* LIGAND DATABASE FILE (OPLS2005)
*
001      95   100    197    326     592
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02019   106.30421   -22.45112
    3     1 S   H    _H1_     3     1.02058    60.99126    80.26011
    4     1 S   H    _H2_     4     1.02157    51.23576  -123.59457
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.67109    58.72486
   26    24 S   HC   HB22    34     1.08519   110.01707   179.21765
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C20    36     1.88262    96.24929  -158.12629
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C11    37     1.58921   110.68968  -160.04534
   38    37 S   HC   _H43    38     1.10046   107.95599    47.14905
   39    33 S   CT   _C14    83     1.58441   110.76033    78.32146
   40    39 S   OM   _O24    84     1.32594   112.05065   -51.01055
   41    39 S   HC   _H46    85     1.09507   104.06573  -177.52804
   42    37 S   CT   _C5_    39     1.55483   110.37935   161.93968
   43    42 S   HC   _H31    40     1.09591   109.54532  -173.04430
   44    42 S   HC   _H32    41     1.09421   110.95335    69.85331
   45    37 S   CT   _C18    67     1.57911   114.81820   -72.49003
   46    42 S   CT   _C7_    42     1.52323   114.17788   -55.00320
   47    46 S   HC   _H35    43     1.09752   108.95181   179.64009
   48    46 S   HC   _H36    44     1.09715   107.29241   -66.44220
   49    45 S   CT   _C6_    68     1.56575   114.59651  -165.66663
   50    49 S   HC   _H33    69     1.09576   112.15249    59.54987
   51    49 S   HC   _H34    70     1.09700   110.29780   -59.49395
   52    46 S   CT   _C19    45     1.54042   113.61053    56.59559
   53    49 S   CT   _C8_    71     1.53973   109.88958   179.06896
   54    53 S   HC   _H37    72     1.09845   108.99318   127.86063
   55    53 S   HC   _H38    73     1.09580   110.86519  -116.01748
   56    52 S   CT   _C13    46     1.54448   111.62051  -158.74562
   57    56 S   HC   _H45    47     1.09844   108.67145  -169.11179
   58    52 S   CT   _C23    63     1.53467   110.75813    78.51621
   59    58 S   HC   _H52    64     1.08670   109.45792  -179.97202
   60    58 S   HC   _H53    65     1.08633   109.43760    60.07074
   61    58 S   HC   _H54    66     1.08560   109.50639   -59.96144
   62    53 S   CO   _C21    74     1.53937   109.89669     7.07679
   63    56 S   CT   _C9_    48     1.51941   103.02324    76.98948
   64    63 S   HC   _H39    49     1.09441   112.05096   141.33765
   65    63 S   HC   _H40    50     1.09545   113.35443   -96.13529
   66    56 S   NTH0 _N23    54     1.45565   117.42735   -47.48226
   67    62 S   CT   _C17    75     1.55684   111.15963   -61.73480
   68    62 S   OS   _O28    90     1.43121   105.38577    57.09310
   69    62 S   OH   _O29    94     1.42189   108.20370   174.77025
   70    69 S   HO   _H61    95     0.97042   106.72114   -60.02244
   71    63 S   OS   _O27    51     1.43382   106.45371    21.79791
   72    66 S   CT   _C24    55     1.46459   110.70721   -80.53867
   73    72 S   HC   _H55    56     1.09262   110.13917  -180.00000
   74    72 S   HC   _H56    57     1.09381   110.23007    60.01187
   75    72 S   HC   _H57    58     1.09328   110.22866   -59.95642
   76    66 S   CT   _C25    59     1.46534   110.73237   156.98758
   77    76 S   HC   _H58    60     1.09229   110.09621   179.97202
   78    76 S   HC   _H59    61     1.09274   110.20025    59.93393
   79    76 S   HC   _H60    62     1.09406   110.19241   -59.98953
   80    67 S   CO4  _C4_    76     1.52962   112.38890   156.28198
   81    80 S   O    _O25    77     1.22248   125.69878    53.77212
   82    67 S   CT   _C22    86     1.53416   113.61256   -79.66398
   83    82 S   HC   _H49    87     1.08595   109.50179    53.99120
   84    82 S   HC   _H50    88     1.08734   109.46833   -65.96312
   85    82 S   HC   _H51    89     1.08700   109.50577   174.07179
   86    45 S   CT   _C10    91     1.55923   111.40371    77.93409
   87    86 S   HC   _H41    92     1.08420   113.56749   -63.88704
   88    86 S   HC   _H42    93     1.09657   110.79477    56.53838
   89    33 S   CT   _C16    52     1.57841   103.48565   -42.08182
