* LIGAND DATABASE FILE (OPLS2005)
*
001      92    94    167    251     483
    1     0 S   NP   _N1_     1    33.28032   101.77574   -20.05203
    2     1 S   H    _HN1     2     1.02854    67.63571  -114.31079
    3     1 S   H    _H1_     3     1.02728    89.56019   136.64328
    4     1 S   H    _H2_     4     1.03459   162.61355   -36.33720
    5     1 S   CT   _CA1     5     1.50212    57.55112    21.20361
    6     5 S   HC   _HA1     6     1.09448   104.93332   131.01195
    7     5 S   CO3  _C1_     7     1.53705   113.44440    10.56002
    8     7 S   O2Z  _O11     8     1.26431   115.09915   -27.95803
    9     7 S   O2Z  _O12     9     1.26260   115.13927   151.57562
   10     5 S   CT   _CB1    10     1.52902   107.27053  -110.43229
   11    10 S   HC   HB11    11     1.09483   109.23589   -39.12066
   12    10 S   HC   HB12    12     1.09835   110.58295    76.48168
   13    10 S   CT   _CG1    13     1.53205   113.22919  -161.25011
   14    13 S   HC   HG11    14     1.09519   111.02550   -86.35950
   15    13 S   HC   HG12    15     1.09613   111.42759    33.25259
   16    13 S   C    _CD1    16     1.51530   109.32636   153.24943
   17    16 S   O    _OE1    17     1.22762   122.15549    97.51431
   18    16 S   N    _N2_    18     1.38526   112.23094   -79.59976
   19    18 S   H    _HN2    19     1.01652   118.59496    -3.39408
   20    18 S   CT1  _CA2    20     1.45828   123.17801   170.46851
   21    20 S   HC   _HA2    21     1.09668   108.85641    28.01040
   22    20 S   C    _C2_    22     1.53357   108.33253   -88.52273
   23    22 S   O    _O2_    23     1.23125   121.05189   150.64746
   24    20 S   CT   _CB2    32     1.53174   112.31182   151.77071
   25    24 S   HC   HB21    33     1.09250   110.01774    59.75217
   26    24 S   HC   HB22    34     1.09586   109.77627   176.65977
   27    22 S   N    _N3_    24     1.38452   114.51915   -36.96214
   28    27 S   H    _HN3    25     1.01542   119.58137     2.03067
   29    24 S   S    _SG2    35     1.83100   112.11416   -64.46895
   30    27 S   CT   _CA3    26     1.45305   123.28718  -177.61214
   31    30 S   HC   HA31    27     1.09553   108.34227   -43.08735
   32    30 S   HC   HA32    28     1.09549   107.10517    73.31356
   33    29 S   CT   _C22    36     1.86460   101.46701   123.85319
   34    30 S   CO3  _C3_    29     1.53095   114.46869  -165.36360
   35    34 S   O2Z  _O31    30     1.26417   116.43342     3.78082
   36    34 S   O2Z  _O32    31     1.26444   114.34430  -176.45989
   37    33 S   CM   _C21    37     1.52244   107.59212   -64.04010
   38    37 S   HC   _H13    38     1.09602   111.85888   -62.68365
   39    33 S   CT   _C23    85     1.53482   108.65463    65.73934
   40    39 S   HC   _H14    86     1.09723   111.37680    59.80886
   41    39 S   HC   _H15    87     1.09550   110.91835   178.31159
   42    39 S   HC   _H16    88     1.09337   113.12498   -60.51095
   43    33 S   CT   _C24    89     1.54224   106.21949  -178.92662
   44    43 S   HC   _H17    90     1.09693   111.89092   -61.39458
   45    43 S   HC   _H18    91     1.09730   112.39977    59.79048
   46    43 S   HC   _H19    92     1.09651   110.58469   179.32681
   47    37 S   CMA  _C20    39     1.35760   133.05250   116.32669
   48    47 S   OM   _O39    40     1.26840   122.33725  -178.06558
   49    47 S   OS   _O38    41     1.41066   112.83625     0.66205
   50    49 S   CT   _C19    42     1.43714   117.95189   172.83267
   51    50 S   HC   _H4_    43     1.10064   110.87984    37.08510
   52    50 S   CT   _C8_    44     1.53751   111.00329   -83.02110
