* LIGAND DATABASE FILE (OPLS2005)
*
001      96    98    177    270     514
    1     0 S   NP   _N1_     1    28.75068    95.61535   -23.14828
    2     1 S   H    _HN1     2     1.02949    78.47648     2.14448
    3     1 S   H    _H1_     3     1.02828    32.91142   152.23496
    4     1 S   H    _H2_     4     1.02786   102.66387  -104.34185
    5     1 S   CT   _CA1     5     1.50111   137.93280   109.92018
    6     5 S   HC   _HA1     6     1.09573   105.19392    82.28724
    7     5 S   CO3  _C1_     7     1.53787   112.44854   -37.95126
    8     7 S   O2Z  _O11     8     1.26372   115.00799   -42.86764
    9     7 S   O2Z  _O12     9     1.26237   114.94435   136.24389
   10     5 S   CT   _CB1    10     1.53079   107.42170  -159.73079
   11    10 S   HC   HB11    11     1.09833   109.37490   -49.65589
   12    10 S   HC   HB12    12     1.09812   110.45355    66.95516
   13    10 S   CT   _CG1    13     1.52991   112.60076  -170.62204
   14    13 S   HC   HG11    14     1.09582   110.64278   -65.72172
   15    13 S   HC   HG12    15     1.09671   109.77353    53.50620
   16    13 S   C    _CD1    16     1.51807   112.20564   173.97123
   17    16 S   O    _OE1    17     1.22733   123.27596     7.55102
   18    16 S   N    _N2_    18     1.38645   111.65932  -172.52239
   19    18 S   H    _HN2    19     1.01589   118.99038     1.66130
   20    18 S   CT1  _CA2    20     1.46235   123.42548   177.65933
   21    20 S   HC   _HA2    21     1.09737   109.21181     5.77041
   22    20 S   C    _C2_    22     1.53650   109.59795  -109.81594
   23    22 S   O    _O2_    23     1.23094   122.02533  -155.91990
   24    20 S   CT   _CB2    32     1.53354   111.23630   127.61770
   25    24 S   HC   HB21    33     1.09290   109.55947    53.89661
   26    24 S   HC   HB22    34     1.09461   110.48525   173.64782
   27    22 S   N    _N3_    24     1.38219   114.13457    31.38453
   28    27 S   H    _HN3    25     1.01556   119.56621    -3.43627
   29    24 S   S    _SG2    35     1.82194   111.37878   -66.07268
   30    27 S   CT   _CA3    26     1.45275   123.26283   177.24814
   31    30 S   HC   HA31    27     1.09548   107.56118   -63.76241
   32    30 S   HC   HA32    28     1.09559   107.94122    52.68831
   33    29 S   CT   _C22    36     1.85439   100.09463  -174.77610
   34    33 S   HC   _H3_    37     1.09191   107.12230    46.38356
   35    30 S   CO3  _C3_    29     1.52961   114.03456   174.66722
   36    35 S   O2Z  _O31    30     1.26382   116.05490     0.25717
   37    35 S   O2Z  _O32    31     1.26423   114.42013  -179.68721
   38    33 S   CM   _C17    38     1.53447   110.56003   -75.62751
   39    38 S   CM   _C18    39     1.47142   112.70486   -75.90495
   40    39 S   HC   _H17    40     1.08690   117.23167   151.29320
   41    38 S   CMA  _C16    69     1.36437   126.61107   108.34118
   42    41 S   OM   _O34    70     1.26561   130.13025   177.90772
   43    39 S   CM   _C19    41     1.34850   121.41124   -29.63962
   44    43 S   I    I2__    42     2.08534   118.61642   177.04614
   45    41 S   C5B  _C9_    71     1.44711   120.78523     2.68628
   46    43 S   CM   _C20    43     1.46748   119.42819    -2.81453
   47    45 S   C56B _C10    72     1.43304   126.64942    68.44226
   48    45 S   C5A  _C8_    83     1.38849   127.20859  -112.43672
   49    33 S   CM   _C21    44     1.52558   106.99229   163.36324
   50    49 S   I    I1__    45     2.08676   116.99791   -88.35946
   51    46 S   OS   _O35    46     1.38160   117.03414  -162.37276
   52    47 S   CA   _C11    73     1.40906   135.93586     0.70721
   53    52 S   HA   _H13    74     1.08589   120.93232     0.82992
