* LIGAND DATABASE FILE (OPLS2005)
*
001      93    94    170    249     493
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02095    35.89243   134.49035
    3     1 S   H    _H1_     3     1.02065    80.32554   -83.47458
    4     1 S   H    _H2_     4     1.02060    98.47690    24.18514
    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     1.08611   110.49349    58.87219
   26    24 S   HC   HB22    34     1.08575   109.90351   179.04879
   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   _C25    36     1.81236    98.46565  -178.16080
   34    33 S   HC   _H3_    37     1.09419   108.87136    41.12566
   35    33 S   HC   _H4_    38     1.09411   108.84443   158.82751
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CT   _C17    39     1.51893   110.51814   -80.00470
   40    39 S   HC   _H39    40     1.09425   108.25564    63.44241
   41    39 S   CO4  _C8_    41     1.50361   112.34679  -179.64502
   42    41 S   O    _O23    42     1.22161   126.18177   -33.48327
   43    41 S   OS   _O26    43     1.36268   109.49773   149.18777
   44    43 S   CT   _C14    44     1.43988   111.07755    -4.90129
   45    44 S   HC   _H36    45     1.08676   105.21775  -132.59778
   46    44 S   CM   _C5_    46     1.51012   108.88686   107.73116
   47    46 S   HC   _H32    47     1.08947   113.96925   -55.62724
   48    39 S   CT   _C18    61     1.53941   117.35245   -59.83901
   49    48 S   HC   _H40    62     1.09856   107.97951    90.08561
   50    46 S   CM   _C7_    48     1.35177   128.57339   127.15662
   51    50 S   CT   _C16    49     1.52370   127.14474    -3.63658
   52    51 S   HC   _H38    50     1.09759   107.87213  -156.46719
   53    50 S   CT   _C21    90     1.50941   119.09067   176.47263
   54    53 S   HC   _H45    91     1.08482   108.97792    89.99361
   55    53 S   HC   _H46    92     1.08432   109.02872   -30.15049
   56    53 S   HC   _H47    93     1.08482   109.01676  -149.83555
   57    51 S   CT   _C13    51     1.54634   115.55485    83.82562
   58    57 S   HC   _H34    52     1.09551   110.17033  -174.99391
   59    57 S   HC   _H35    53     1.09814   109.06658    69.03781
   60    51 S   OS   _O29    83     1.42628   110.60691   -42.89093
   61    57 S   CM   _C4_    54     1.50221   113.25663   -50.64988
   62    61 S   HC   _H31    55     1.08979   113.46062    88.02110
   63    60 S   CO4  _C12    84     1.36474   115.63671  -145.68323
   64    63 S   O    _O25    85     1.22379   126.24036    -0.04846
   65    61 S   CM   _C6_    56     1.34852   127.75394   -84.30686
   66    63 S   CT   _C24    86     1.49960   109.70243   179.93744
   67    66 S   HC   _H54    87     1.09224   109.80746   -90.04042
   68    66 S   HC   _H55    88     1.09301   109.80515   148.08066
   69    66 S   HC   _H56    89     1.09312   109.35810    29.09566
   70    65 S   CT   _C15    57     1.52164   121.12834   168.41979
   71    70 S   HC   _H37    58     1.11511   107.01090   153.96506
   72    65 S   CT   _C20    79     1.50558   124.06906    -7.58137
   73    72 S   HC   _H42    80     1.08561   109.19700    90.05092
   74    72 S   HC   _H43    81     1.08608   109.24788   -30.19290
   75    72 S   HC   _H44    82     1.08683   109.19793  -149.82209
   76    70 S   CT   _C19    59     1.55855   115.52910   -85.67793
   77    76 S   HC   _H41    60     1.09937   105.62555   171.34603
   78    70 S   OH   _O27    77     1.43170   110.47537    39.93689
   79    78 S   HO   _H59    78     0.96815   106.06668   180.00000
   80    76 S   OS   _O28    63     1.42574   110.15949   -73.96359
   81    80 S   CO4  _C11    64     1.36303   115.82958   -84.06695
   82    81 S   O    _O24    65     1.22321   125.75734    -0.01978
   83    81 S   CM   _C10    66     1.49486   109.60930  -179.78330
   84    83 S   CM   _C9_    67     1.34533   115.88710  -120.25915
   85    84 S   HC   _H33    68     1.08893   119.45812   178.70653
   86    83 S   CT   _C23    73     1.50059   118.27921    58.31218
