* LIGAND DATABASE FILE (OPLS2005)
*
001      96    97    170    262     499
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02119    43.44844  -138.95746
    3     1 S   H    _H1_     3     1.02121   104.02388   -36.49256
    4     1 S   H    _H2_     4     1.02102    69.74819    68.57197
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C16    36     1.82624    98.02351   161.84991
   34    33 S   HC   _H5_    37     1.09165   106.22515   -39.75616
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C15    38     1.50488   109.32194    80.03111
   39    38 S   HC   _H24    39     1.09108   116.28310    60.84737
   40    33 S   CM   _C17    71     1.51098   108.84052  -158.25925
   41    40 S   HC   _H25    72     1.09190   115.59153   -63.26895
   42    38 S   CM   _C14    40     1.34345   127.37937  -116.80847
   43    42 S   HC   _H23    41     1.08916   117.68066    -1.95885
   44    40 S   CMA  _C18    73     1.35192   125.40841   116.09782
   45    44 S   OM   _O36    74     1.26024   132.18705   179.87489
   46    42 S   CM   _C12    42     1.45581   127.62803   179.96574
   47    44 S   CM   _C19    75     1.45900   117.15574     0.03956
   48    46 S   CM   _C11    43     1.34843   120.82168   -39.97977
   49    48 S   HC   _H19    44     1.09060   117.94676     0.50397
   50    46 S   CT   _C13    67     1.50361   113.42468   143.09110
   51    50 S   HC   _H20    68     1.09581   110.59337    89.99073
   52    50 S   HC   _H21    69     1.09169   113.53087  -150.19188
   53    50 S   HC   _H22    70     1.09532   110.12674   -29.56252
   54    47 S   CMA  _C20    76     1.49232   127.08190   -90.01876
   55    54 S   OM   _O35    77     1.26471   111.21304     0.58551
   56    48 S   CT   _C9_    45     1.51243   127.84266  -178.36601
   57    56 S   HC   _H4_    46     1.09282   111.31792     0.00000
   58    54 S   CM   _C21    78     1.35901   119.47729  -179.56389
   59    56 S   CT   _C10    47     1.53327   108.90183  -117.54826
   60    59 S   HC   _H16    48     1.09526   110.66588   -59.64905
   61    59 S   HC   _H17    49     1.09585   111.65112  -179.80719
   62    59 S   HC   _H18    50     1.09583   110.97285    59.75749
   63    56 S   CT   _C8_    51     1.54489   112.09441   121.17672
   64    63 S   HC   _H14    52     1.09895   108.73987  -180.00000
   65    63 S   HC   _H15    53     1.09867   108.57644    65.13327
   66    58 S   CA   _C24    79     1.47771   121.56478  -179.89532
   67    58 S   CM   _C22    91     1.47950   121.22322    -0.42197
   68    67 S   HC   _H26    92     1.10063   118.14196  -179.80617
   69    63 S   CT   _C6_    54     1.54777   115.93545   -57.38403
   70    69 S   HC   _H3_    55     1.09369   108.71389    56.71482
   71    66 S   CA   _C25    80     1.39531   120.02618   -90.51057
   72    71 S   HA   _H28    81     1.08706   120.81766    -0.03956
   73    67 S   N    _N4_    93     1.27598   124.30578     0.21398
   74    73 S   H    _H27    94     1.02047   121.93473   180.00000
   75    69 S   CT   _C7_    56     1.53146   111.82308   -62.74328
   76    75 S   HC   _H11    57     1.09472   111.13412   -60.25435
   77    75 S   HC   _H12    58     1.09337   111.43876   178.96751
   78    75 S   HC   _H13    59     1.09411   111.46642    60.40294
   79    69 S   CT   _C5_    60     1.54443   108.75816   173.61500
   80    79 S   HC   _H9_    61     1.09700   110.10052   -54.68853
   81    79 S   HC   _H10    62     1.09755   109.11567    62.11708
   82    71 S   CA   _C26    82     1.39440   119.99697   179.97202