   54    48 S   CT   _C7_    84     1.48835   134.52253    -0.67811
   55    54 S   HC   _H11    85     1.09560   110.72301     4.00003
   56    54 S   HC   _H12    86     1.09627   108.17825   120.22315
   57    51 S   CT   _C23    47     1.43613   111.29291    87.14102
   58    57 S   HC   _H18    48     1.09695   110.22535    53.66917
   59    57 S   HC   _H19    49     1.09461   110.57631   -65.72805
   60    52 S   CA   _C12    75     1.40105   118.90767  -179.00870
   61    60 S   HA   _H14    76     1.08704   119.42556   179.82196
   62    54 S   CT   _C6_    87     1.53145   113.24398  -119.56060
   63    62 S   HC   _H9_    88     1.09720   110.20815   -55.51897
   64    62 S   HC   _H10    89     1.09733   108.13395  -171.70876
   65    57 S   CT   _C24    50     1.52552   108.06650   172.06012
   66    65 S   HC   _H20    51     1.09533   109.30894   -55.44895
   67    65 S   HC   _H21    52     1.09444   112.23660  -177.33464
   68    60 S   CA   _C13    77     1.39640   120.95163    -0.20463
   69    68 S   HA   _H15    78     1.08728   119.46464  -179.98022
   70    62 S   CT   _C5_    90     1.53032   113.20080    67.60126
   71    70 S   HC   _H7_    91     1.09553   110.32817   -62.09884
   72    70 S   HC   _H8_    92     1.09601   109.84815    56.15468
   73    65 S   NP   _N4_    53     1.52624   110.46525    62.11425
   74    73 S   H    _H22    54     1.03032   105.26073   -34.21076
   75    68 S   CA   _C14    79     1.39793   121.18141    -0.12033
   76    75 S   HA   _H16    80     1.08337   121.73754  -179.78511
   77    70 S   CT   _C4_    93     1.52096   111.37403   177.08442
   78    77 S   HC   _H4_    94     1.09467   111.02098   -60.29105
   79    77 S   HC   _H5_    95     1.09450   110.24771   180.00000
   80    77 S   HC   _H6_    96     1.09469   110.98410    60.24948
   81    73 S   CT   _C25    55     1.51794   112.31492    80.86667
   82    81 S   HC   _H23    56     1.09352   107.16586   -50.45449
   83    81 S   HC   _H24    57     1.09392   108.41432    66.50676
   84    73 S   CT   _C27    62     1.51868   112.12626  -147.42179
   85    84 S   HC   _H28    63     1.09570   106.75622    54.10682
   86    84 S   HC   _H29    64     1.09387   107.61054   168.91312
   87    47 S   C56A _C15    81     1.38919   105.82197  -178.82797
   88    81 S   CT   _C26    58     1.51734   111.41492  -169.76501
   89    88 S   HC   _H25    59     1.09392   111.70066   -70.28567
   90    88 S   HC   _H26    60     1.09431   111.53110    51.33265
   91    88 S   HC   _H27    61     1.09490   109.82049   170.96956
   92    84 S   CT   _C28    65     1.51727   112.65749   -67.84581
   93    92 S   HC   _H30    66     1.09373   111.79101   -64.84788
   94    92 S   HC   _H31    67     1.09390   111.94528    57.09136
   95    92 S   HC   _H32    68     1.09503   109.63766   176.36811
   96    87 S   OA   _O33    82     1.35947   110.42051    -0.93041
  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
  12   6   2   1   1  12   9   4  10   3   6   3  12   7  11  11
   3   1   7   8   4  11   6   5   9   5   4   6   3  10   5   4
  12   5   4   5   3   6   5   4  15   8   3   2   3   2   1   1
  10   6   5   7   5   4   1   3   2   1   1   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    46    49    50    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    46    49    50    51    41    42    45  
   38    39    46    49    50    41  
   36    37  
   37  
    0  
   39    40    43    44    46    49    50    41    42    45    47    48  
   40    43    44    46    49    51    41    42    45  
   43    44    46    41  
   42    45    47    52    87    96    48    54    43    49  
   45    47    48  
   44    46    49    50    51    57  