   53    52 S   HC   _H3_    45     1.09626   108.73484    73.35675
   54    52 S   CA   _C9_    46     1.50629   110.08778  -166.94944
   55    52 S   OS   _O34    71     1.44382   110.21982   -48.45444
   56    54 S   CA   _C10    47     1.39941   121.06163    16.50637
   57    55 S   CO4  _C7_    72     1.35972   118.31644   113.14536
   58    57 S   O    _O33    73     1.21817   127.13460     1.97199
   59    56 S   CA   _C11    48     1.39989   120.45303  -178.97359
   60    59 S   HA   _H9_    49     1.08744   120.05250   179.23001
   61    56 S   OS   _O37    61     1.36961   124.32572     0.02798
   62    57 S   CM   _C6_    74     1.48368   106.76266  -178.99536
   63    62 S   HC   _H8_    75     1.08806   114.84828   -14.32015
   64    59 S   CA   _C12    50     1.39587   120.59488    -1.21015
   65    64 S   HA   _H10    51     1.08707   119.17126  -179.63577
   66    50 S   CT   _C18    62     1.55065   109.86890   153.33362
   67    62 S   CM   _C5_    76     1.34565   126.09917   166.34598
   68    64 S   CA   _C13    52     1.39406   119.88508     0.17246
   69    66 S   CT   _C25    63     1.54062   108.93779   -62.77906
   70    69 S   HC   _H20    64     1.09639   110.94336  -174.14050
   71    69 S   HC   _H21    65     1.09410   112.09407    64.68106
   72    69 S   HC   _H22    66     1.09569   110.69413   -56.67523
   73    66 S   CT   _C26    67     1.53745   115.37952    58.20860
   74    73 S   HC   _H23    68     1.09689   110.40755  -174.60177
   75    73 S   HC   _H24    69     1.09387   112.27130    68.45539
   76    73 S   HC   _H25    70     1.09244   112.10355   -54.21430
   77    67 S   CT   _C4_    77     1.50760   119.65228   178.19886
   78    77 S   HC   _H5_    78     1.09502   110.28894   118.59130
   79    77 S   HC   _H6_    79     1.09519   112.48699    -1.55255
   80    77 S   HC   _H7_    80     1.09505   110.18077  -121.57797
   81    67 S   CT   _C27    81     1.50316   126.54997    -2.33146
   82    81 S   HC   _H26    82     1.09466   110.08174   108.00363
   83    81 S   HC   _H27    83     1.09073   113.88094   -13.86764
   84    81 S   HC   _H28    84     1.09583   110.03105  -132.88220
   85    54 S   CA   _C14    53     1.40449   121.10606  -164.05342
   86    85 S   OS   _O35    54     1.41525   118.19117    -0.40638
   87    86 S   CO4  _C15    55     1.38960   122.36922  -179.56976
   88    87 S   O    _O36    56     1.22579   122.23466   179.40488
   89    87 S   CM   _C16    57     1.47295   116.60120    -0.61612
   90    89 S   HC   _H11    58     1.08423   117.16072  -179.65452
   91    68 S   CM   _C17    59     1.45372   121.78737  -179.62361
   92    91 S   HC   _H12    60     1.08455   119.01414    -0.12033
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  13   2   1   1  13   5   8   3   2   1   4   2   1   1   6   2
  10  18   8  15   6  13   8  11   6   3   8   4  11  10   3   7
   3   8   8   7   7   3   2   1   3   2   1   1   7   3   2   1
   3   2   1   1   6   5   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    39    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    47    48    49    39    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    47    48    49    50    39    40    41    42    43    44    45    46  
   47    48    49    39    43  
   40    41    42    43    44    45    46    47  
   41    42    43  
   42    43  
   43  
   44    45    46    47  
   45    46  
   46  
    0  
   48    49    50    51    52    66  
   49    50  
   50    51    52    53    54    61    66    69    73    55  