   90    89 S   HC   _H48    53     1.09914   109.60657    67.79839
   91    80 S   OS   _O26    78     1.37577   110.10070  -124.71091
   92    91 S   CT   _C15    79     1.43028   108.61855   -14.65419
   93    92 S   HC   _H47    80     1.10224   105.44960   -81.94436
   94    45 S   CT   _C12    81     1.55686   111.83851   -48.10162
   95    94 S   HC   _H44    82     1.09937   108.50184   -76.31680
  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
  23   2   1   1  27  10  15   6   5  13   6   5  21  14   5   4
  15   7   6  15  11   5   4  20   9   8   3   2   1  17   8   4
   3  10  15   8   5   1   2   7   3   2   1   3   2   1   1  10
   4   7   3   2   1   5   2   1   2   1   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    89    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    52    71    89    90    45    92    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    46    52    56    63    71    89    90    58    45    49    91    92    93    94    39    40    41    86  
   35    36  
   36  
    0  
   38    42    43    44    46    47    48    52    71    89    90    45    49    50    51    53    67    92    94    95    39    40    41    68    86    87    88  
   42    43    44    46    89    45    49    94    39    86  
   40    41    42    45    52    67    71    80    89    90    91    92    93    94    95  
   41    89    91    92    93    94  
   89    91    92    93    94  
   43    44    46    47    48    52    56    89    58    45    49    94    86  
   44    46    47    48    52    45  
   46    47    48    52    45  
   49    50    51    53    54    55    62    67    80    91    92    93    94    95    82    68    86    87    88    46    89  
   47    48    52    56    57    63    71    89    90    66    58    59    60    61  
   48    52    56    89    58  
   52    56    89    58  
   50    51    53    54    55    62    67    92    94    95    68    86    87    88    69  
   51    53    54    55    62    94    86  
   53    54    55    62    94    86  
   56    57    63    64    65    71    89    90    66    72    76    58    59    60    61  
   54    55    62    67    80    94    82    68    86    69    70  
   55    62    67    68    69  
   62    67    68    69  
   57    63    64    65    71    89    90    66    72    73    74    75    76    77    78    79    58    59    60    61  
   63    64    65    71    89    66    72    76    58  
   59    60    61    63    66    71    89    90  
   60    61    89  
   61    89  
   89  
   67    80    81    91    92    94    95    82    83    84    85    68    86    87    88    69    70  
   64    65    71    89    90    66    72    76  
   65    71    89    66  
   71    89    66  
   72    73    74    75    76    77    78    79    71    89  
   80    81    91    92    93    94    95    82    83    84    85    68    86    69    70  
   86    87    88    69    70    80    82    94  
   70    80    82    86    94  
    0  
   89    90  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76  
   77    78    79  
   78    79  
   79  
    0  
   81    91    92    93    94    95    82    83    84    85  
   91    92    94    82  
   83    84    85    91    92    94    95  
   84    85    94  
   85    94  
   94  
   87    88    92    94    95  
   88    94  
   94  
   90    92  
    0  
   92    93    94    95  
   93    94    95  
   94    95  
   95  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   69   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   91   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   92   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   94   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    89   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    42   268.000  1.529
   37    45   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    52   268.000  1.529
   52    56   268.000  1.529
   52    89   268.000  1.529
   52    58   268.000  1.529
   56    57   340.000  1.090
   56    63   268.000  1.529
   56    66   310.000  1.447
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    71   320.000  1.410
   71    89   320.000  1.410
   89    90   340.000  1.090
