* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    156    231     450
    1     0 S   NP   _N1_     1    29.16184    97.90971   -23.20320
    2     1 S   H    _HN1     2     1.02779   118.24352  -128.74257
    3     1 S   H    _H1_     3     1.02941    64.72358   -30.53633
    4     1 S   H    _H2_     4     1.02822    42.52050   145.25704
    5     1 S   CT   _CA1     5     1.50150   128.15194    66.31542
    6     5 S   HC   _HA1     6     1.09560   105.19735   104.52875
    7     5 S   CO3  _C1_     7     1.53864   112.22038   -15.83626
    8     7 S   O2Z  _O11     8     1.26410   114.96868   -44.17446
    9     7 S   O2Z  _O12     9     1.26197   115.04748   134.65524
   10     5 S   CT   _CB1    10     1.53085   107.39966  -137.27789
   11    10 S   HC   HB11    11     1.09834   109.77977   -46.39871
   12    10 S   HC   HB12    12     1.09801   110.34685    70.32892
   13    10 S   CT   _CG1    13     1.52960   112.40768  -167.12122
   14    13 S   HC   HG11    14     1.09539   110.72864   -62.88160
   15    13 S   HC   HG12    15     1.09649   109.67562    56.25738
   16    13 S   C    _CD1    16     1.51783   111.92940   177.45524
   17    16 S   O    _OE1    17     1.22790   123.18083    19.04879
   18    16 S   N    _N2_    18     1.38440   111.99672  -162.09750
   19    18 S   H    _HN2    19     1.01727   119.03400     0.55001
   20    18 S   CT1  _CA2    20     1.46080   122.83103  -177.35092
   21    20 S   HC   _HA2    21     1.09741   108.21557    35.88357
   22    20 S   C    _C2_    22     1.53107   110.45689   -80.79583
   23    22 S   O    _O2_    23     1.23167   120.90715   157.50736
   24    20 S   CT   _CB2    32     1.53263   111.36145   158.47090
   25    24 S   HC   HB21    33     1.09257   109.20420    57.77473
   26    24 S   HC   HB22    34     1.09541   110.55377   175.59540
   27    22 S   N    _N3_    24     1.38143   114.75475   -29.38748
   28    27 S   H    _HN3    25     1.01647   119.48313     5.33124
   29    24 S   S    _SG2    35     1.83034   110.60588   -65.13452
   30    27 S   CT   _CA3    26     1.45265   122.72899  -178.85808
   31    30 S   HC   HA31    27     1.09558   107.62251   -61.59589
   32    30 S   HC   HA32    28     1.09470   107.84845    54.51805
   33    29 S   CT   _C11    36     1.86986   101.65163   142.13492
   34    30 S   CO3  _C3_    29     1.52798   114.23019   177.31234
   35    34 S   O2Z  _O31    30     1.26331   115.93833    18.30266
   36    34 S   O2Z  _O32    31     1.26431   114.51321  -162.06108
   37    33 S   CM   _C8_    37     1.55348   112.00856   -56.57766
   38    33 S   CT   _C12    84     1.54279   107.05014  -179.96574
   39    38 S   HC   _H11    85     1.09791   111.51742   -62.24777
   40    38 S   HC   _H12    86     1.09528   111.07572   179.39542
   41    38 S   HC   _H13    87     1.09393   113.57652    58.76080
   42    37 S   CT   _C7_    38     1.56463   117.27930   121.83555
   43    42 S   HC   _H3_    39     1.09767   104.88235  -132.06189
   44    37 S   CMA  _C9_    77     1.37849   123.76885   -56.17432
   45    44 S   OM   _O33    78     1.26940   125.10032   176.34500
   46    42 S   CA   _C13    40     1.53615   112.49846   108.77542
   47    42 S   CM   _C6_    53     1.51343   114.70024   -18.15075
   48    44 S   OS   _O34    79     1.41536   112.57907    -2.02710
   49    46 S   CA   _C14    41     1.40853   119.28721   -61.71551
   50    49 S   HA   _H14    42     1.08636   120.44562    -1.31730
   51    47 S   CM   _C5_    54     1.34199   122.94898    19.28152
   52    47 S   CO4  _C19    61     1.47630   117.31112  -159.69599
   53    52 S   O    _O37    62     1.22015   124.35873   -93.82551
   54    48 S   CT   _C10    80     1.42742   115.50490  -151.81708
   55    54 S   HC   _H7_    81     1.09398   107.71928   173.74649
   56    54 S   HC   _H8_    82     1.09518   110.97945    55.64915
   57    54 S   HC   _H9_    83     1.09450   111.12901   -68.32043
   58    49 S   CA   _C15    43     1.39890   121.67855   179.13227
   59    58 S   HA   _H15    44     1.08652   119.75303  -179.76930
   60    33 S   NE   _N4_    55     1.45879   105.54746    67.33239
