* LIGAND DATABASE FILE (OPLS2005)
*
001      99   104    200    332     601
    1     0 S   NP   _N1_     1    29.31176    91.91949   -18.05729
    2     1 S   H    _HN1     2     1.02777    75.21078   -75.01742
    3     1 S   H    _H1_     3     1.02938   112.94493    28.95521
    4     1 S   H    _H2_     4     1.02833    33.19007   115.17207
    5     1 S   CT   _CA1     5     1.50168   130.45171   178.17062
    6     5 S   HC   _HA1     6     1.09585   105.12487    27.60394
    7     5 S   CO3  _C1_     7     1.53806   112.35470   -92.30170
    8     7 S   O2Z  _O11     8     1.26355   115.03773   -43.36695
    9     7 S   O2Z  _O12     9     1.26240   114.89251   135.44800
   10     5 S   CT   _CB1    10     1.53070   107.37858   145.26798
   11    10 S   HC   HB11    11     1.09811   109.18125   -50.87565
   12    10 S   HC   HB12    12     1.09792   110.52295    65.66117
   13    10 S   CT   _CG1    13     1.52994   112.74121  -172.12493
   14    13 S   HC   HG11    14     1.09603   110.14018   -64.53426
   15    13 S   HC   HG12    15     1.09632   110.22427    54.63439
   16    13 S   C    _CD1    16     1.51865   112.19780   174.65500
   17    16 S   O    _OE1    17     1.22756   123.14710   -12.21311
   18    16 S   N    _N2_    18     1.38552   111.71769   168.58047
   19    18 S   H    _HN2    19     1.01601   118.94719    -0.46897
   20    18 S   CT1  _CA2    20     1.46440   123.64064  -176.63262
   21    20 S   HC   _HA2    21     1.09741   109.29235   -18.01634
   22    20 S   C    _C2_    22     1.53437   108.59257  -133.77598
   23    22 S   O    _O2_    23     1.23019   122.26579  -149.20620
   24    20 S   CT   _CB2    32     1.53849   110.83049   104.14413
   25    24 S   HC   HB21    33     1.09156   107.74226    52.16807
   26    24 S   HC   HB22    34     1.09400   110.66050   171.18543
   27    22 S   N    _N3_    24     1.38525   113.36415    38.51180
   28    27 S   H    _HN3    25     1.01539   118.79857    -1.14055
   29    24 S   S    _SG2    35     1.82655   110.29558   -69.18025
   30    27 S   CT   _CA3    26     1.45436   123.59343   175.06874
   31    30 S   HC   HA31    27     1.09519   109.38549    21.36625
   32    30 S   HC   HA32    28     1.09505   107.08716   138.38043
   33    29 S   CT   _C10    36     1.94921   105.90284   166.60604
   34    30 S   CO3  _C3_    29     1.52913   113.00843  -102.22152
   35    34 S   O2Z  _O31    30     1.26421   115.37696   -45.70471
   36    34 S   O2Z  _O32    31     1.26355   115.01268   135.23536
   37    33 S   CT   _C11    37     1.59454   111.19205    -9.57282
   38    37 S   OM   _O36    38     1.32005   112.25900   -81.12076
   39    37 S   HC   _H4_    39     1.09837   105.86710    49.04864
   40    33 S   CT   _C9_    62     1.67930   102.74462  -136.53258
   41    37 S   CO4  _C12    40     1.54302   117.22892   158.83397
   42    41 S   O    _O33    41     1.23111   124.41878   154.94765
   43    40 S   CO4  _C18    63     1.59684   114.27157    49.86727
   44    43 S   O    _O37    64     1.23152   124.50184    15.77483
   45    40 S   CT   _C29    92     1.55127   111.59096   168.16759
   46    45 S   HC   _H30    93     1.09181   112.68885    95.65352
   47    45 S   HC   _H31    94     1.08802   113.66752   -25.60608
   48    45 S   HC   _H32    95     1.09388   112.73858  -143.07798
   49    41 S   OS   _O34    42     1.35084   115.88434   -34.75221
   50    43 S   CT   _C19    65     1.53035   118.25934  -165.73331
   51    50 S   HC   _H18    66     1.09598   108.07066   173.38153
   52    50 S   HC   _H19    67     1.09177   110.41665   -69.54633
   53    49 S   CT   _C13    43     1.43777   121.77217    37.60239
   54    53 S   HC   _H5_    44     1.08909   105.26705    68.82083
   55    50 S   CT   _C20    68     1.50746   107.28051    54.98304
   56    55 S   HC   _H6_    69     1.10377   104.97686    50.82034
   57    53 S   C5BC _C14    45     1.51156   108.03962   179.78330