   87    86 S   HC   _H51    74     1.09263   112.96455   -88.39409
   88    86 S   HC   _H52    75     1.09554   110.50144    30.49763
   89    86 S   HC   _H53    76     1.09487   110.39165   150.55512
   90    84 S   CT   _C22    69     1.49594   127.26860     0.03426
   91    90 S   HC   _H48    70     1.09486   109.39586   -91.20885
   92    90 S   HC   _H49    71     1.09093   113.72046   148.92534
   93    90 S   HC   _H50    72     1.09391   109.82427    27.19069
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   8  12   6  13   4  10
   4  12  15   7   5   2   1   1   9   5   4   7  10   3   5   4
  11   3   2   1   1  11   6   5   2   1   1   7   3   2   1   5
   9   3  10   9   5   4   2   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    76    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    70    76    77    48    49    80  
   41    42    43    44    76    48    49  
   42    43    44    45    46    76    48    49  
   43    44    48  
   44    45    46    47    50    76    48    49  
   45    46    47    50    51    70    76    77    48    49    80    53  
   46    47    50    76    48    49  
   47    50    51    52    57    76    48    49    60    53    54    55    56  
   50    51    48    53  
   49    80    81    78    50    65    70    71    76    77  
   80    70    76    77  
   51    52    57    58    59    61    60    63    53    54    55    56  
   52    57    58    59    61    62    65    60    63    64    66    53    54    55    56  
   57    58    59    61    60    63    53  
   54    55    56    57    60  
   55    56  
   56  
    0  
   58    59    61    62    65    70    72    60    63  
   59    61    62    65    60  
   61    62    65    60  
   63    64    66    67    68    69    61  
   62    65    70    71    76    78    72    73    74    75  
   65    70    72  
   64    66    67    68    69  
   66    67    68    69  
   70    71    76    77    80    78    79    72    73    74    75  
   67    68    69  
   68    69  
   69  
    0  
   71    76    77    80    81    78    79    72    73    74    75  
   76    77    80    78    79    72  
   73    74    75    76    78  
   74    75  
   75  
    0  
   77    80    81    82    83    78    79  
   80    81    78  
   79    80  
    0  
   81    82    83    84    86  
   82    83    84    85    90    86    87    88    89  
   83    84    86  
   84    85    90    91    92    93    86    87    88    89  
   85    90    91    92    93    86    87    88    89  
   90    91    92    93    86  
   87    88    89    90  
   88    89  
   89  
    0  
   91    92    93  
   92    93  
   93  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   84   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    48   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   317.000  1.510
   44    48   268.000  1.529
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    51   317.000  1.510
   50    53   317.000  1.510
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    60   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    61   317.000  1.510
   61    62   340.000  1.080
   61    65   549.000  1.340
   65    70   317.000  1.510
   65    72   317.000  1.510
   70    71   340.000  1.090
   70    76   268.000  1.529
   70    78   320.000  1.410
   76    77   340.000  1.090
   76    48   268.000  1.529
   76    80   320.000  1.410
   48    49   340.000  1.090
   80    81   214.000  1.327
   81    82   570.000  1.229
   81    83   320.000  1.462
   83    84   549.000  1.340
   83    86   317.000  1.510
   84    85   340.000  1.080
   84    90   317.000  1.510
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   78    79   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   60    63   214.000  1.327
   63    64   570.000  1.229
   63    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    48    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    48    44    58.35000  112.70000
   39    48    76    58.35000  112.70000