   51    52    53    54    56    85    61    66    69    70    71    72    73    74    75    76    55    57  
   52    53    54    61    66    69    73    55  
   53    54    56    59    68    85    86    61    66    69    73    55    57    58    62  
   54    56    85    66    55    57  
   56    59    60    64    68    85    86    87    91    61    66    55    57  
   57    58    62    63    67    56    66    85  
   59    60    64    65    68    85    86    61    66    69    73  
   58    62    63    67    77    81  
   62    63    67  
   60    64    65    68    85    91    61    66  
   64    65    68    61  
   66    69    70    71    72    73    74    75    76    64    85  
   63    67    77    78    79    80    81    82    83    84  
   67    77    81  
   65    68    85    86    89    91    92  
   68    85    91  
   69    70    71    72    73    74    75    76  
   77    78    79    80    81    82    83    84  
   85    86    87    89    90    91    92  
   70    71    72    73    74    75    76  
   71    72    73  
   72    73  
   73  
   74    75    76  
   75    76  
   76  
    0  
   78    79    80    81    82    83    84  
   79    80    81  
   80    81  
   81  
   82    83    84  
   83    84  
   84  
    0  
   86    87    88    89    91    92  
   87    88    89    90    91  
   88    89    90    91    92  
   89    90    91  
   90    91    92  
   91    92  
   92  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   49   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   55   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   86   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   87   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   89   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   90   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   92   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    47   465.000  1.376
   47    48   745.000  1.250
   47    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    66   268.000  1.529
   52    53   340.000  1.090
   52    54   317.000  1.510
   52    55   320.000  1.410
   54    56   469.000  1.400
   54    85   469.000  1.400
   56    59   469.000  1.400
   56    61   450.000  1.364
   59    60   367.000  1.080
   59    64   469.000  1.400
   64    65   367.000  1.080
   64    68   469.000  1.400
   68    85   469.000  1.400
   68    91   320.000  1.460
   85    86   450.000  1.364
   86    87   214.000  1.327
   87    88   570.000  1.229
   87    89   320.000  1.462
   89    90   340.000  1.080
   89    91   549.000  1.340
   91    92   340.000  1.080
   61    66   320.000  1.410
   66    69   268.000  1.529
   66    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
   55    57   214.000  1.327
   57    58   570.000  1.229
   57    62   320.000  1.462
   62    63   340.000  1.080
   62    67   549.000  1.340
   67    77   317.000  1.510
   67    81   317.000  1.510
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    47    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    65.00000  137.10300
   37    47    49    80.00000  120.01400
   47    37    38    40.00000  120.50800
   47    49    50    90.00000  111.18400
   49    47    48    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    66    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    70.00000  112.17500
   50    52    55    50.00000  109.50000
   50    66    61    50.00000  109.50000
   50    66    69    58.35000  112.70000
   50    66    73    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    54    56    70.00000  120.00000
   52    54    85    70.00000  120.00000