   61    60 S   H    _H10    56     1.01612   115.67637    57.11141
   62    51 S   CT   _C4_    57     1.50604   124.86998   178.05751
   63    62 S   HC   _H4_    58     1.09559   109.98748   119.94462
   64    62 S   HC   _H5_    59     1.09315   113.72803    -0.44893
   65    62 S   HC   _H6_    60     1.09549   110.03650  -120.88294
   66    52 S   OS   _O38    63     1.35683   107.68603    86.44976
   67    58 S   CA   _C16    45     1.39157   120.30638     0.35608
   68    67 S   HA   _H16    46     1.08603   120.08679   179.96044
   69    66 S   CT   _C20    64     1.43564   115.65683   179.54976
   70    69 S   HC   _H18    65     1.09613   108.54832    66.24473
   71    69 S   HC   _H19    66     1.09687   109.69864   -52.87322
   72    67 S   CA   _C17    47     1.39078   119.76627     0.50899
   73    72 S   HA   _H17    48     1.08713   119.24456   179.00653
   74    69 S   CT   _C21    67     1.53242   108.74060  -173.87855
   75    74 S   HC   _H20    68     1.09699   108.45416   -55.40020
   76    46 S   CA   _C18    49     1.40887   124.31585   118.71963
   77    74 S   CT   _C22    69     1.53052   111.19039    62.53632
   78    77 S   HC   _H21    70     1.09530   111.22109    58.98938
   79    77 S   HC   _H22    71     1.09509   111.17312   -61.45745
   80    77 S   HC   _H23    72     1.09514   110.75972   179.01048
   81    74 S   CT   _C23    73     1.52646   110.53197  -174.45013
   82    81 S   HC   _H24    74     1.09531   111.30890   -61.56223
   83    81 S   HC   _H25    75     1.09515   110.79518   178.18987
   84    81 S   HC   _H26    76     1.09509   110.78462    58.68859
   85    76 S   NO2  _N5_    50     1.44872   121.78511     2.49434
   86    85 S   ON   _O36    51     1.23799   117.12734  -119.91722
   87    85 S   ON   _O35    52     1.23749   117.21957    62.81452
  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  11   5   4   3
  16   2   1   1  18   8   3   2   1  18   7   9   2  14  13   4
   8   4   9   8   2   3   2   1   1   6   3   5   1   3   2   1
   1   7   5   3  12   5   4   5   2   9   8   3   7   3   2   1
   3   2   1   1   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    60    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    51    60    61    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    46    47    51    60    61    62    44    45    48    38    39    40    41  
   35    36  
   36  
    0  
   42    43    46    49    76    47    51    60    61    52    44    45    48    54    38    39    40    41  
   39    40    41    42    44    51    60    61  
   40    41    60  
   41    60  
   60  
   43    46    49    50    58    72    76    85    47    51    60    62    52    53    66    44    45    48  
   46    49    76    47    51    52    44  
   45    48    54    55    56    57    46    47    60  
   48    54  
   49    50    58    59    67    72    73    76    85    86    87    47    51    52  
   51    60    61    62    63    64    65    52    53    66    69    49    76  
   54    55    56    57  
   50    58    59    67    68    72    76    85  
   58    59    67    76  
   60    61    62    63    64    65    52    53    66  
   53    66    69    70    71    74    60    62  
   66    69  
   55    56    57  
   56    57  
   57  
    0  
   59    67    68    72    73    76  
   67    68    72  
   61    62    63    64    65  
   62  
   63    64    65  
   64    65  
   65  
    0  
   69    70    71    74    75    77    81  
   68    72    73    76    85  
   72    73    76  
   70    71    74    75    77    78    79    80    81    82    83    84  
   71    74    75    77    81  
   74    75    77    81  
   73    76    85    86    87  
   76    85  
   75    77    78    79    80    81    82    83    84  
   77    78    79    80    81    82    83    84  
   85    86    87  
   78    79    80    81    82    83    84  
   79    80    81  
   80    81  
   81  
   82    83    84  
   83    84  
   84  
    0  
   86    87  
   87  
    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   0.402800   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   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   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   61   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   86   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   87   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