   58    33 S   CT   _C5_    53     1.62843   106.42063   105.61405
   59    88 S   CT   _C21    70     1.57298   115.55168  -163.20873
   60    55 S   CT   _C26    83     1.53141   121.62513   169.31281
   61    57 S   C5BC _C15    46     1.42653   127.95952    39.17873
   62    61 S   HA   _H15    47     1.08098   127.30914     1.46607
   63    58 S   CT   _C6_    54     1.54999   111.70932    65.73481
   64    63 S   HC   _H11    55     1.09790   110.08959   -68.81857
   65    63 S   HC   _H12    56     1.09647   110.80834   176.69779
   66    59 S   CT   _C22    71     1.53719   115.99607   -63.46717
   67    66 S   HC   _H20    72     1.09289   113.19342  -176.20889
   68    66 S   HC   _H21    73     1.08649   113.84801   -57.00114
   69    60 S   CT   _C27    84     1.52853   115.64225    27.30506
   70    69 S   HC   _H24    85     1.09615   110.54826   170.83134
   71    69 S   HC   _H25    86     1.09156   112.81592    52.24516
   72    69 S   HC   _H26    87     1.09524   111.37200   -68.77768
   73    60 S   CT   _C28    88     1.53538   111.40635   -96.94230
   74    73 S   HC   _H27    89     1.09618   110.77327  -175.22718
   75    73 S   HC   _H28    90     1.09333   111.46996    63.84791
   76    73 S   HC   _H29    91     1.09613   111.32153   -57.54489
   77    58 S   CT   _C4_    96     1.56471   112.48258   -53.07049
   78    77 S   HC   _H8_    97     1.09332   112.76896   -62.94348
   79    77 S   HC   _H9_    98     1.09547   111.16352   176.99137
   80    77 S   HC   _H10    99     1.09293   112.85949    59.71651
   81    61 S   C5A  _C16    48     1.37424   106.72841  -178.61266
   82    81 S   HA   _H16    49     1.08021   133.82581  -179.67615
   83    63 S   CT   _C7_    57     1.52128   114.32387    53.67236
   84    83 S   HC   _H13    58     1.09159   110.90138    63.63162
   85    83 S   HC   _H14    59     1.09329   106.37596   179.19061
   86    66 S   OS   _O38    74     1.43326   111.43791    65.04132
   87    81 S   OA   _O35    50     1.35627   110.46263     0.82377
   88    83 S   CT   _C8_    60     1.52657   110.56361   -61.22235
   89    88 S   HC   _H3_    61     1.09897   103.32432   -52.14466
   90    86 S   CO4  _C23    75     1.35199   119.09633    55.45617
   91    90 S   O    _O39    76     1.22935   121.06419   165.33699
   92    57 S   C5A  _C17    51     1.38280   127.13282  -137.56528
   93    92 S   HA   _H17    52     1.08070   133.44760    -1.42161
   94    90 S   CT   _C24    77     1.51172   118.01335   -16.77594
   95    94 S   HC   _H22    78     1.09611   107.27599   119.25647
   96    94 S   HC   _H23    79     1.09726   105.37399  -126.10153
   97    59 S   CT   _C25    80     1.53145   117.17035    59.80502
   98    97 S   HC   _H7_    81     1.09791   112.00160    40.56506
   99    97 S   OS   _O40    82     1.46068   103.82752   154.70442
  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  13   5   4   3
  29   2   1   1  13   6   5  23   6   2  16   6   9   3   2   1
   8  12   5   4  17   6  22   8  10  13  20  14   6   4  11   6
   5  12   5   4   9   4   3   2   5   3   2   1   4   2   1   1
   4   2   5   3   2   7   2   5   1   7   4   1   1   5   4   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    58    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    53    58    63    88    40    43    45    77  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    42    49    53    54    57    58    63    64    65    83    88    89    40    43    44    50    59    45    46    47    48    77    78    79    80  
   35    36  
   36  
    0  
   38    39    41    42    49    53    58    63    88    40    43    45    77  
   39    41    42    49    58    40  
   41    42    49    58    40  
   43    44    50    51    52    55    59    66    97    45    46    47    48    77    41    53    58    63    83    84    85    88    89  
   42    49    53    54    57    58  
   49    53  
   44    50    51    52    55    56    59    60    45    46    47    48    58    83    88    89  