   52    55    57    83.00000  116.90000
   54    52    53    35.00000  109.50000
   54    56    59    63.00000  120.00000
   54    56    61    70.00000  120.00000
   54    85    68    63.00000  120.00000
   54    85    86    70.00000  120.00000
   56    59    60    35.00000  120.00000
   56    59    64    63.00000  120.00000
   56    61    66    75.00000  111.00000
   59    64    65    35.00000  120.00000
   59    64    68    63.00000  120.00000
   64    59    60    35.00000  120.00000
   64    68    85    63.00000  120.00000
   64    68    91    60.00000  120.93500
   68    64    65    35.00000  120.00000
   68    85    86    70.00000  120.00000
   68    91    89    60.00000  123.20500
   68    91    92    40.00000  117.26300
   85    54    56    63.00000  120.00000
   85    86    87    85.00000  115.98000
   86    87    88    83.00000  123.40000
   86    87    89    90.00000  111.29400
   87    89    90    40.00000  117.72500
   87    89    91    65.00000  118.96000
   89    87    88    80.00000  123.72100
   89    91    92    35.00000  120.00000
   91    68    85    60.00000  120.93500
   91    89    90    35.00000  120.00000
   61    56    59    70.00000  120.00000
   61    66    69    50.00000  109.50000
   61    66    73    50.00000  109.50000
   66    50    51    37.50000  110.70000
   66    50    52    58.35000  112.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    37.50000  110.70000
   66    73    74    37.50000  110.70000
   66    73    75    37.50000  110.70000
   66    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    66    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
   55    52    53    35.00000  109.50000
   55    52    54    85.00000  111.85700
   55    57    58    83.00000  123.40000
   55    57    62    90.00000  111.29400
   57    62    63    40.00000  117.72500
   57    62    67    65.00000  118.96000
   62    57    58    80.00000  123.72100
   62    67    77    70.00000  124.00000
   62    67    81    70.00000  124.00000
   67    62    63    35.00000  120.00000
   67    77    78    35.00000  109.50000
   67    77    79    35.00000  109.50000
   67    77    80    35.00000  109.50000
   67    81    82    35.00000  109.50000
   67    81    83    35.00000  109.50000
   67    81    84    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
   81    67    77    65.00000  117.92700
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    47   0.42700  1.0 1.0
   29    33    37    47  -0.70350 -1.0 2.0
   29    33    37    47  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   7.00000 -1.0 2.0
   33    37    47    49   7.00000 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    49    50  -2.26850  1.0 1.0
   37    47    49    50   3.39050 -1.0 2.0
   38    37    47    48   7.00000 -1.0 2.0
   38    37    47    49   7.00000 -1.0 2.0
   47    49    50    51   0.08050  1.0 3.0
   47    49    50    52  -0.46850  1.0 1.0
   47    49    50    52   0.09300 -1.0 2.0
   47    49    50    52  -0.12850  1.0 3.0
   47    49    50    66  -0.46850  1.0 1.0
   47    49    50    66   0.09300 -1.0 2.0
   47    49    50    66  -0.12850  1.0 3.0
   48    47    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    54  -0.64350  1.0 1.0
   49    50    52    54  -0.04200 -1.0 2.0
   49    50    52    54   0.19800  1.0 3.0
   49    50    52    55   1.11900  1.0 1.0
   49    50    52    55  -1.16350 -1.0 2.0
   49    50    52    55  -0.34150  1.0 3.0
   49    50    66    61   1.11900  1.0 1.0
   49    50    66    61  -1.16350 -1.0 2.0
   49    50    66    61  -0.34150  1.0 3.0