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    60   382.000  1.448
   33    38   268.000  1.529
   37    42   317.000  1.510
   37    44   465.000  1.376
   42    43   340.000  1.090
   42    46   317.000  1.510
   42    47   317.000  1.510
   46    49   469.000  1.400
   46    76   469.000  1.400
   49    50   367.000  1.080
   49    58   469.000  1.400
   58    59   367.000  1.080
   58    67   469.000  1.400
   67    68   367.000  1.080
   67    72   469.000  1.400
   72    73   367.000  1.080
   72    76   469.000  1.400
   76    85   400.000  1.460
   85    86   550.000  1.225
   85    87   550.000  1.225
   47    51   549.000  1.340
   47    52   320.000  1.462
   51    60   425.000  1.378
   51    62   317.000  1.510
   60    61   434.000  1.010
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   52    53   570.000  1.229
   52    66   214.000  1.327
   66    69   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    74   268.000  1.529
   74    75   340.000  1.090
   74    77   268.000  1.529
   74    81   268.000  1.529
   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
   44    45   745.000  1.250
   44    48   440.000  1.360
   48    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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    60    80.00000  108.62000
   29    33    38    75.00000  111.63000
   33    37    42    65.00000  117.92700
   33    37    44    70.00000  124.00000
   33    60    51    50.00000  121.00000
   33    60    61    35.00000  112.50000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    35.00000  109.50000
   37    42    46    70.00000  112.99600
   37    42    47    70.00000  110.12100
   37    44    45    65.00000  137.10300
   37    44    48    80.00000  120.01400
   42    46    49    70.00000  120.00000
   42    46    76    70.00000  120.00000
   42    47    51    70.00000  124.00000
   42    47    52    65.00000  116.34900
   46    42    43    35.00000  109.50000
   46    49    50    35.00000  120.00000
   46    49    58    63.00000  120.00000
   46    76    72    63.00000  120.00000
   46    76    85    85.00000  120.00000
   49    58    59    35.00000  120.00000
   49    58    67    63.00000  120.00000
   58    49    50    35.00000  120.00000
   58    67    68    35.00000  120.00000
   58    67    72    63.00000  120.00000
   67    58    59    35.00000  120.00000
   67    72    73    35.00000  120.00000
   67    72    76    63.00000  120.00000
   72    67    68    35.00000  120.00000
   72    76    85    85.00000  120.00000
   76    46    49    63.00000  120.00000
   76    72    73    35.00000  120.00000
   76    85    86    80.00000  117.50000
   76    85    87    80.00000  117.50000
   87    85    86    80.00000  125.30000
   47    42    43    35.00000  109.50000
   47    42    46    70.00000  112.99600
   47    51    60    70.00000  124.03900
   47    51    62    70.00000  124.00000
   47    52    53    80.00000  123.72100
   47    52    66    90.00000  111.29400
   51    60    61    35.00000  114.50000
   51    62    63    35.00000  109.50000
   51    62    64    35.00000  109.50000
   51    62    65    35.00000  109.50000
   60    33    37    80.00000  112.42400
   62    51    60    75.00000  116.24600
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   52    47    51    65.00000  118.96000
   52    66    69    83.00000  116.90000
   66    52    53    83.00000  123.40000
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    74    50.00000  109.50000
   69    74    75    37.50000  110.70000
   69    74    77    58.35000  112.70000
   69    74    81    58.35000  112.70000
   71    69    70    33.00000  107.80000
   74    69    70    37.50000  110.70000
   74    69    71    37.50000  110.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    37.50000  110.70000
   74    81    82    37.50000  110.70000
   74    81    83    37.50000  110.70000
   74    81    84    37.50000  110.70000
   77    74    75    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    74    75    37.50000  110.70000