   46    49    51  
   47    52    53    60    75    87    96    48    54    55    56    62  
   49    50    51    57    58    59    65  
   52    53    60    61    68    75    76    87    96    48    54  
   54    55    56    62    63    64    70    52    75    87    96  
   50    51    57  
   51  
   57    58    59    65    66    67    73  
   53    60    61    68    69    75    87    96  
   60    61    68    87  
   55    56    62    63    64    70    71    72    77    87    96  
   56    62    63    64    70    96  
   62    63    64    70    96  
   58    59    65    66    67    73    74    81    84  
   59    65    66    67    73  
   65    66    67    73  
   61    68    69    75    76    87  
   68    69    75  
   63    64    70    71    72    77    78    79    80    96  
   64    70    71    72    77  
   70    71    72    77  
   66    67    73    74    81    82    83    88    84    85    86    92  
   67    73    74    81    84  
   73    74    81    84  
   69    75    76    87    96  
   75    76    87  
   71    72    77    78    79    80  
   72    77    78    79    80  
   77    78    79    80  
   74    81    82    83    88    89    90    91    84    85    86    92    93    94    95  
   81    82    83    88    84    85    86    92  
   76    87    96  
   87    96  
   78    79    80  
   79    80  
   80  
    0  
   82    83    88    89    90    91    84    85    86    92  
   83    88    89    90    91    84  
   88    89    90    91    84  
   85    86    92    93    94    95    88  
   86    92    93    94    95  
   92    93    94    95  
   96  
   89    90    91  
   90    91  
   91  
    0  
   93    94    95  
   94    95  
   95  
    0  
    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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0760   0.154400   2.0020   1.7750   0.023028004  -0.852763146
   44   3.7500   0.6000  -0.154400   2.1120   1.8750   0.001000000  -0.848554734
   45   3.5500   0.0700  -0.272700   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5500   0.0700   0.258100   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.136300   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0760   0.154400   2.0020   1.7750   0.023028004  -0.852763146
   50   3.7500   0.6000  -0.154400   2.1120   1.8750   0.001000000  -0.848554734
   51   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   52   3.5500   0.0700  -0.303800   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.193000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.364400   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.192500   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.157100   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.074400   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.122800   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.149800   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   74   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0700  -0.324500   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.195500   1.3810   1.2100   0.030040813   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   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   84   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   87   3.5500   0.0700   0.323000   2.5000   1.7750   0.001000000  -0.843144165
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   96   3.0000   0.1700  -0.311500   1.7000   1.5000   0.001000000  -0.126889456
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    49   317.000  1.510
   38    39   380.000  1.444
   38    41   465.000  1.376
   39    40   340.000  1.080
   39    43   549.000  1.340
   43    44   100.000  2.157