   83    82 S   HA   _H29    83     1.08740   119.64098   179.98022
   84    47 S   C    _C23    95     1.49163   114.53805    89.99292
   85    84 S   O    _O33    96     1.21795   127.50990    -0.17583
   86    79 S   CT   _C4_    63     1.52281   113.73796  -177.60780
   87    86 S   HC   _H6_    64     1.09322   111.72627   -56.53903
   88    86 S   HC   _H7_    65     1.09497   109.93525    62.55602
   89    86 S   HC   _H8_    66     1.09406   111.06241  -177.95034
   90    82 S   CA   _C27    84     1.39507   120.05599     0.03426
   91    90 S   CA   _C28    85     1.39531   119.94706    -0.02798
   92    91 S   HA   _H30    86     1.08650   120.29666  -179.94405
   93    90 S   OH   _O34    89     1.36021   120.04203   180.00000
   94    93 S   HO   _H32    90     0.97029   110.26627   179.95577
   95    66 S   CA   _C29    87     1.39536   119.99450    89.49174
   96    95 S   HA   _H31    88     1.08713   120.86398     0.01978
  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   8   5   4   3
  11   6   2   1   1   9   4   7   3   9   3   8   3  10   9  15
   5   4   2   1   1  10   4  12   8  12   7   3   2   1  12   5
   4  12   7   3  12   8   8   4   3   2   7   3   2   1   6   5
   4   7   3   1   1   3   2   1   1   6   5   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    40    41    44    45    47  
   38    39    42    40    41    44  
   36    37  
   37  
    0  
   39    42    43    46    48    50    40    41    44  
   42    43    46    40  
   41    44    45    47    54    84    42  
   44    45    47  
   43    46    48    49    56    50    51    52    53  
   46    48    50  
   45    47    54    55    58    73    84    85  
   47    54    84  
   48    49    56    57    59    63    50    51    52    53  
   54    55    58    66    67    73    74    84    85  
   49    56    57    59    60    61    62    63    64    65    69    50    51    52    53  
   56    57    59    63    50  
   51    52    53    56  
   52    53  
   53  
    0  
   55    58    66    71    95    67    68    73    84    85  
   58    66    67    84  
   57    59    60    61    62    63    64    65    69    70    75    79  
   59    60    61    62    63    64    65    69  
   66    71    72    82    91    95    96    67    68    73    74    84  
   60    61    62    63    64    65    69  
   61    62    63  
   62    63  
   63  
   64    65    69    70    75    76    77    78    79    80    81    86  
   65    69    70    75    79  
   69    70    75    79  
   71    72    82    83    90    91    92    95    96    67    68    73  
   68    73    74    84    85    71    95  
   73    74    84  
   70    75    76    77    78    79    80    81    86    87    88    89  
   75    76    77    78    79    80    81    86  
   72    82    83    90    91    95    96    93  
   82    83    90    95  
   74    84    85  
   84    85  
   76    77    78    79    80    81    86  
   77    78    79  
   78    79  
   79  
   80    81    86    87    88    89  
   81    86    87    88    89  
   86    87    88    89  
   83    90    91    92    95    93    94  
   90    91    93  
   85  
    0  
   87    88    89  
   88    89  
   89  
    0  
   91    92    95    96    93    94  
   92    95    96    93    94  
   95    96    93  
   94    95  
    0  