   39    48    49    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    85.00000  110.90400
   43    44    48    50.00000  109.50000
   44    46    47    35.00000  117.00000
   44    46    50    70.00000  124.00000
   44    48    76    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    35.00000  109.50000
   46    50    51    70.00000  124.00000
   46    50    53    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    51    52    35.00000  109.50000
   50    51    57    70.00000  112.02700
   50    51    60    85.00000  110.90400
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    61    70.00000  112.02700
   51    60    63    83.00000  116.90000
   57    51    52    37.50000  110.70000
   57    61    62    35.00000  117.00000
   57    61    65    70.00000  124.00000
   59    57    58    33.00000  107.80000
   61    57    58    35.00000  109.50000
   61    57    59    35.00000  109.50000
   61    65    70    70.00000  124.00000
   61    65    72    70.00000  124.00000
   65    61    62    35.00000  120.00000
   65    70    71    35.00000  109.50000
   65    70    76    70.00000  112.02700
   65    70    78    90.00000  110.39200
   65    72    73    35.00000  109.50000
   65    72    74    35.00000  109.50000
   65    72    75    35.00000  109.50000
   70    76    77    37.50000  110.70000
   70    76    48    58.35000  112.70000
   70    76    80    50.00000  109.50000
   70    78    79    55.00000  108.50000
   76    70    71    37.50000  110.70000
   76    48    49    37.50000  110.70000
   76    80    81    83.00000  116.90000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    70.00000  112.02700
   48    76    77    37.50000  110.70000
   80    76    77    35.00000  109.50000
   80    76    48    50.00000  109.50000
   80    81    82    83.00000  123.40000
   80    81    83    90.00000  111.29400
   81    83    84    65.00000  118.96000
   81    83    86    65.00000  116.34900
   83    81    82    80.00000  123.72100
   83    84    85    35.00000  120.00000
   83    84    90    70.00000  124.00000
   83    86    87    35.00000  109.50000
   83    86    88    35.00000  109.50000
   83    86    89    35.00000  109.50000
   84    90    91    35.00000  109.50000
   84    90    92    35.00000  109.50000
   84    90    93    35.00000  109.50000
   90    84    85    35.00000  117.00000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   86    83    84    70.00000  124.00000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   78    70    71    35.00000  109.50000
   78    70    76    50.00000  109.50000
   72    65    70    65.00000  117.92700
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   60    51    52    35.00000  109.50000
   60    51    57    50.00000  109.50000
   60    63    64    83.00000  123.40000
   60    63    66    81.00000  111.40000
   63    66    67    35.00000  109.50000
   63    66    68    35.00000  109.50000
   63    66    69    35.00000  109.50000
   66    63    64    80.00000  120.40000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   53    50    51    65.00000  117.92700
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    76   0.56750  1.0 1.0
   33    39    48    76  -0.07550 -1.0 2.0
   33    39    48    76   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    48   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    48   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    76   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    76  -0.95700  1.0 1.0
   41    39    48    76  -0.18200 -1.0 2.0
   41    39    48    76   0.29450  1.0 3.0
   41    39    48    49  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.82050  1.0 1.0
   41    43    44    46   0.00600 -1.0 2.0
   41    43    44    46   0.04400  1.0 3.0
   41    43   -44    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.00000  1.0 1.0
   43    44    46    50   0.39000  1.0 1.0
   43    44    46    50  -0.05800 -1.0 2.0