   43    46   380.000  1.444
   46    49   549.000  1.340
   46    51   440.000  1.360
   49    50   100.000  2.157
   51    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    73   367.000  1.471
   73    74   434.000  1.010
   73    81   367.000  1.471
   73    84   367.000  1.471
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    88   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    92   268.000  1.529
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   41    42   745.000  1.250
   41    45   320.000  1.460
   45    47   380.000  1.440
   45    48   520.000  1.370
   47    52   469.000  1.404
   47    87   447.000  1.419
   52    53   367.000  1.080
   52    60   469.000  1.400
   60    61   367.000  1.080
   60    68   469.000  1.400
   68    69   367.000  1.080
   68    75   469.000  1.400
   75    76   367.000  1.080
   75    87   469.000  1.400
   87    96   425.000  1.380
   96    48   340.000  1.360
   48    54   295.000  1.489
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   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    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    49    75.00000  112.20000
   33    38    39    70.00000  124.00000
   33    38    41    70.00000  124.00000
   33    49    46    70.00000  124.00000
   33    49    50    60.00000  117.00000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  120.00000
   38    39    43    70.00000  123.01800
   38    41    42    65.00000  137.10300
   38    41    45    60.00000  123.20500
   39    43    44    60.00000  117.48000
   39    43    46    70.00000  123.01800
   43    39    40    35.00000  120.00000
   43    46    49    70.00000  123.01800
   43    46    51    80.00000  120.01400
   46    43    44    60.00000  117.48000
   46    49    50    60.00000  117.48000
   46    51    57    90.00000  111.18400
   49    33    34    35.00000  109.50000
   49    33    38    70.00000  110.12100
   51    46    49    80.00000  120.01400
   51    57    58    35.00000  109.50000
   51    57    59    35.00000  109.50000
   51    57    65    50.00000  109.50000
   57    65    66    37.50000  110.70000
   57    65    67    37.50000  110.70000
   57    65    73    80.00000  111.20000
   59    57    58    33.00000  107.80000
   65    57    58    37.50000  110.70000
   65    57    59    37.50000  110.70000
   65    73    74    35.00000  109.50000
   65    73    81    75.00000  113.01200
   65    73    84    75.00000  113.01200
   67    65    66    33.00000  107.80000
   73    65    66    35.00000  109.50000
   73    65    67    35.00000  109.50000
   73    81    82    35.00000  109.50000
   73    81    83    35.00000  109.50000
   73    81    88    80.00000  111.20000
   73    84    85    35.00000  109.50000
   73    84    86    35.00000  109.50000
   73    84    92    80.00000  111.20000
   81    73    74    35.00000  109.50000
   81    88    89    37.50000  110.70000
   81    88    90    37.50000  110.70000
   81    88    91    37.50000  110.70000
   83    81    82    33.00000  107.80000
   88    81    82    37.50000  110.70000
   88    81    83    37.50000  110.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   84    73    74    35.00000  109.50000
   84    73    81    75.00000  113.01200
   84    92    93    37.50000  110.70000
   84    92    94    37.50000  110.70000
   84    92    95    37.50000  110.70000
   86    84    85    33.00000  107.80000
   92    84    85    37.50000  110.70000
   92    84    86    37.50000  110.70000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   41    38    39    70.00000  117.34000
   41    45    47    65.00000  117.00000
   41    45    48    65.00000  117.00000
   45    41    42    85.00000  114.86500