   49    50    66    69   0.62750  1.0 1.0
   49    50    66    69  -0.30950 -1.0 2.0
   49    50    66    69   0.27300  1.0 3.0
   49    50    66    73   0.62750  1.0 1.0
   49    50    66    73  -0.30950 -1.0 2.0
   49    50    66    73   0.27300  1.0 3.0
   50    52    54    56   0.04150 -1.0 2.0
   50    52    54    85   0.04150 -1.0 2.0
   50    52    55    57  -0.25900  1.0 1.0
   50    52    55    57  -0.47000 -1.0 2.0
   50    52    55    57   0.11750  1.0 3.0
   50    66    69    70   0.15000  1.0 3.0
   50    66    69    71   0.15000  1.0 3.0
   50    66    69    72   0.15000  1.0 3.0
   50    66    73    74   0.15000  1.0 3.0
   50    66    73    75   0.15000  1.0 3.0
   50    66    73    76   0.15000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.43200  1.0 3.0
   51    50    52    55   0.23400  1.0 3.0
   51    50    66    61   0.23400  1.0 3.0
   51    50    66    69   0.15000  1.0 3.0
   51    50    66    73   0.15000  1.0 3.0
   52    50    66    61   0.62750  1.0 1.0
   52    50    66    61  -0.30950 -1.0 2.0
   52    50    66    61   0.27300  1.0 3.0
   52    50    66    69   0.56750  1.0 1.0
   52    50    66    69  -0.07550 -1.0 2.0
   52    50    66    69   0.20000  1.0 3.0
   52    50    66    73   0.56750  1.0 1.0
   52    50    66    73  -0.07550 -1.0 2.0
   52    50    66    73   0.20000  1.0 3.0
   52    54    56    59   3.62500 -1.0 2.0
   52    54   -56    61   3.62500 -1.0 2.0
   52    54    85    68   3.62500 -1.0 2.0
   52    54    85    86   3.62500 -1.0 2.0
   52    55    57    58   3.00000 -1.0 2.0
   52    55    57    62   2.00000 -1.0 2.0
   53    52    54    56   0.00000  1.0 1.0
   53    52    54    85   0.00000  1.0 1.0
   53    52    55    57   0.08050  1.0 3.0
   54    52    55    57  -0.43900 -1.0 2.0
   54    52    55    57   0.14100  1.0 3.0
   54    56    59    60   3.62500 -1.0 2.0
   54    56    59    64   3.62500 -1.0 2.0
   54    56    61    66   1.63200 -1.0 2.0
   54    85    86    87   0.01300  1.0 1.0
   54    85    86    87   0.97950 -1.0 2.0
   54    85    86    87  -0.55700  1.0 3.0
   56    54    85    68   3.62500 -1.0 2.0
   56    54    85    86   3.62500 -1.0 2.0
   56    59    64    65   3.62500 -1.0 2.0
   56    59   -64    68   3.62500 -1.0 2.0
   56    61   -66    50  -0.32850  1.0 1.0
   56    61   -66    50  -0.35800 -1.0 2.0
   56    61   -66    50   0.33950  1.0 3.0
   56    61    66    69  -0.32850  1.0 1.0
   56    61    66    69  -0.35800 -1.0 2.0
   56    61    66    69   0.33950  1.0 3.0
   56    61    66    73  -0.32850  1.0 1.0
   56    61    66    73  -0.35800 -1.0 2.0
   56    61    66    73   0.33950  1.0 3.0
   59    56    61    66   1.63200 -1.0 2.0
   59    64    68    85   3.62500 -1.0 2.0
   59    64    68    91   3.62500 -1.0 2.0
   60    59    64    65   3.62500 -1.0 2.0
   60    59    64    68   3.62500 -1.0 2.0
   64    68   -85    54   3.62500 -1.0 2.0
   64    68    85    86   3.62500 -1.0 2.0
   64    68    91    89   0.15800  1.0 1.0
   64    68    91    89   1.85350 -1.0 2.0
   64    68    91    89  -0.48700  1.0 3.0
   64    68    91    92   0.56550  1.0 3.0
   65    64    68    85   3.62500 -1.0 2.0
   65    64    68    91   3.62500 -1.0 2.0
   68    85    86    87   0.01300  1.0 1.0
   68    85    86    87   0.97950 -1.0 2.0
   68    85    86    87  -0.55700  1.0 3.0
   85    54   -56    59   3.62500 -1.0 2.0
   85    54    56    61   3.62500 -1.0 2.0
   85    68    91    89   0.15800  1.0 1.0
   85    68    91    89   1.85350 -1.0 2.0
   85    68    91    89  -0.48700  1.0 3.0
   85    68    91    92   0.56550  1.0 3.0
   85    86    87    88   3.00000 -1.0 2.0