   81    74    77    58.35000  112.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   44    37    42    70.00000  124.00000
   44    48    54    90.00000  111.18400
   48    44    45    65.00000  121.00000
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    60    80.00000  111.61500
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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    60   0.01700  1.0 1.0
   24    29    33    60  -0.23550 -1.0 2.0
   24    29    33    60   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    37    44   0.42700  1.0 1.0
   29    33    37    44  -0.70350 -1.0 2.0
   29    33    37    44  -0.43150  1.0 3.0
   29    33    60    51  -0.12500  1.0 1.0
   29    33    60    51  -0.12500 -1.0 2.0
   29    33    60    51   0.25000  1.0 3.0
   29    33    60    61  -0.12500  1.0 1.0
   29    33    60    61  -0.12500 -1.0 2.0
   29    33    60    61   0.25000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    43   0.34800  1.0 3.0
   33    37    42    46   0.09700  1.0 1.0
   33    37    42    46   0.15600 -1.0 2.0
   33    37    42    46  -0.50800  1.0 3.0
   33    37    42    47   0.09700  1.0 1.0
   33    37    42    47   0.15600 -1.0 2.0
   33    37    42    47  -0.50800  1.0 3.0
   33    37    44    45   7.00000 -1.0 2.0
   33    37    44    48   7.00000 -1.0 2.0
   37    33    60    51  -0.12500  1.0 1.0
   37    33    60    51  -0.12500 -1.0 2.0
   37    33    60    51   0.25000  1.0 3.0
   37    33    60    61  -0.12500  1.0 1.0
   37    33    60    61  -0.12500 -1.0 2.0
   37    33    60    61   0.25000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42    46    49   0.18050 -1.0 2.0
   37    42    46    76   0.18050 -1.0 2.0
   37    42   -47    51  -0.28300  1.0 1.0
   37    42   -47    51   0.26700 -1.0 2.0
   37    42   -47    51  -0.63300  1.0 3.0
   37    42    47    52   0.09700  1.0 1.0
   37    42    47    52   0.15600 -1.0 2.0
   37    42    47    52  -0.50800  1.0 3.0
   37    44    48    54  -2.26850  1.0 1.0
   37    44    48    54   3.39050 -1.0 2.0
   42    37    44    45   7.00000 -1.0 2.0
   42    37    44    48   7.00000 -1.0 2.0
   42    46    49    50   3.62500 -1.0 2.0
   42    46    49    58   3.62500 -1.0 2.0
   42    46    76    72   3.62500 -1.0 2.0
   42    46    76    85   3.62500 -1.0 2.0
   42    47    51    60   7.00000 -1.0 2.0
   42    47    51    62   7.00000 -1.0 2.0
   42    47    52    53  -0.64400  1.0 1.0
   42    47    52    53   0.26850 -1.0 2.0
   42    47    52    66  -0.15000  1.0 1.0
   42    47    52    66   0.89550 -1.0 2.0
   42    47    52    66  -0.06900  1.0 3.0
   43    42    46    49   0.00000  1.0 1.0
   43    42    46    76   0.00000  1.0 1.0
   43    42    47    51   0.00000  1.0 1.0
   43    42    47    52   0.15000  1.0 3.0
   46    42    47    51   1.44450  1.0 1.0
   46    42    47    51   0.06600 -1.0 2.0
   46    42    47    51   0.29250  1.0 3.0
   46    42    47    52   0.09700  1.0 1.0
   46    42    47    52   0.15600 -1.0 2.0
   46    42    47    52  -0.50800  1.0 3.0
   46    49    58    59   3.62500 -1.0 2.0
   46    49    58    67   3.62500 -1.0 2.0
   46    76    85    86   0.69950 -1.0 2.0
   46    76    85    87   0.69950 -1.0 2.0
   49    46    76    72   3.62500 -1.0 2.0
   49    46    76    85   3.62500 -1.0 2.0
   49    58    67    68   3.62500 -1.0 2.0
   49    58   -67    72   3.62500 -1.0 2.0
   50    49    58    59   3.62500 -1.0 2.0
   50    49    58    67   3.62500 -1.0 2.0
   58    67    72    73   3.62500 -1.0 2.0
   58    67    72    76   3.62500 -1.0 2.0
   59    58    67    68   3.62500 -1.0 2.0
   59    58    67    72   3.62500 -1.0 2.0
   67    72   -76    46   3.62500 -1.0 2.0
   67    72    76    85   3.62500 -1.0 2.0
   68    67    72    73   3.62500 -1.0 2.0
   68    67    72    76   3.62500 -1.0 2.0
   72    76    85    86   0.69950 -1.0 2.0
   72    76    85    87   0.69950 -1.0 2.0
   73    72    76    46   3.62500 -1.0 2.0
   73    72    76    85   3.62500 -1.0 2.0
   76    46    49    50   3.62500 -1.0 2.0
   76    46   -49    58   3.62500 -1.0 2.0
   47    42    46    49   0.18050 -1.0 2.0