   45    47    52    50.00000  134.85500
   45    47    87    80.00000  107.43600
   45    48    96    70.00000  108.00000
   45    48    54    55.00000  130.44200
   47    52    53    35.00000  120.00000
   47    52    60    63.00000  120.00000
   47    87    75    85.00000  122.70000
   47    87    96   100.00000  108.43400
   52    60    61    35.00000  120.00000
   52    60    68    63.00000  120.00000
   60    52    53    35.00000  120.00000
   60    68    69    35.00000  120.00000
   60    68    75    63.00000  120.00000
   68    60    61    35.00000  120.00000
   68    75    76    35.00000  120.00000
   68    75    87    85.00000  120.00000
   75    68    69    35.00000  120.00000
   75    87    96    70.00000  124.10000
   87    47    52    85.00000  116.20000
   87    75    76    35.00000  120.00000
   87    96    48   110.00000  105.28000
   96    48    54    80.00000  116.10000
   48    45    47    80.00000  105.82900
   48    54    55    45.00000  110.47400
   48    54    56    45.00000  110.47400
   48    54    62    70.00000  113.44400
   54    62    63    37.50000  110.70000
   54    62    64    37.50000  110.70000
   54    62    70    58.35000  112.70000
   56    54    55    33.00000  107.80000
   62    54    55    37.50000  110.70000
   62    54    56    37.50000  110.70000
   62    70    71    37.50000  110.70000
   62    70    72    37.50000  110.70000
   62    70    77    58.35000  112.70000
   64    62    63    33.00000  107.80000
   70    62    63    37.50000  110.70000
   70    62    64    37.50000  110.70000
   70    77    78    37.50000  110.70000
   70    77    79    37.50000  110.70000
   70    77    80    37.50000  110.70000
   72    70    71    33.00000  107.80000
   77    70    71    37.50000  110.70000
   77    70    72    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
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    49  -0.62250  1.0 1.0
   24    29    33    49  -0.38450 -1.0 2.0
   24    29    33    49   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    49    46   0.42700  1.0 1.0
   29    33    49    46  -0.70350 -1.0 2.0
   29    33    49    46  -0.43150  1.0 3.0
   29    33    49    50   0.09700  1.0 1.0
   29    33    49    50   0.15600 -1.0 2.0
   29    33    49    50  -0.50800  1.0 3.0
   33    38    39    40   0.00000  1.0 1.0
   33    38    39    43  -0.18600  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    45   7.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    49    46   0.00000  1.0 1.0
   34    33    49    50   0.00000  1.0 1.0
   38    33    49    46  -0.28300  1.0 1.0
   38    33    49    46   0.26700 -1.0 2.0
   38    33    49    46  -0.63300  1.0 3.0
   38    33    49    50   0.09700  1.0 1.0
   38    33    49    50   0.15600 -1.0 2.0
   38    33    49    50  -0.50800  1.0 3.0
   38    39    43    44   7.00000 -1.0 2.0
   38    39   -43    46   7.00000 -1.0 2.0
   38    41    45    47   0.15800  1.0 1.0
   38    41    45    47   1.85350 -1.0 2.0
   38    41    45    47  -0.48700  1.0 3.0
   38    41    45    48   0.15800  1.0 1.0
   38    41    45    48   1.85350 -1.0 2.0
   38    41    45    48  -0.48700  1.0 3.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    45   7.00000 -1.0 2.0
   39    43    46    49   0.28850  1.0 1.0
   39    43    46    49   2.61350 -1.0 2.0
   39    43    46    49   0.78400  1.0 3.0
   39    43    46    51  -0.51250  1.0 1.0
   39    43    46    51   1.23350 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    46   7.00000 -1.0 2.0
   43    46   -49    33   7.00000 -1.0 2.0
   43    46    49    50   7.00000 -1.0 2.0
   43    46    51    57  -2.26850  1.0 1.0
   43    46    51    57   3.39050 -1.0 2.0
