* LIGAND DATABASE FILE (OPLS2005)
*
001      90    91    161    226     453
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02053   106.44643    -7.98579
    3     1 S   H    _H1_     3     1.02148    52.28353    93.23294
    4     1 S   H    _H2_     4     1.02075    59.91086  -110.42557
    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   110.43906    58.92669
   26    24 S   HC   HB22    34     1.08603   109.84388   179.00397
   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   _C23    36     1.87960   101.45189  -159.99241
   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   _C19    37     1.55450   106.15772   159.96595
   38    37 S   HC   _H52    38     1.09725   111.20734   177.91062
   39    37 S   HC   _H53    39     1.09612   111.21402    61.57562
   40    33 S   CT   _C22    47     1.58535   109.43166   -80.33819
   41    40 S   HC   _H56    48     1.10096   105.91979  -176.75303
   42    33 S   OS   _O26    86     1.44165   109.37589    40.47411
   43    37 S   CO4  _C12    40     1.51769   115.74117   -61.25428
   44    43 S   O    _O23    41     1.22548   123.46598   -33.67728
   45    40 S   CT   _C15    49     1.54330   114.79506    69.54478
   46    45 S   HC   _H40    50     1.09354   111.42863   -65.02052
   47    45 S   HC   _H41    51     1.09298   112.69894   173.39526
   48    45 S   HC   _H42    52     1.09430   110.96124    52.85896
   49    40 S   CT   _C21    53     1.56725   114.71448   -62.01442
   50    49 S   HC   _H55    54     1.09372   109.17031   -31.09556
   51    42 S   CT   _C18    87     1.42091   118.12076   176.67204
   52    51 S   HC   _H49    88     1.09334   109.49206   179.96044
   53    51 S   HC   _H50    89     1.09269   109.55581    59.27334
   54    51 S   HC   _H51    90     1.09198   109.00439   -60.43672
   55    43 S   OS   _O24    42     1.36126   110.68032   146.54592
   56    49 S   CM   _C11    55     1.50558   116.76340  -155.54533
   57    56 S   HC   _H33    56     1.08718   116.64847   -85.74801
   58    49 S   OS   _O25    81     1.43446   108.30230    82.41666
   59    55 S   CT   _C16    43     1.43157   115.64800   179.77015
   60    59 S   HC   _H43    44     1.09239   109.54120   179.95154
   61    59 S   HC   _H44    45     1.09317   109.47246    59.18650
   62    59 S   HC   _H45    46     1.09217   108.97651   -60.38792
   63    56 S   CM   _C10    57     1.34296   123.15142    94.41878
   64    63 S   HC   _H32    58     1.08764   119.38251     1.21756
   65    58 S   CT   _C17    82     1.41560   111.06320  -152.65678
   66    65 S   HC   _H46    83     1.09205   109.57181  -179.97202
   67    65 S   HC   _H47    84     1.09259   109.56188    59.13989
   68    65 S   HC   _H48    85     1.09307   108.96989   -60.40825
   69    63 S   C5B  _C7_    59     1.47052   124.80131   178.72298
   70    69 S   C5A  _C5_    60     1.37956   124.72021  -177.65240
   71    70 S   HA   _H31    61     1.08110   129.13340     0.06853
   72    70 S   SA   _S28    62     1.71583   109.58305   180.00000
   73    72 S   CRA  _C8_    63     1.71648    89.18052     0.08156
   74    73 S   C5B  _C6_    64     1.47938   121.72969   179.96044
   75    69 S   N5B  _N22    80     1.38095   119.33601     2.43590
   76    74 S   C5A  _C4_    65     1.37914   122.54810   179.96574
   77    76 S   HA   _H30    66     1.08176   129.07871     0.00000
   78    76 S   SA   _S29    67     1.71494   109.58954   179.96044
   79    78 S   CRA  _C9_    68     1.71580    89.18946     0.05595
   80    74 S   N5B  _N21    69     1.38140   121.54422    -0.00000
   81    79 S   CT   _C20    70     1.47957   119.07391   179.92867
   82    81 S   HC   _H54    71     1.11122   110.37863     0.05935
   83    81 S   CT   _C13    72     1.54437   112.90123  -117.68712
   84    83 S   HC   _H34    73     1.09556   111.46260   -59.37986
   85    83 S   HC   _H35    74     1.09571   111.87477  -179.92598
   86    83 S   HC   _H36    75     1.09585   110.21243    60.15698
   87    81 S   CT   _C14    76     1.54539   112.87749   117.69107
   88    87 S   HC   _H37    77     1.09605   110.20238    59.39387
   89    87 S   HC   _H38    78     1.09560   111.85434   -60.46542
   90    87 S   HC   _H39    79     1.09462   111.42555   178.96259
  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  11   5   4   3
  21   2   1   1  12   6   5  15   9   7   6   2   7   3   2   1
  11   5   3   2   1   1   4   8   4   5   3   2   1   1   7   3
   3   2   1   1   6   5   3   5   7   7   2   5   3   6  11   4
   9   8   7   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    40    41    45    49    42    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    55    40    41    45    46    47    48    49    50    56    58    42    51    52    53    54  
   35    36  
   36  
    0  
   38    39    43    44    55    59    40    41    45    49    42    51  
   39    43    44    55    40    42  
   43    44    55    40    42  
   41    45    46    47    48    49    50    56    57    63    58    65    42    51    43  
   45    46    47    48    49    50    56    58    42  
   51    52    53    54    43    45    49  
   44    55    59    60    61    62  
   55    59  
   46    47    48    49    50    56    58  
   47    48    49  
   48    49  
   49  
   50    56    57    63    64    69    58    65    66    67    68  
   56    57    63    58    65  
   52    53    54  
   53    54  
   54  
    0  
   59    60    61    62  
   57    63    64    69    70    75    58    65  
   63    64    69    58  
   65    66    67    68    63  
   60    61    62  
   61    62  
   62  
    0  
   64    69    70    71    72    73    75  
   69    70    75  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73    74    75  
   71    72    73    74    75  