   96  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5500   0.0760  -1.259100   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   55   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0760  -0.063700   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   74   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   91   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   92   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   93   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   94   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   95   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   96   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   317.000  1.510
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    46   380.000  1.444
   46    48   549.000  1.340
   46    50   317.000  1.510
   48    49   340.000  1.080
   48    56   317.000  1.510
   56    57   340.000  1.090
   56    59   268.000  1.529
   56    63   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   268.000  1.529
   69    70   340.000  1.090
   69    75   268.000  1.529
   69    79   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   40    41   340.000  1.080
   40    44   465.000  1.376
   44    45   745.000  1.250
   44    47   465.000  1.376
   47    54   465.000  1.376
   47    84   410.000  1.444
   54    55   745.000  1.250
   54    58   465.000  1.376
   58    66   320.000  1.460
   58    67   549.000  1.340
   66    71   469.000  1.400
   66    95   469.000  1.400
   71    72   367.000  1.080
   71    82   469.000  1.400
   82    83   367.000  1.080
   82    90   469.000  1.400
   90    91   469.000  1.400
   90    93   450.000  1.364
   91    92   367.000  1.080
   91    95   469.000  1.400
   95    96   367.000  1.080
   93    94   553.000  0.945
   67    68   340.000  1.080
   67    73   400.000  1.384
   73    74   434.000  1.010
   73    84   490.000  1.335
   84    85   570.000  1.229
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    35.00000  117.00000
   33    40    44    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    70.00000  123.01800
   42    38    39    35.00000  120.00000
   42    46    48    70.00000  123.01800
   42    46    50    70.00000  124.00000
   46    42    43    35.00000  120.00000
   46    48    49    35.00000  120.00000
   46    48    56    70.00000  124.00000
   46    50    51    35.00000  109.50000
   46    50    52    35.00000  109.50000
   46    50    53    35.00000  109.50000
   48    56    57    35.00000  109.50000
   48    56    59    70.00000  112.02700
   48    56    63    70.00000  112.02700
   56    48    49    35.00000  117.00000
   56    59    60    37.50000  110.70000
   56    59    61    37.50000  110.70000
   56    59    62    37.50000  110.70000
   56    63    64    37.50000  110.70000
   56    63    65    37.50000  110.70000
   56    63    69    58.35000  112.70000
   59    56    57    37.50000  110.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   63    56    57    37.50000  110.70000
   63    56    59    58.35000  112.70000
   63    69    70    37.50000  110.70000
   63    69    75    58.35000  112.70000
   63    69    79    58.35000  112.70000
   65    63    64    33.00000  107.80000
   69    63    64    37.50000  110.70000
   69    63    65    37.50000  110.70000
   69    75    76    37.50000  110.70000
   69    75    77    37.50000  110.70000
   69    75    78    37.50000  110.70000
   69    79    80    37.50000  110.70000
   69    79    81    37.50000  110.70000
   69    79    86    58.35000  112.70000
   75    69    70    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    69    70    37.50000  110.70000
   79    69    75    58.35000  112.70000
   79    86    87    37.50000  110.70000
   79    86    88    37.50000  110.70000
