46    50    51   3.62500 -1.0 2.0
   47    46    50    58   3.62500 -1.0 2.0
   50    58   -62    40   3.62500 -1.0 2.0
   50    58    62    63   3.62500 -1.0 2.0
   51    50    58    59   3.62500 -1.0 2.0
   51    50    58    62   3.62500 -1.0 2.0
   59    58    62    40   3.62500 -1.0 2.0
   59    58    62    63   3.62500 -1.0 2.0
   62    40    43    44   3.62500 -1.0 2.0
   62    40   -43    46   3.62500 -1.0 2.0
   41    39    40    43   0.15800  1.0 1.0
   41    39    40    43   1.85350 -1.0 2.0
   41    39    40    43  -0.48700  1.0 3.0
   41    39    40    62   0.15800  1.0 1.0
   41    39    40    62   1.85350 -1.0 2.0
   41    39    40    62  -0.48700  1.0 3.0
   41    45    48    49   0.08050  1.0 3.0
   41    45    48    52  -0.46850  1.0 1.0
   41    45    48    52   0.09300 -1.0 2.0
   41    45    48    52  -0.12850  1.0 3.0
   41    45    48    55  -0.46850  1.0 1.0
   41    45    48    55   0.09300 -1.0 2.0
   41    45    48    55  -0.12850  1.0 3.0
   42    41    45    48   2.00000 -1.0 2.0
   45    48    52    53   0.23400  1.0 3.0
   45    48    52    54   0.23400  1.0 3.0
   45    48    52    60   0.62750  1.0 1.0
   45    48    52    60  -0.30950 -1.0 2.0
   45    48    52    60   0.27300  1.0 3.0
   45    48    55    70   0.62750  1.0 1.0
   45    48    55    70  -0.30950 -1.0 2.0
   45    48    55    70   0.27300  1.0 3.0
   45    48    55    56   0.23400  1.0 3.0
   45    48    55    57   0.23400  1.0 3.0
   48    52    60    61   0.15000  1.0 3.0
   48    52    60    64   0.56750  1.0 1.0
   48    52    60    64  -0.07550 -1.0 2.0
   48    52    60    64   0.20000  1.0 3.0
   48    52    60    72   1.36600  1.0 1.0
   48    52    60    72  -0.11450 -1.0 2.0
   48    52    60    72   0.24250  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    54   0.15000  1.0 3.0
   49    48    52    60   0.15000  1.0 3.0
   49    48    55    70   0.15000  1.0 3.0
   49    48    55    56   0.15000  1.0 3.0
   49    48    55    57   0.15000  1.0 3.0
   52    48    55    70   0.56750  1.0 1.0
   52    48    55    70  -0.07550 -1.0 2.0
   52    48    55    70   0.20000  1.0 3.0
   52    48    55    56   0.15000  1.0 3.0
   52    48    55    57   0.15000  1.0 3.0
   52    60    64    65   0.15000  1.0 3.0
   52    60    64    66   0.15000  1.0 3.0
   52    60    64    67   0.56750  1.0 1.0
   52    60    64    67  -0.07550 -1.0 2.0
   52    60    64    67   0.20000  1.0 3.0
   52    60   -72    70   0.47100  1.0 1.0
   52    60    72    73   0.17350  1.0 3.0
   52    60    72    74   0.47100  1.0 1.0
   53    52    60    61   0.15000  1.0 3.0
   53    52    60    64   0.15000  1.0 3.0
   53    52    60    72   0.19200  1.0 3.0
   54    52    60    61   0.15000  1.0 3.0
   54    52    60    64   0.15000  1.0 3.0
   54    52    60    72   0.19200  1.0 3.0
   60    64    67    68   0.15000  1.0 3.0
   60    64    67    69   0.15000  1.0 3.0
   60    64   -67    70   0.56750  1.0 1.0
   60    64   -67    70  -0.07550 -1.0 2.0
   60    64   -67    70   0.20000  1.0 3.0
   60    72    74    75   0.15000  1.0 3.0
   60    72    74    76   0.15000  1.0 3.0