   47    42    46    76   0.18050 -1.0 2.0
   47    51   -60    33  -0.54700  1.0 1.0
   47    51   -60    33   1.23000 -1.0 2.0
   47    51    60    61   1.00000 -1.0 2.0
   47    51    62    63   0.00000  1.0 1.0
   47    51    62    64   0.00000  1.0 1.0
   47    51    62    65   0.00000  1.0 1.0
   47    52    66    69   2.00000 -1.0 2.0
   51    47    52    53   1.00000 -1.0 2.0
   51    47    52    66  -0.56150  1.0 1.0
   51    47    52    66   2.19150 -1.0 2.0
   60    33   -37    42   0.09700  1.0 1.0
   60    33   -37    42   0.15600 -1.0 2.0
   60    33   -37    42  -0.50800  1.0 3.0
   60    33    37    44   0.62150  1.0 1.0
   60    33    37    44   0.42850 -1.0 2.0
   60    33    37    44  -0.68200  1.0 3.0
   60    33    38    39   0.22950  1.0 3.0
   60    33    38    40   0.22950  1.0 3.0
   60    33    38    41   0.22950  1.0 3.0
   60    51    62    63  -0.18050  1.0 3.0
   60    51    62    64  -0.18050  1.0 3.0
   60    51    62    65  -0.18050  1.0 3.0
   62    51    60    33   1.00000 -1.0 2.0
   62    51    60    61   2.40850 -1.0 2.0
   52    47    51    60   7.00000 -1.0 2.0
   52    47    51    62   7.00000 -1.0 2.0
   52    66    69    70   0.08050  1.0 3.0
   52    66    69    71   0.08050  1.0 3.0
   52    66    69    74  -0.25900  1.0 1.0
   52    66    69    74  -0.47000 -1.0 2.0
   52    66    69    74   0.11750  1.0 3.0
   53    52    66    69   3.00000 -1.0 2.0
   66    69    74    75   0.23400  1.0 3.0
   66    69    74    77   0.62750  1.0 1.0
   66    69    74    77  -0.30950 -1.0 2.0
   66    69    74    77   0.27300  1.0 3.0
   66    69    74    81   0.62750  1.0 1.0
   66    69    74    81  -0.30950 -1.0 2.0
   66    69    74    81   0.27300  1.0 3.0
   69    74    77    78   0.15000  1.0 3.0
   69    74    77    79   0.15000  1.0 3.0
   69    74    77    80   0.15000  1.0 3.0
   69    74    81    82   0.15000  1.0 3.0
   69    74    81    83   0.15000  1.0 3.0
   69    74    81    84   0.15000  1.0 3.0
   70    69    74    75   0.15000  1.0 3.0
   70    69    74    77   0.15000  1.0 3.0
   70    69    74    81   0.15000  1.0 3.0
   71    69    74    75   0.15000  1.0 3.0
   71    69    74    77   0.15000  1.0 3.0
   71    69    74    81   0.15000  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    80   0.15000  1.0 3.0
   75    74    81    82   0.15000  1.0 3.0
   75    74    81    83   0.15000  1.0 3.0
   75    74    81    84   0.15000  1.0 3.0
   77    74    81    82   0.15000  1.0 3.0
   77    74    81    83   0.15000  1.0 3.0
   77    74    81    84   0.15000  1.0 3.0
   81    74    77    78   0.15000  1.0 3.0
   81    74    77    79   0.15000  1.0 3.0
   81    74    77    80   0.15000  1.0 3.0
   44    37    42    43   0.00000  1.0 1.0
   44    37    42    46   1.44450  1.0 1.0
   44    37    42    46   0.06600 -1.0 2.0
   44    37    42    46   0.29250  1.0 3.0
   44    37    42    47  -0.28300  1.0 1.0
   44    37    42    47   0.26700 -1.0 2.0
   44    37    42    47  -0.63300  1.0 3.0
   44    48    54    55   0.08050  1.0 3.0
   44    48    54    56   0.08050  1.0 3.0
   44    48    54    57   0.08050  1.0 3.0
   45    44    48    54   2.00000 -1.0 2.0
   38    33    37    42   0.46850  1.0 1.0
   38    33    37    42   0.08550 -1.0 2.0
   38    33    37    42   0.09800  1.0 3.0
   38    33    37    44   0.09850  1.0 1.0
   38    33    37    44   0.15250 -1.0 2.0
   38    33    37    44  -0.50650  1.0 3.0
   38    33    60    51   0.25450  1.0 1.0
   38    33    60    51  -0.61700 -1.0 2.0
   38    33    60    51  -0.23550  1.0 3.0
   38    33    60    61   0.00000  1.0 1.0
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    42    37    44   1.10000 -1.0 2.0
   49    76    46    42   4.00000 -1.0 2.0
   58    50    49    46   1.10000 -1.0 2.0
   67    59    58    49   1.10000 -1.0 2.0
   72    68    67    58   1.10000 -1.0 2.0
   76    73    72    67   1.10000 -1.0 2.0
   72    85    76    46   4.00000 -1.0 2.0
   86    76    85    87  10.50000 -1.0 2.0
   42    52    47    51   1.10000 -1.0 2.0
   62    60    51    47   1.10000 -1.0 2.0
   61    51    60    33   1.00000 -1.0 2.0
   47    66    52    53  10.50000 -1.0 2.0
   45    48    44    37   1.10000 -1.0 2.0
END