   79    86    89    37.50000  110.70000
   81    79    80    33.00000  107.80000
   86    79    80    37.50000  110.70000
   86    79    81    37.50000  110.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   50    46    48    70.00000  124.00000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    44    45    65.00000  137.10300
   40    44    47    70.00000  123.01800
   44    40    41    40.00000  120.50800
   44    47    54    70.00000  117.34000
   44    47    84    60.00000  120.04000
   47    44    45    65.00000  137.10300
   47    54    55    65.00000  137.10300
   47    54    58    70.00000  123.01800
   47    84    73    80.00000  111.56200
   47    84    85    80.00000  125.30000
   54    58    66    60.00000  123.66000
   54    58    67    70.00000  117.34000
   58    54    55    65.00000  137.10300
   58    66    71    60.00000  118.70000
   58    66    95    60.00000  118.70000
   58    67    68    35.00000  120.00000
   58    67    73    75.00000  120.83300
   66    71    72    35.00000  120.00000
   66    71    82    63.00000  120.00000
   66    95    91    63.00000  120.00000
   66    95    96    35.00000  120.00000
   71    82    83    35.00000  120.00000
   71    82    90    63.00000  120.00000
   82    71    72    35.00000  120.00000
   82    90    91    63.00000  120.00000
   82    90    93    70.00000  120.00000
   90    82    83    35.00000  120.00000
   90    91    92    35.00000  120.00000
   90    91    95    63.00000  120.00000
   90    93    94    35.00000  113.00000
   91    95    96    35.00000  120.00000
   95    66    71    63.00000  120.00000
   95    91    92    35.00000  120.00000
   93    90    91    70.00000  120.00000
   67    58    66    60.00000  123.66000
   67    73    74    45.00000  117.55000
   67    73    84    70.00000  120.89900
   73    67    68    45.00000  111.09300
   73    84    85    80.00000  122.90000
   84    47    54    60.00000  120.04000
   84    73    74    35.00000  119.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   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    38    39   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.00000  1.0 1.0
   29    33    40    44   0.42700  1.0 1.0
   29    33    40    44  -0.70350 -1.0 2.0
   29    33    40    44  -0.43150  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    40    44    45   7.00000 -1.0 2.0
   33    40    44    47   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.33100  1.0 3.0
   34    33    40    44   0.00000  1.0 1.0
   38    33    40    41   0.00000  1.0 1.0
   38    33    40    44  -0.28300  1.0 1.0
   38    33    40    44   0.26700 -1.0 2.0
   38    33    40    44  -0.63300  1.0 3.0
   38    42    46    48   0.28850  1.0 1.0
   38    42    46    48   2.61350 -1.0 2.0
   38    42    46    48   0.78400  1.0 3.0
   38    42    46    50  -0.18600  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   42    46    48    49   7.00000 -1.0 2.0
   42    46    48    56   7.00000 -1.0 2.0
   42    46    50    51   0.00000  1.0 1.0
   42    46    50    52   0.00000  1.0 1.0
   42    46    50    53   0.00000  1.0 1.0
   43    42    46    48  -0.18600  1.0 3.0
   43    42    46    50   0.00000  1.0 1.0
   46    48    56    57   0.00000  1.0 1.0
   46    48    56    59   0.09850  1.0 1.0
   46    48    56    59   0.15250 -1.0 2.0
   46    48    56    59  -0.50650  1.0 3.0
   46    48    56    63   0.09850  1.0 1.0
   46    48    56    63   0.15250 -1.0 2.0
   46    48    56    63  -0.50650  1.0 3.0
   48    46    50    51   0.00000  1.0 1.0