   66    72   310.000  1.447
   66    76   310.000  1.447
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   45    49   268.000  1.529
   45    94   268.000  1.529
   45    86   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    62   250.000  1.527
   62    67   250.000  1.527
   62    68   320.000  1.380
   62    69   380.000  1.407
   67    80   317.000  1.522
   67    94   268.000  1.529
   67    82   268.000  1.529
   80    81   570.000  1.229
   80    91   214.000  1.327
   91    92   320.000  1.410
   92    93   340.000  1.090
   92    94   268.000  1.529
   92    39   268.000  1.529
   94    95   340.000  1.090
   39    40   570.000  1.307
   39    41   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   68    86   320.000  1.410
   86    87   340.000  1.090
   86    88   340.000  1.090
   69    70   553.000  0.945
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    89    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    37    45    58.35000  112.70000
   33    89    52    58.35000  112.70000
   33    89    71    50.00000  109.50000
   33    89    90    37.50000  110.70000
   33    39    92    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   37    42    43    37.50000  110.70000
   37    42    44    37.50000  110.70000
   37    42    46    58.35000  112.70000
   37    45    49    58.35000  112.70000
   37    45    94    58.35000  112.70000
   37    45    86    58.35000  112.70000
   42    37    38    37.50000  110.70000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    52    58.35000  112.70000
   44    42    43    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    37.50000  110.70000
   46    52    56    58.35000  112.70000
   46    52    89    58.35000  112.70000
   46    52    58    58.35000  112.70000
   48    46    47    33.00000  107.80000
   52    46    47    37.50000  110.70000
   52    46    48    37.50000  110.70000
   52    56    57    37.50000  110.70000
   52    56    63    58.35000  112.70000
   52    56    66    75.00000  113.73300
   52    89    71    50.00000  109.50000
   52    89    90    37.50000  110.70000
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    61    37.50000  110.70000
   56    63    64    37.50000  110.70000
   56    63    65    37.50000  110.70000
   56    63    71    50.00000  109.50000
   56    66    72    80.00000  110.40700
   56    66    76    80.00000  110.40700
   63    56    57    37.50000  110.70000
   63    71    89    60.00000  109.50000
   65    63    64    33.00000  107.80000
   71    63    64    35.00000  109.50000
   71    63    65    35.00000  109.50000
   71    89    90    35.00000  109.50000
   89    33    37    58.35000  112.70000
   89    52    56    58.35000  112.70000
   66    56    57    50.00000  110.15500
   66    56    63    75.00000  113.73300
   66    72    73    50.00000  110.15500
   66    72    74    50.00000  110.15500
   66    72    75    50.00000  110.15500
   66    76    77    50.00000  110.15500
   66    76    78    50.00000  110.15500
   66    76    79    50.00000  110.15500
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    66    72    80.00000  110.40700
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   58    52    56    58.35000  112.70000
   58    52    89    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   45    37    38    37.50000  110.70000
   45    37    42    58.35000  112.70000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    53    58.35000  112.70000
   45    94    67    58.35000  112.70000
   45    94    92    58.35000  112.70000
   45    94    95    37.50000  110.70000
   45    86    68    50.00000  109.50000
   45    86    87    37.50000  110.70000
   45    86    88    37.50000  110.70000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    62    75.00000  109.43000
   51    49    50    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   53    62    67    65.00000  112.71400
   53    62    68    90.00000  108.56700
   53    62    69    90.00000  110.19100
   55    53    54    33.00000  107.80000
   62    53    54    45.00000  108.72000
   62    53    55    45.00000  108.72000
   62    67    80    63.00000  111.10000