   43    44    46    50  -0.55150  1.0 3.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    76   0.62750  1.0 1.0
   43    44    48    76  -0.30950 -1.0 2.0
   43    44    48    76   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    51   7.00000 -1.0 2.0
   44    46    50    53   7.00000 -1.0 2.0
   45    44    46    47   0.33100  1.0 3.0
   45    44    46    50   0.00000  1.0 1.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    76   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.34400  1.0 1.0
   46    44    48    39   0.09450 -1.0 2.0
   46    44    48    39   0.11100  1.0 3.0
   46    44    48    76   0.34400  1.0 1.0
   46    44    48    76   0.09450 -1.0 2.0
   46    44    48    76   0.11100  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    52   0.00000  1.0 1.0
   46    50    51    57   0.09850  1.0 1.0
   46    50    51    57   0.15250 -1.0 2.0
   46    50    51    57  -0.50650  1.0 3.0
   46    50    51    60   0.39000  1.0 1.0
   46    50    51    60  -0.05800 -1.0 2.0
   46    50    51    60  -0.55150  1.0 3.0
   46    50    53    54   0.00000  1.0 1.0
   46    50    53    55   0.00000  1.0 1.0
   46    50    53    56   0.00000  1.0 1.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    53   7.00000 -1.0 2.0
   50    51    57    58   0.15000  1.0 3.0
   50    51    57    59   0.15000  1.0 3.0
   50    51    57    61   0.31000  1.0 1.0
   50    51    57    61   0.14700 -1.0 2.0
   50    51    57    61   0.07550  1.0 3.0
   50    51    60    63  -0.82050  1.0 1.0
   50    51    60    63   0.00600 -1.0 2.0
   50    51    60    63   0.04400  1.0 3.0
   51    50    53    54   0.34800  1.0 3.0
   51    50    53    55   0.34800  1.0 3.0
   51    50    53    56   0.34800  1.0 3.0
   51    57    61    62   0.00000  1.0 1.0
   51    57    61    65   0.09850  1.0 1.0
   51    57    61    65   0.15250 -1.0 2.0
   51    57    61    65  -0.50650  1.0 3.0
   51    60    63    64   3.00000 -1.0 2.0
   51    60    63    66   1.63150  1.0 1.0
   51    60    63    66   2.92000 -1.0 2.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    61   0.15000  1.0 3.0
   52    51    60    63   0.08050  1.0 3.0
   57    51    60    63  -0.25900  1.0 1.0
   57    51    60    63  -0.47000 -1.0 2.0
   57    51    60    63   0.11750  1.0 3.0
   57    61    65    70   7.00000 -1.0 2.0
   57    61    65    72   7.00000 -1.0 2.0
   58    57    61    62   0.33100  1.0 3.0
   58    57    61    65   0.00000  1.0 1.0
   59    57    61    62   0.33100  1.0 3.0
   59    57    61    65   0.00000  1.0 1.0
   61    65    70    71   0.00000  1.0 1.0
   61    65    70    76   0.09850  1.0 1.0
   61    65    70    76   0.15250 -1.0 2.0
   61    65    70    76  -0.50650  1.0 3.0
   61    65    70    78   0.67800  1.0 1.0
   61    65    70    78   0.47050 -1.0 2.0
   61    65    70    78  -0.62500  1.0 3.0
   61    65    72    73   0.00000  1.0 1.0
   61    65    72    74   0.00000  1.0 1.0
   61    65    72    75   0.00000  1.0 1.0
   62    61    65    70   7.00000 -1.0 2.0
   62    61    65    72   7.00000 -1.0 2.0
   65    70    76    77   0.15000  1.0 3.0
   65    70    76    48   0.34400  1.0 1.0
   65    70    76    48   0.09450 -1.0 2.0
   65    70    76    48   0.11100  1.0 3.0
   65    70    76    80   0.61850  1.0 1.0
   65    70    76    80  -0.22750 -1.0 2.0
   65    70    76    80   0.15300  1.0 3.0
   65    70    78    79  -0.07800  1.0 1.0
   65    70    78    79  -0.21500 -1.0 2.0
   65    70    78    79  -0.03150  1.0 3.0
   70    65    72    73   0.34800  1.0 3.0
   70    65    72    74   0.34800  1.0 3.0
   70    65    72    75   0.34800  1.0 3.0
   70    76    48    39   0.56750  1.0 1.0
   70    76    48    39  -0.07550 -1.0 2.0
   70    76    48    39   0.20000  1.0 3.0
   70    76    48    44   0.56750  1.0 1.0
   70    76    48    44  -0.07550 -1.0 2.0
   70    76    48    44   0.20000  1.0 3.0
   70    76    48    49   0.15000  1.0 3.0
   70    76    80    81  -0.25900  1.0 1.0
   70    76    80    81  -0.47000 -1.0 2.0
   70    76    80    81   0.11750  1.0 3.0