   48    46    50    52   0.00000  1.0 1.0
   48    46    50    53   0.00000  1.0 1.0
   48    56    59    60   0.15000  1.0 3.0
   48    56    59    61   0.15000  1.0 3.0
   48    56    59    62   0.15000  1.0 3.0
   48    56    63    64   0.15000  1.0 3.0
   48    56    63    65   0.15000  1.0 3.0
   48    56    63    69   0.34400  1.0 1.0
   48    56    63    69   0.09450 -1.0 2.0
   48    56    63    69   0.11100  1.0 3.0
   49    48    56    57   0.33100  1.0 3.0
   49    48    56    59   0.00000  1.0 1.0
   49    48    56    63   0.00000  1.0 1.0
   56    63    69    70   0.15000  1.0 3.0
   56    63    69    75   0.56750  1.0 1.0
   56    63    69    75  -0.07550 -1.0 2.0
   56    63    69    75   0.20000  1.0 3.0
   56    63    69    79   0.56750  1.0 1.0
   56    63    69    79  -0.07550 -1.0 2.0
   56    63    69    79   0.20000  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    62   0.15000  1.0 3.0
   57    56    63    64   0.15000  1.0 3.0
   57    56    63    65   0.15000  1.0 3.0
   57    56    63    69   0.15000  1.0 3.0
   59    56    63    64   0.15000  1.0 3.0
   59    56    63    65   0.15000  1.0 3.0
   59    56    63    69   0.56750  1.0 1.0
   59    56    63    69  -0.07550 -1.0 2.0
   59    56    63    69   0.20000  1.0 3.0
   63    56    59    60   0.15000  1.0 3.0
   63    56    59    61   0.15000  1.0 3.0
   63    56    59    62   0.15000  1.0 3.0
   63    69    75    76   0.15000  1.0 3.0
   63    69    75    77   0.15000  1.0 3.0
   63    69    75    78   0.15000  1.0 3.0
   63    69    79    80   0.15000  1.0 3.0
   63    69    79    81   0.15000  1.0 3.0
   63    69    79    86   0.56750  1.0 1.0
   63    69    79    86  -0.07550 -1.0 2.0
   63    69    79    86   0.20000  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    75   0.15000  1.0 3.0
   64    63    69    79   0.15000  1.0 3.0
   65    63    69    70   0.15000  1.0 3.0
   65    63    69    75   0.15000  1.0 3.0
   65    63    69    79   0.15000  1.0 3.0
   69    79    86    87   0.15000  1.0 3.0
   69    79    86    88   0.15000  1.0 3.0
   69    79    86    89   0.15000  1.0 3.0
   70    69    75    76   0.15000  1.0 3.0
   70    69    75    77   0.15000  1.0 3.0
   70    69    75    78   0.15000  1.0 3.0
   70    69    79    80   0.15000  1.0 3.0
   70    69    79    81   0.15000  1.0 3.0
   70    69    79    86   0.15000  1.0 3.0
   75    69    79    80   0.15000  1.0 3.0
   75    69    79    81   0.15000  1.0 3.0
   75    69    79    86   0.56750  1.0 1.0
   75    69    79    86  -0.07550 -1.0 2.0
   75    69    79    86   0.20000  1.0 3.0
   79    69    75    76   0.15000  1.0 3.0
   79    69    75    77   0.15000  1.0 3.0
   79    69    75    78   0.15000  1.0 3.0
   80    79    86    87   0.15000  1.0 3.0
   80    79    86    88   0.15000  1.0 3.0
   80    79    86    89   0.15000  1.0 3.0
   81    79    86    87   0.15000  1.0 3.0
   81    79    86    88   0.15000  1.0 3.0
   81    79    86    89   0.15000  1.0 3.0
   50    46    48    49   7.00000 -1.0 2.0
   50    46    48    56   7.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.28300  1.0 1.0
   40    33    38    42   0.26700 -1.0 2.0
   40    33    38    42  -0.63300  1.0 3.0
   40    44    47    54   7.00000 -1.0 2.0
   40    44    47    84   7.00000 -1.0 2.0
   41    40    44    45   7.00000 -1.0 2.0
   41    40    44    47   7.00000 -1.0 2.0
   44    47    54    55   7.00000 -1.0 2.0
   44    47    54    58   7.00000 -1.0 2.0
   44    47    84    73   0.49500  1.0 1.0
   44    47    84    73   1.31600 -1.0 2.0
   44    47    84    73  -0.02300  1.0 3.0