   85    86   -87    89   2.00000 -1.0 2.0
   86    87    89    90   1.63100 -1.0 2.0
   86    87    89    91  -0.56150  1.0 1.0
   86    87    89    91   2.19150 -1.0 2.0
   87    89   -91    68   7.00000 -1.0 2.0
   87    89    91    92   7.00000 -1.0 2.0
   88    87    89    90   0.00000  1.0 1.0
   88    87    89    91   1.00000 -1.0 2.0
   90    89    91    68   7.00000 -1.0 2.0
   90    89    91    92   7.00000 -1.0 2.0
   91    68    85    54   3.62500 -1.0 2.0
   91    68   -85    86   3.62500 -1.0 2.0
   61    56    59    60   3.62500 -1.0 2.0
   61    56    59    64   3.62500 -1.0 2.0
   61    66    69    70   0.23400  1.0 3.0
   61    66    69    71   0.23400  1.0 3.0
   61    66    69    72   0.23400  1.0 3.0
   61    66    73    74   0.23400  1.0 3.0
   61    66    73    75   0.23400  1.0 3.0
   61    66    73    76   0.23400  1.0 3.0
   66    50    52    53   0.15000  1.0 3.0
   66    50   -52    54  -0.03700  1.0 1.0
   66    50   -52    54   0.37200 -1.0 2.0
   66    50   -52    54  -0.47300  1.0 3.0
   66    50    52    55   0.62750  1.0 1.0
   66    50    52    55  -0.30950 -1.0 2.0
   66    50    52    55   0.27300  1.0 3.0
   69    66    73    74   0.15000  1.0 3.0
   69    66    73    75   0.15000  1.0 3.0
   69    66    73    76   0.15000  1.0 3.0
   73    66    69    70   0.15000  1.0 3.0
   73    66    69    71   0.15000  1.0 3.0
   73    66    69    72   0.15000  1.0 3.0
   55    52    54    56   0.64500  1.0 1.0
   55    52    54    56   0.14800 -1.0 2.0
   55    52    54    56   0.20650  1.0 3.0
   55    52    54    85   0.64500  1.0 1.0
   55    52    54    85   0.14800 -1.0 2.0
   55    52    54    85   0.20650  1.0 3.0
   55    57    62    63   1.63100 -1.0 2.0
   55    57    62    67  -0.56150  1.0 1.0
   55    57    62    67   2.19150 -1.0 2.0
   57    62    67    77   7.00000 -1.0 2.0
   57    62    67    81   7.00000 -1.0 2.0
   58    57    62    63   0.00000  1.0 1.0
   58    57    62    67   1.00000 -1.0 2.0
   62    67    77    78   0.00000  1.0 1.0
   62    67    77    79   0.00000  1.0 1.0
   62    67    77    80   0.00000  1.0 1.0
   62    67    81    82   0.00000  1.0 1.0
   62    67    81    83   0.00000  1.0 1.0
   62    67    81    84   0.00000  1.0 1.0
   63    62    67    77   7.00000 -1.0 2.0
   63    62    67    81   7.00000 -1.0 2.0
   77    67    81    82   0.34800  1.0 3.0
   77    67    81    83   0.34800  1.0 3.0
   77    67    81    84   0.34800  1.0 3.0
   81    67    77    78   0.34800  1.0 3.0
   81    67    77    79   0.34800  1.0 3.0
   81    67    77    80   0.34800  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    47   0.09850  1.0 1.0
   39    33    37    47   0.15250 -1.0 2.0
   39    33    37    47  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    46   0.15000  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    47   0.09850  1.0 1.0
   43    33    37    47   0.15250 -1.0 2.0
   43    33    37    47  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    47  15.00000 -1.0 2.0
   48    49    47    37  15.00000 -1.0 2.0
   56    85    54    52   4.00000 -1.0 2.0
   59    61    56    54   4.00000 -1.0 2.0
   64    60    59    56   1.10000 -1.0 2.0
   68    65    64    59   1.10000 -1.0 2.0
   85    91    68    64   4.00000 -1.0 2.0
   68    86    85    54   4.00000 -1.0 2.0
   86    89    87    88  10.50000 -1.0 2.0
   87    90    89    91   1.10000 -1.0 2.0
   68    92    91    89   1.10000 -1.0 2.0
   55    62    57    58  10.50000 -1.0 2.0
   57    63    62    67  15.00000 -1.0 2.0
   77    81    67    62  15.00000 -1.0 2.0
END