   62    67    94    75.00000  109.43000
   62    67    82    75.00000  109.43000
   62    68    86    60.00000  109.50000
   62    69    70    70.00000  107.92000
   67    80    81    80.00000  120.40000
   67    80    91    81.00000  111.40000
   67    94    92    58.35000  112.70000
   67    94    95    37.50000  110.70000
   67    82    83    37.50000  110.70000
   67    82    84    37.50000  110.70000
   67    82    85    37.50000  110.70000
   80    91    92    83.00000  116.90000
   91    80    81    83.00000  123.40000
   91    92    93    35.00000  109.50000
   91    92    94    50.00000  109.50000
   91    92    39    50.00000  109.50000
   92    94    95    37.50000  110.70000
   92    39    40    50.00000  109.50000
   92    39    41    37.50000  110.70000
   94    45    49    58.35000  112.70000
   94    67    80    63.00000  111.10000
   94    92    93    37.50000  110.70000
   39    33    37    58.35000  112.70000
   39    33    89    58.35000  112.70000
   39    92    93    37.50000  110.70000
   39    92    94    58.35000  112.70000
   41    39    40    45.00000  125.66300
   82    67    80    63.00000  111.10000
   82    67    94    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   68    62    67    90.00000  108.56700
   68    86    87    35.00000  109.50000
   68    86    88    35.00000  109.50000
   86    45    49    58.35000  112.70000
   86    45    94    58.35000  112.70000
   88    86    87    33.00000  107.80000
   69    62    67    90.00000  110.19100
   69    62    68   110.00000  112.08000
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    89   0.01700  1.0 1.0
   24    29    33    89  -0.23550 -1.0 2.0
   24    29    33    89   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    89    52   0.44750  1.0 1.0
   29    33    89    52  -0.17800 -1.0 2.0
   29    33    89    52   0.20200  1.0 3.0
   29    33    89    71   0.56750  1.0 1.0
   29    33    89    71  -0.07550 -1.0 2.0
   29    33    89    71   0.20000  1.0 3.0
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   39    92    94    67   0.56750  1.0 1.0
   39    92    94    67  -0.07550 -1.0 2.0
   39    92    94    67   0.20000  1.0 3.0
   39    92    94    95   0.15000  1.0 3.0
   82    67    80    81   0.30150 -1.0 2.0
   82    67    80    91   0.36750  1.0 3.0
   82    67    94    45   0.56750  1.0 1.0
   82    67    94    45  -0.07550 -1.0 2.0
   82    67    94    45   0.20000  1.0 3.0
   82    67    94    92   0.56750  1.0 1.0
   82    67    94    92  -0.07550 -1.0 2.0
   82    67    94    92   0.20000  1.0 3.0
   82    67    94    95   0.15000  1.0 3.0
   68    62    67    80  -0.09450  1.0 1.0
   68    62    67    80  -1.12950 -1.0 2.0
   68    62    67    80   0.54000  1.0 3.0
   68    62   -67    94   0.62750  1.0 1.0
   68    62   -67    94  -0.30950 -1.0 2.0
   68    62   -67    94   0.27300  1.0 3.0
   68    62    67    82   0.62750  1.0 1.0
   68    62    67    82  -0.30950 -1.0 2.0
   68    62    67    82   0.27300  1.0 3.0
   68    62    69    70  -0.50000  1.0 1.0
   68    62    69    70  -0.73950 -1.0 2.0
   68    62    69    70   0.17150  1.0 3.0
   86    45    49    50   0.15000  1.0 3.0
   86    45    49    51   0.15000  1.0 3.0
   86    45   -49    53   0.56750  1.0 1.0
   86    45   -49    53  -0.07550 -1.0 2.0
   86    45   -49    53   0.20000  1.0 3.0
   86    45   -94    67   0.56750  1.0 1.0
   86    45   -94    67  -0.07550 -1.0 2.0
   86    45   -94    67   0.20000  1.0 3.0
   86    45    94    92   0.56750  1.0 1.0
   86    45    94    92  -0.07550 -1.0 2.0
   86    45    94    92   0.20000  1.0 3.0
   86    45    94    95   0.15000  1.0 3.0
   69    62    67    80  -0.09450  1.0 1.0
   69    62    67    80  -1.12950 -1.0 2.0
   69    62    67    80   0.54000  1.0 3.0
   69    62    67    94   0.86500  1.0 1.0
   69    62    67    94  -0.17500 -1.0 2.0
   69    62    67    94   0.20800  1.0 3.0
   69    62    67    82   0.86500  1.0 1.0
   69    62    67    82  -0.17500 -1.0 2.0
   69    62    67    82   0.20800  1.0 3.0
   69    62    68    86  -0.81800  1.0 1.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   67    91    80    81  10.50000 -1.0 2.0
END