   44    47    84    85   1.00000 -1.0 2.0
   45    44    47    54   7.00000 -1.0 2.0
   45    44    47    84   7.00000 -1.0 2.0
   47    54    58    66   7.00000 -1.0 2.0
   47    54    58    67   7.00000 -1.0 2.0
   54    47    84    73   0.49500  1.0 1.0
   54    47    84    73   1.31600 -1.0 2.0
   54    47    84    73  -0.02300  1.0 3.0
   54    47    84    85   1.00000 -1.0 2.0
   54    58    66    71   0.15800  1.0 1.0
   54    58    66    71   1.85350 -1.0 2.0
   54    58    66    71  -0.48700  1.0 3.0
   54    58    66    95   0.15800  1.0 1.0
   54    58    66    95   1.85350 -1.0 2.0
   54    58    66    95  -0.48700  1.0 3.0
   54    58    67    68   7.00000 -1.0 2.0
   54    58   -67    73   7.00000 -1.0 2.0
   55    54    58    66   7.00000 -1.0 2.0
   55    54    58    67   7.00000 -1.0 2.0
   58    66    71    72   3.62500 -1.0 2.0
   58    66    71    82   3.62500 -1.0 2.0
   58    66    95    91   3.62500 -1.0 2.0
   58    66    95    96   3.62500 -1.0 2.0
   58    67    73    74   0.78350 -1.0 2.0
   58    67    73    84  -0.18900  1.0 1.0
   58    67    73    84   1.70900 -1.0 2.0
   66    58    67    68   7.00000 -1.0 2.0
   66    58    67    73   7.00000 -1.0 2.0
   66    71    82    83   3.62500 -1.0 2.0
   66    71    82    90   3.62500 -1.0 2.0
   71    66    95    91   3.62500 -1.0 2.0
   71    66    95    96   3.62500 -1.0 2.0
   71    82   -90    91   3.62500 -1.0 2.0
   71    82    90    93   3.62500 -1.0 2.0
   72    71    82    83   3.62500 -1.0 2.0
   72    71    82    90   3.62500 -1.0 2.0
   82    90    91    92   3.62500 -1.0 2.0
   82    90    91    95   3.62500 -1.0 2.0
   82    90    93    94   0.84100 -1.0 2.0
   83    82    90    91   3.62500 -1.0 2.0
   83    82    90    93   3.62500 -1.0 2.0
   90    91   -95    66   3.62500 -1.0 2.0
   90    91    95    96   3.62500 -1.0 2.0
   91    90    93    94   0.84100 -1.0 2.0
   92    91    95    66   3.62500 -1.0 2.0
   92    91    95    96   3.62500 -1.0 2.0
   95    66    71    72   3.62500 -1.0 2.0
   95    66   -71    82   3.62500 -1.0 2.0
   93    90    91    92   3.62500 -1.0 2.0
   93    90    91    95   3.62500 -1.0 2.0
   67    58    66    71   0.15800  1.0 1.0
   67    58    66    71   1.85350 -1.0 2.0
   67    58    66    71  -0.48700  1.0 3.0
   67    58    66    95   0.15800  1.0 1.0
   67    58    66    95   1.85350 -1.0 2.0
   67    58    66    95  -0.48700  1.0 3.0
   67    73   -84    47   2.45000 -1.0 2.0
   67    73    84    85   2.67200 -1.0 2.0
   68    67    73    74   0.00000  1.0 1.0
   68    67    73    84   1.44600  1.0 1.0
   74    73    84    47   2.56700 -1.0 2.0
   74    73    84    85   2.45000 -1.0 2.0
   84    47    54    55   7.00000 -1.0 2.0
   84    47   -54    58   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42  15.00000 -1.0 2.0
   46    43    42    38  15.00000 -1.0 2.0
   42    50    46    48  15.00000 -1.0 2.0
   56    49    48    46  15.00000 -1.0 2.0
   33    41    40    44  15.00000 -1.0 2.0
   47    45    44    40  15.00000 -1.0 2.0
   44    84    47    54   1.10000 -1.0 2.0
   58    55    54    47   1.10000 -1.0 2.0
   54    66    58    67   1.10000 -1.0 2.0
   71    95    66    58   4.00000 -1.0 2.0
   82    72    71    66   1.10000 -1.0 2.0
   90    83    82    71   1.10000 -1.0 2.0
   91    93    90    82   4.00000 -1.0 2.0
   95    92    91    90   1.10000 -1.0 2.0
   91    96    95    66   1.10000 -1.0 2.0
   73    68    67    58   1.10000 -1.0 2.0
   74    84    73    67   1.00000 -1.0 2.0
   47    73    84    85  10.50000 -1.0 2.0
END