   50    51    52    55    45    88  
   46    47    48    50    58    59    83    88    89  
   47    48    88  
   48    88  
   88  
   53    54    57    61    92    58    63    77  
   51    52    55    56    59    66    97    99    60    69    73    88  
   52    55    56    59    60  
   55    56    59    60  
   54    57    61    62    81    87    92    93    58    63    64    65    83    77    78    79    80  
   57    61    92    58    63    77  
   56    59    66    67    68    86    94    97    98    99    60    69    70    71    72    73    74    75    76    83    88    89  
   59    66    97    99    60    69    73    88  
   61    62    81    82    87    92    93    58    63    77  
   63    64    65    83    84    85    88    77    78    79    80    61    92  
   66    67    68    86    90    94    95    96    97    98    99    60    69    73    63    83    84    85    88    89  
   69    70    71    72    73    74    75    76    66    88    94    97    98    99  
   62    81    82    87    92    93  
   81    82    87    92  
   64    65    83    84    85    88    89    77    78    79    80  
   65    83    84    85    88    77  
   83    84    85    88    77  
   67    68    86    90    91    94    97    98    99    83    88    89  
   68    86    90    97    88  
   86    90    97    88  
   70    71    72    73    74    75    76    97    99  
   71    72    73    99  
   72    73    99  
   73    99  
   74    75    76    97    99  
   75    76    99  
   76    99  
   99  
   78    79    80    83  
   79    80  
   80  
    0  
   82    87    92    93  
   87    92  
   84    85    88    89    97  
   85    88    89  
   88    89  
   90    91    94    95    96    97    88  
   92    93  
   89    94    97    98    99  
   97  
   91    94    95    96    97    98    99  
   94    95    96    97  
   93  
    0  
   95    96    97    98    99  
   96    97    98    99  
   97    98    99  
   98    99  
   99  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   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   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   87   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   88   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   92   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   93   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   99   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
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   268.000  1.529
   33    58   268.000  1.529
   33    40   268.000  1.529
   37    38   570.000  1.307
   37    39   340.000  1.090
   37    41   317.000  1.522
   41    42   570.000  1.229
   41    49   214.000  1.327
   49    53   320.000  1.410
   53    54   340.000  1.090
   53    57   285.000  1.502
   53    58   268.000  1.529
   57    61   469.000  1.424
   57    92   546.000  1.367
   61    62   367.000  1.080
   61    81   546.000  1.367
   81    82   367.000  1.080
   81    87   340.000  1.360
   87    92   340.000  1.360
   92    93   367.000  1.080
   58    63   268.000  1.529
   58    77   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    88   268.000  1.529
   88    89   340.000  1.090
   88    40   268.000  1.529
   88    59   268.000  1.529
   40    43   317.000  1.522
   40    45   268.000  1.529
   43    44   570.000  1.229
   43    50   317.000  1.522
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    60   268.000  1.529
   59    66   268.000  1.529
   59    97   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    86   320.000  1.410
   86    90   214.000  1.327
   90    91   570.000  1.229
   90    94   317.000  1.522
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   268.000  1.529
   97    98   340.000  1.090
   97    99   320.000  1.410
   99    60   320.000  1.410
   60    69   268.000  1.529
   60    73   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   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    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  111.63000