   60    72    74    77   0.15000  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    66   0.15000  1.0 3.0
   61    60    64    67   0.15000  1.0 3.0
   61    60    72    70   0.15000  1.0 3.0
   61    60    72    73   0.13050  1.0 3.0
   61    60    72    74   0.15000  1.0 3.0
   64    60   -72    70   0.47100  1.0 1.0
   64    60    72    73   0.17350  1.0 3.0
   64    60    72    74   0.47100  1.0 1.0
   64    67    70    71   0.15000  1.0 3.0
   64    67    70    55   0.56750  1.0 1.0
   64    67    70    55  -0.07550 -1.0 2.0
   64    67    70    55   0.20000  1.0 3.0
   64    67   -70    72   1.36600  1.0 1.0
   64    67   -70    72  -0.11450 -1.0 2.0
   64    67   -70    72   0.24250  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    70   0.15000  1.0 3.0
   67    70    55    48   0.56750  1.0 1.0
   67    70    55    48  -0.07550 -1.0 2.0
   67    70    55    48   0.20000  1.0 3.0
   67    70    55    56   0.15000  1.0 3.0
   67    70    55    57   0.15000  1.0 3.0
   67    70   -72    60   0.47100  1.0 1.0
   67    70    72    73   0.17350  1.0 3.0
   67    70    72    74   0.47100  1.0 1.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    55   0.15000  1.0 3.0
   68    67    70    72   0.19200  1.0 3.0
   69    67    70    71   0.15000  1.0 3.0
   69    67    70    55   0.15000  1.0 3.0
   69    67    70    72   0.19200  1.0 3.0
   70    72    74    75   0.15000  1.0 3.0
   70    72    74    76   0.15000  1.0 3.0
   70    72    74    77   0.15000  1.0 3.0
   71    70    55    48   0.15000  1.0 3.0
   71    70    55    56   0.15000  1.0 3.0
   71    70    55    57   0.15000  1.0 3.0
   71    70    72    60   0.15000  1.0 3.0
   71    70    72    73   0.13050  1.0 3.0
   71    70    72    74   0.15000  1.0 3.0
   55    48    52    53   0.15000  1.0 3.0
   55    48    52    54   0.15000  1.0 3.0
   55    48    52    60   0.56750  1.0 1.0
   55    48    52    60  -0.07550 -1.0 2.0
   55    48    52    60   0.20000  1.0 3.0
   55    70   -72    60   0.47100  1.0 1.0
   55    70    72    73   0.17350  1.0 3.0
   55    70    72    74   0.47100  1.0 1.0
   72    60    64    65   0.19200  1.0 3.0
   72    60    64    66   0.19200  1.0 3.0
   72    60   -64    67   1.36600  1.0 1.0
   72    60   -64    67  -0.11450 -1.0 2.0
   72    60   -64    67   0.24250  1.0 3.0
   72    70   -55    48   1.36600  1.0 1.0
   72    70   -55    48  -0.11450 -1.0 2.0
   72    70   -55    48   0.24250  1.0 3.0
   72    70    55    56   0.19200  1.0 3.0
   72    70    55    57   0.19200  1.0 3.0
   73    72    74    75   0.13050  1.0 3.0
   73    72    74    76   0.13050  1.0 3.0
   73    72    74    77   0.13050  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
   37    30    36    38  10.50000 -1.0 2.0
   33    40    39    41  15.00000 -1.0 2.0
   43    62    40    39   4.00000 -1.0 2.0
   46    44    43    40   1.10000 -1.0 2.0
   50    47    46    43   1.10000 -1.0 2.0
   58    51    50    46   1.10000 -1.0 2.0
   62    59    58    50   1.10000 -1.0 2.0
   58    63    62    40   1.10000 -1.0 2.0
   42    45    41    39  15.00000 -1.0 2.0
END