   44    43    46    49  -0.18600  1.0 3.0
   44    43    46    51   1.08500 -1.0 2.0
   46    51    57    58   0.08050  1.0 3.0
   46    51    57    59   0.08050  1.0 3.0
   46    51    57    65  -0.46850  1.0 1.0
   46    51    57    65   0.09300 -1.0 2.0
   46    51    57    65  -0.12850  1.0 3.0
   49    33   -38    39  -0.28300  1.0 1.0
   49    33   -38    39   0.26700 -1.0 2.0
   49    33   -38    39  -0.63300  1.0 3.0
   49    33    38    41  -0.28300  1.0 1.0
   49    33    38    41   0.26700 -1.0 2.0
   49    33    38    41  -0.63300  1.0 3.0
   49    46    51    57  -2.26850  1.0 1.0
   49    46    51    57   3.39050 -1.0 2.0
   51    46    49    33   7.00000 -1.0 2.0
   51    46    49    50   7.00000 -1.0 2.0
   51    57    65    66   0.23400  1.0 3.0
   51    57    65    67   0.23400  1.0 3.0
   51    57    65    73   1.69300  1.0 1.0
   51    57    65    73  -0.48450 -1.0 2.0
   57    65    73    74   0.17350  1.0 3.0
   57    65    73    81   0.47100  1.0 1.0
   57    65    73    84   0.47100  1.0 1.0
   58    57    65    66   0.15000  1.0 3.0
   58    57    65    67   0.15000  1.0 3.0
   58    57    65    73   0.19200  1.0 3.0
   59    57    65    66   0.15000  1.0 3.0
   59    57    65    67   0.15000  1.0 3.0
   59    57    65    73   0.19200  1.0 3.0
   65    73    81    82   0.15000  1.0 3.0
   65    73    81    83   0.15000  1.0 3.0
   65    73    81    88   0.47100  1.0 1.0
   65    73    84    85   0.15000  1.0 3.0
   65    73    84    86   0.15000  1.0 3.0
   65    73    84    92   0.47100  1.0 1.0
   66    65    73    74   0.13050  1.0 3.0
   66    65    73    81   0.15000  1.0 3.0
   66    65    73    84   0.15000  1.0 3.0
   67    65    73    74   0.13050  1.0 3.0
   67    65    73    81   0.15000  1.0 3.0
   67    65    73    84   0.15000  1.0 3.0
   73    81    88    89   0.19200  1.0 3.0
   73    81    88    90   0.19200  1.0 3.0
   73    81    88    91   0.19200  1.0 3.0
   73    84    92    93   0.19200  1.0 3.0
   73    84    92    94   0.19200  1.0 3.0
   73    84    92    95   0.19200  1.0 3.0
   74    73    81    82   0.13050  1.0 3.0
   74    73    81    83   0.13050  1.0 3.0
   74    73    81    88   0.17350  1.0 3.0
   74    73    84    85   0.13050  1.0 3.0
   74    73    84    86   0.13050  1.0 3.0
   74    73    84    92   0.17350  1.0 3.0
   81    73    84    85   0.15000  1.0 3.0
   81    73    84    86   0.15000  1.0 3.0
   81    73    84    92   0.47100  1.0 1.0
   82    81    88    89   0.15000  1.0 3.0
   82    81    88    90   0.15000  1.0 3.0
   82    81    88    91   0.15000  1.0 3.0
   83    81    88    89   0.15000  1.0 3.0
   83    81    88    90   0.15000  1.0 3.0
   83    81    88    91   0.15000  1.0 3.0
   84    73    81    82   0.15000  1.0 3.0
   84    73    81    83   0.15000  1.0 3.0
   84    73    81    88   0.47100  1.0 1.0
   85    84    92    93   0.15000  1.0 3.0
   85    84    92    94   0.15000  1.0 3.0
   85    84    92    95   0.15000  1.0 3.0
   86    84    92    93   0.15000  1.0 3.0
   86    84    92    94   0.15000  1.0 3.0
   86    84    92    95   0.15000  1.0 3.0
   41    38    39    40  -0.18600  1.0 3.0
   41    38    39    43   0.28850  1.0 1.0
   41    38    39    43   2.61350 -1.0 2.0
   41    38    39    43   0.78400  1.0 3.0
   41    45    47    52   3.62500 -1.0 2.0
   41    45    47    87   3.62500 -1.0 2.0
   41    45    48    96   3.62500 -1.0 2.0
   41    45    48    54   3.62500 -1.0 2.0
   42    41    45    47  -0.01750  1.0 1.0
   42    41    45    47  -0.32000 -1.0 2.0
   42    41    45    47   0.00600  1.0 3.0
   42    41    45    48  -0.01750  1.0 1.0
   42    41    45    48  -0.32000 -1.0 2.0
   42    41    45    48   0.00600  1.0 3.0