   71    70    76    77   0.15000  1.0 3.0
   71    70    76    48   0.15000  1.0 3.0
   71    70    76    80   0.23400  1.0 3.0
   71    70    78    79   0.19450  1.0 3.0
   76    70    78    79  -0.11600  1.0 1.0
   76    70    78    79  -0.09450 -1.0 2.0
   76    70    78    79   0.21250  1.0 3.0
   76    80    81    82   3.00000 -1.0 2.0
   76    80    81    83   2.00000 -1.0 2.0
   77    76    48    39   0.15000  1.0 3.0
   77    76    48    44   0.15000  1.0 3.0
   77    76    48    49   0.15000  1.0 3.0
   77    76    80    81   0.08050  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.00000  1.0 1.0
   48    44    46    50   0.09850  1.0 1.0
   48    44    46    50   0.15250 -1.0 2.0
   48    44    46    50  -0.50650  1.0 3.0
   48    76    80    81  -0.25900  1.0 1.0
   48    76    80    81  -0.47000 -1.0 2.0
   48    76    80    81   0.11750  1.0 3.0
   80    76    48    39   0.62750  1.0 1.0
   80    76    48    39  -0.30950 -1.0 2.0
   80    76    48    39   0.27300  1.0 3.0
   80    76    48    44   0.62750  1.0 1.0
   80    76    48    44  -0.30950 -1.0 2.0
   80    76    48    44   0.27300  1.0 3.0
   80    76    48    49   0.23400  1.0 3.0
   80    81    83    84  -0.56150  1.0 1.0
   80    81    83    84   2.19150 -1.0 2.0
   80    81    83    86  -0.15000  1.0 1.0
   80    81    83    86   0.89550 -1.0 2.0
   80    81    83    86  -0.06900  1.0 3.0
   81    83    84    85   7.00000 -1.0 2.0
   81    83    84    90   7.00000 -1.0 2.0
   81    83    86    87   0.15000  1.0 3.0
   81    83    86    88   0.15000  1.0 3.0
   81    83    86    89   0.15000  1.0 3.0
   82    81    83    84   1.00000 -1.0 2.0
   82    81    83    86  -0.64400  1.0 1.0
   82    81    83    86   0.26850 -1.0 2.0
   83    84    90    91   0.00000  1.0 1.0
   83    84    90    92   0.00000  1.0 1.0
   83    84    90    93   0.00000  1.0 1.0
   84    83    86    87   0.00000  1.0 1.0
   84    83    86    88   0.00000  1.0 1.0
   84    83    86    89   0.00000  1.0 1.0
   85    84    90    91   0.33100  1.0 3.0
   85    84    90    92   0.33100  1.0 3.0
   85    84    90    93   0.33100  1.0 3.0
   86    83    84    85   7.00000 -1.0 2.0
   86    83    84    90   7.00000 -1.0 2.0
   78    70    76    77   0.23400  1.0 3.0
   78    70    76    48   0.86500  1.0 1.0
   78    70    76    48  -0.17500 -1.0 2.0
   78    70    76    48   0.20800  1.0 3.0
   78    70    76    80   3.69350  1.0 1.0
   78    70    76    80  -1.82950 -1.0 2.0
   72    65    70    71   0.34800  1.0 3.0
   72    65    70    76   0.46850  1.0 1.0
   72    65    70    76   0.08550 -1.0 2.0
   72    65    70    76   0.09800  1.0 3.0
   72    65    70    78   0.18000  1.0 1.0
   72    65    70    78   0.16450 -1.0 2.0
   72    65    70    78   0.04450  1.0 3.0
   60    51    57    58   0.23400  1.0 3.0
   60    51    57    59   0.23400  1.0 3.0
   60    51    57    61   0.61850  1.0 1.0
   60    51    57    61  -0.22750 -1.0 2.0
   60    51    57    61   0.15300  1.0 3.0
   60    63    66    67   0.00000  1.0 1.0
   60    63    66    68   0.00000  1.0 1.0
   60    63    66    69   0.00000  1.0 1.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    68   0.00000  1.0 1.0
   64    63    66    69   0.00000  1.0 1.0
   53    50    51    52   0.34800  1.0 3.0
   53    50    51    57   0.46850  1.0 1.0
   53    50    51    57   0.08550 -1.0 2.0
   53    50    51    57   0.09800  1.0 3.0
   53    50    51    60   0.09700  1.0 1.0
   53    50    51    60   0.15600 -1.0 2.0
   53    50    51    60  -0.50800  1.0 3.0
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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   44    47    46    50   1.10000 -1.0 2.0
   51    53    50    46   1.10000 -1.0 2.0
   57    62    61    65   1.10000 -1.0 2.0
   70    72    65    61   1.10000 -1.0 2.0
   80    83    81    82  10.50000 -1.0 2.0
   81    86    83    84  15.00000 -1.0 2.0
   90    85    84    83  15.00000 -1.0 2.0
   60    66    63    64  10.50000 -1.0 2.0
END