   29    33    58    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    50.00000  109.50000
   33    37    39    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    58    53    58.35000  112.70000
   33    58    63    58.35000  112.70000
   33    58    77    58.35000  112.70000
   33    40    88    58.35000  112.70000
   33    40    43    63.00000  111.10000
   33    40    45    58.35000  112.70000
   37    41    42    80.00000  120.40000
   37    41    49    81.00000  111.40000
   39    37    38    45.00000  125.66300
   41    37    38    90.00000  108.74100
   41    37    39    35.00000  109.50000
   41    49    53    83.00000  116.90000
   49    41    42    83.00000  123.40000
   49    53    54    35.00000  109.50000
   49    53    57    85.00000  111.85700
   49    53    58    50.00000  109.50000
   53    57    61    60.00000  130.00000
   53    57    92    60.00000  130.00000
   53    58    63    58.35000  112.70000
   53    58    77    58.35000  112.70000
   57    53    54    35.00000  109.50000
   57    61    62    35.00000  127.50000
   57    61    81    70.00000  107.30000
   57    92    87    70.00000  110.60000
   57    92    93    35.00000  132.10000
   61    81    82    35.00000  132.10000
   61    81    87    70.00000  110.60000
   81    61    62    35.00000  125.70000
   81    87    92    70.00000  106.50000
   87    81    82    35.00000  113.40000
   87    92    93    35.00000  113.40000
   92    57    61    70.00000  107.30000
   58    33    37    58.35000  112.70000
   58    53    54    37.50000  110.70000
   58    53    57    70.00000  112.17500
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    83    58.35000  112.70000
   58    77    78    37.50000  110.70000
   58    77    79    37.50000  110.70000
   58    77    80    37.50000  110.70000
   63    83    84    37.50000  110.70000
   63    83    85    37.50000  110.70000
   63    83    88    58.35000  112.70000
   65    63    64    33.00000  107.80000
   83    63    64    37.50000  110.70000
   83    63    65    37.50000  110.70000
   83    88    89    37.50000  110.70000
   83    88    40    58.35000  112.70000
   83    88    59    58.35000  112.70000
   85    83    84    33.00000  107.80000
   88    83    84    37.50000  110.70000
   88    83    85    37.50000  110.70000
   88    40    43    63.00000  111.10000
   88    40    45    58.35000  112.70000
   88    59    55    58.35000  112.70000
   88    59    66    58.35000  112.70000
   88    59    97    58.35000  112.70000
   40    33    37    58.35000  112.70000
   40    33    58    58.35000  112.70000
   40    88    89    37.50000  110.70000
   40    43    44    80.00000  120.40000
   40    43    50    70.00000  116.00000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    48    37.50000  110.70000
   43    50    51    35.00000  109.50000
   43    50    52    35.00000  109.50000
   43    50    55    63.00000  111.10000
   50    43    44    80.00000  120.40000
   50    55    56    37.50000  110.70000
   50    55    59    58.35000  112.70000
   50    55    60    58.35000  112.70000
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    59    66    58.35000  112.70000
   55    59    97    58.35000  112.70000
   55    60    99    50.00000  109.50000
   55    60    69    58.35000  112.70000
   55    60    73    58.35000  112.70000
   59    88    89    37.50000  110.70000
   59    88    40    58.35000  112.70000
   59    55    56    37.50000  110.70000
   59    66    67    37.50000  110.70000
   59    66    68    37.50000  110.70000
   59    66    86    50.00000  109.50000
   59    97    94    58.35000  112.70000
   59    97    98    37.50000  110.70000
   59    97    99    50.00000  109.50000
   66    86    90    83.00000  116.90000
   68    66    67    33.00000  107.80000
   86    66    67    35.00000  109.50000
   86    66    68    35.00000  109.50000
   86    90    91    83.00000  123.40000