   45    47    52    53   3.62500 -1.0 2.0
   45    47    52    60   3.62500 -1.0 2.0
   45    47    87    75   3.00000 -1.0 2.0
   45    47   -87    96   3.62500 -1.0 2.0
   45    48    54    55   0.00000  1.0 1.0
   45    48    54    56   0.00000  1.0 1.0
   45    48    54    62   0.04150 -1.0 2.0
   47    45   -48    96   3.62500 -1.0 2.0
   47    45    48    54   3.62500 -1.0 2.0
   47    52    60    61   3.62500 -1.0 2.0
   47    52    60    68   3.62500 -1.0 2.0
   47    87   -96    48   3.62500 -1.0 2.0
   52    47    87    75   3.00000 -1.0 2.0
   52    47    87    96   3.62500 -1.0 2.0
   52    60    68    69   3.62500 -1.0 2.0
   52    60   -68    75   3.62500 -1.0 2.0
   53    52    60    61   3.62500 -1.0 2.0
   53    52    60    68   3.62500 -1.0 2.0
   60    68    75    76   3.62500 -1.0 2.0
   60    68    75    87   3.62500 -1.0 2.0
   61    60    68    69   3.62500 -1.0 2.0
   61    60    68    75   3.62500 -1.0 2.0
   68    75   -87    47   3.62500 -1.0 2.0
   68    75    87    96   3.62500 -1.0 2.0
   69    68    75    76   3.62500 -1.0 2.0
   69    68    75    87   3.62500 -1.0 2.0
   75    87    96    48   3.62500 -1.0 2.0
   76    75    87    47   3.62500 -1.0 2.0
   76    75    87    96   3.62500 -1.0 2.0
   87    47    52    53   3.50000 -1.0 2.0
   87    47   -52    60   3.50000 -1.0 2.0
   87    96   -48    45   3.62500 -1.0 2.0
   87    96    48    54   3.62500 -1.0 2.0
   96    48    54    55   0.00000  1.0 1.0
   96    48    54    56   0.00000  1.0 1.0
   96    48    54    62   0.38650  1.0 1.0
   96    48    54    62  -0.24750 -1.0 2.0
   96    48    54    62   0.76750  1.0 3.0
   48    45    47    52   3.62500 -1.0 2.0
   48    45   -47    87   3.50000 -1.0 2.0
   48    54    62    63   0.43200  1.0 3.0
   48    54    62    64   0.43200  1.0 3.0
   48    54    62    70  -0.03700  1.0 1.0
   48    54    62    70   0.37200 -1.0 2.0
   48    54    62    70  -0.47300  1.0 3.0
   54    62    70    71   0.15000  1.0 3.0
   54    62    70    72   0.15000  1.0 3.0
   54    62    70    77   0.56750  1.0 1.0
   54    62    70    77  -0.07550 -1.0 2.0
   54    62    70    77   0.20000  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    64   0.15000  1.0 3.0
   55    54    62    70   0.15000  1.0 3.0
   56    54    62    63   0.15000  1.0 3.0
   56    54    62    64   0.15000  1.0 3.0
   56    54    62    70   0.15000  1.0 3.0
   62    70    77    78   0.15000  1.0 3.0
   62    70    77    79   0.15000  1.0 3.0
   62    70    77    80   0.15000  1.0 3.0
   63    62    70    71   0.15000  1.0 3.0
   63    62    70    72   0.15000  1.0 3.0
   63    62    70    77   0.15000  1.0 3.0
   64    62    70    71   0.15000  1.0 3.0
   64    62    70    72   0.15000  1.0 3.0
   64    62    70    77   0.15000  1.0 3.0
   71    70    77    78   0.15000  1.0 3.0
   71    70    77    79   0.15000  1.0 3.0
   71    70    77    80   0.15000  1.0 3.0
   72    70    77    78   0.15000  1.0 3.0
   72    70    77    79   0.15000  1.0 3.0
   72    70    77    80   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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41   1.10000 -1.0 2.0
   38    40    39    43   1.10000 -1.0 2.0
   46    44    43    39   1.10000 -1.0 2.0
   43    51    46    49   1.10000 -1.0 2.0
   33    50    49    46   1.10000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   47    48    45    41   4.00000 -1.0 2.0
   52    87    47    45   4.00000 -1.0 2.0
   60    53    52    47   1.10000 -1.0 2.0
   68    61    60    52   1.10000 -1.0 2.0
   75    69    68    60   1.10000 -1.0 2.0
   87    76    75    68   1.10000 -1.0 2.0
   75    96    87    47   4.00000 -1.0 2.0
   96    54    48    45   4.00000 -1.0 2.0
END