   86    90    94    81.00000  111.40000
   90    94    95    35.00000  109.50000
   90    94    96    35.00000  109.50000
   90    94    97    63.00000  111.10000
   94    90    91    80.00000  120.40000
   94    97    98    37.50000  110.70000
   94    97    99    50.00000  109.50000
   96    94    95    33.00000  107.80000
   97    59    66    58.35000  112.70000
   97    94    95    37.50000  110.70000
   97    94    96    37.50000  110.70000
   97    99    60    60.00000  109.50000
   99    97    98    35.00000  109.50000
   99    60    69    50.00000  109.50000
   99    60    73    50.00000  109.50000
   60    55    56    37.50000  110.70000
   60    55    59    58.35000  112.70000
   60    69    70    37.50000  110.70000
   60    69    71    37.50000  110.70000
   60    69    72    37.50000  110.70000
   60    73    74    37.50000  110.70000
   60    73    75    37.50000  110.70000
   60    73    76    37.50000  110.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    60    69    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   45    40    43    63.00000  111.10000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   77    58    63    58.35000  112.70000
   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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    58   0.01700  1.0 1.0
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   94    97    99    60  -0.01100 -1.0 2.0
   94    97    99    60   0.28050  1.0 3.0
   95    94    97    59   0.15000  1.0 3.0
   95    94    97    98   0.15000  1.0 3.0
   95    94    97    99   0.23400  1.0 3.0
   96    94    97    59   0.15000  1.0 3.0
   96    94    97    98   0.15000  1.0 3.0
   96    94    97    99   0.23400  1.0 3.0
   97    59    66    67   0.15000  1.0 3.0
   97    59    66    68   0.15000  1.0 3.0
   97    59   -66    86   0.62750  1.0 1.0
   97    59   -66    86  -0.30950 -1.0 2.0
   97    59   -66    86   0.27300  1.0 3.0
   97    99   -60    55   0.06250  1.0 1.0
   97    99   -60    55  -0.01100 -1.0 2.0
   97    99   -60    55   0.28050  1.0 3.0
   97    99    60    69   0.06250  1.0 1.0
   97    99    60    69  -0.01100 -1.0 2.0
   97    99    60    69   0.28050  1.0 3.0
   97    99    60    73   0.06250  1.0 1.0
   97    99    60    73  -0.01100 -1.0 2.0
   97    99    60    73   0.28050  1.0 3.0
   98    97    99    60   0.37050  1.0 3.0
   99    60    69    70   0.23400  1.0 3.0
   99    60    69    71   0.23400  1.0 3.0
   99    60    69    72   0.23400  1.0 3.0
   99    60    73    74   0.23400  1.0 3.0
   99    60    73    75   0.23400  1.0 3.0
   99    60    73    76   0.23400  1.0 3.0
   60    55    59    88   0.56750  1.0 1.0
   60    55    59    88  -0.07550 -1.0 2.0
   60    55    59    88   0.20000  1.0 3.0
   60    55    59    66   0.56750  1.0 1.0
   60    55    59    66  -0.07550 -1.0 2.0
   60    55    59    66   0.20000  1.0 3.0
   60    55   -59    97   0.56750  1.0 1.0
   60    55   -59    97  -0.07550 -1.0 2.0
   60    55   -59    97   0.20000  1.0 3.0
   69    60    73    74   0.15000  1.0 3.0
   69    60    73    75   0.15000  1.0 3.0
   69    60    73    76   0.15000  1.0 3.0
   73    60    69    70   0.15000  1.0 3.0
   73    60    69    71   0.15000  1.0 3.0
   73    60    69    72   0.15000  1.0 3.0
   45    40    43    44   0.30150 -1.0 2.0
   45    40    43    50   0.60050  1.0 1.0
   45    40    43    50   0.05600 -1.0 2.0
   45    40    43    50   0.26150  1.0 3.0
   77    58    63    64   0.15000  1.0 3.0
   77    58    63    65   0.15000  1.0 3.0
   77    58    63    83   0.56750  1.0 1.0
   77    58    63    83  -0.07550 -1.0 2.0
   77    58    63    83   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    49    41    42  10.50000 -1.0 2.0
   61    92    57    53   4.00000 -1.0 2.0
   81    62    61    57   1.10000 -1.0 2.0
   87    82    81    61   1.10000 -1.0 2.0
   87    93    92    57   1.10000 -1.0 2.0
   40    50    43    44  10.50000 -1.0 2.0
   86    94    90    91  10.50000 -1.0 2.0
END