   72    73    75  
   73    74    76    80    75  
   74    76    77    78    79    80    75  
   76    77    78    79    80    81    75  
   76    80  
   77    78    79    80    81  
   78    79    80  
   79    80    81    82    83    87  
   80    81    82    83    84    85    86    87    88    89    90  
   81    82    83    87  
   82    83    84    85    86    87    88    89    90  
   83    84    85    86    87    88    89    90  
   84    85    86    87    88    89    90  
   85    86    87  
   86    87  
   87  
   88    89    90  
   89    90  
   90  
    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  -0.316400   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   0.348900   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   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   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   56   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   72   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   73   3.5500   0.0700   0.300900   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700   0.284300   2.5000   1.7750   0.001000000  -0.843144165
   75   3.2800   0.1700  -0.480300   1.8000   1.6000   0.001000000  -0.511443539
   76   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   78   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   79   3.5500   0.0700   0.185900   2.0020   1.7750   0.001000000  -0.843144165
   80   3.2800   0.1700  -0.480300   1.8000   1.6000   0.001000000  -0.511443539
   81   3.5000   0.0660   0.055000   2.4950   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.3810   1.2100   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    40   268.000  1.529
   33    42   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    55   214.000  1.327
   55    59   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   40    41   340.000  1.090
   40    45   268.000  1.529
   40    49   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   49    50   340.000  1.090
   49    56   317.000  1.510
   49    58   320.000  1.410
   56    57   340.000  1.080
   56    63   549.000  1.340
   63    64   340.000  1.080
   63    69   320.000  1.460
   69    70   520.000  1.370
   69    75   410.000  1.394
   70    71   367.000  1.080
   70    72   265.000  1.745
   72    73   250.000  1.765
   73    74   330.000  1.454
   73    75   488.000  1.335
   74    76   520.000  1.370
   74    80   410.000  1.394
   76    77   367.000  1.080
   76    78   265.000  1.745
   78    79   250.000  1.765
   79    80   488.000  1.335
   79    81   295.000  1.488
   81    82   340.000  1.090
   81    83   268.000  1.529
   81    87   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   58    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   42    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    40    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    45    58.35000  112.70000
   33    40    49    58.35000  112.70000
   33    42    51    60.00000  109.50000
   37    43    44    80.00000  120.40000
   37    43    55    81.00000  111.40000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    55    59    83.00000  116.90000
   55    43    44    83.00000  123.40000
   55    59    60    35.00000  109.50000
   55    59    61    35.00000  109.50000
   55    59    62    35.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    48    37.50000  110.70000
   40    49    50    37.50000  110.70000
   40    49    56    70.00000  112.02700
   40    49    58    50.00000  109.50000
   45    40    41    37.50000  110.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   49    40    41    37.50000  110.70000
   49    40    45    58.35000  112.70000
   49    56    57    35.00000  117.00000
   49    56    63    70.00000  124.00000
   49    58    65    60.00000  109.50000
   56    49    50    35.00000  109.50000
   56    63    64    35.00000  120.00000
   56    63    69    60.00000  123.20500
   63    56    57    35.00000  120.00000
   63    69    70    60.00000  120.93500
   63    69    75    70.00000  118.40000
   69    63    64    40.00000  117.26300
   69    70    71    35.00000  130.70000
   69    70    72    80.00000  111.29200
   69    75    73    70.00000  110.00000
   70    72    73   120.00000   89.04400
   72    70    71    40.00000  122.38200
   72    73    74    65.00000  123.00000
   72    73    75    80.00000  114.57700
   73    74    76    55.00000  131.00000
   73    74    80    70.00000  121.90000
   74    76    77    35.00000  130.70000
   74    76    78    80.00000  111.29200
   74    80    79    70.00000  110.00000
   76    78    79   120.00000   89.04400
   78    76    77    40.00000  122.38200
   78    79    80    80.00000  114.57700
   78    79    81    65.00000  125.49400
   79    81    82    45.00000  109.19200
   79    81    83    70.00000  112.56400
   79    81    87    70.00000  112.56400
   80    74    76    70.00000  111.00000
   81    79    80    65.00000  125.57700
   81    83    84    37.50000  110.70000
   81    83    85    37.50000  110.70000
   81    83    86    37.50000  110.70000
   81    87    88    37.50000  110.70000
   81    87    89    37.50000  110.70000
   81    87    90    37.50000  110.70000
   83    81    82    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   87    81    82    37.50000  110.70000
   87    81    83    58.35000  112.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   75    69    70    70.00000  111.00000
   75    73    74    65.00000  126.92000
   58    49    50    35.00000  109.50000
   58    49    56    85.00000  110.90400
   58    65    66    35.00000  109.50000
   58    65    67    35.00000  109.50000
   58    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   42    33    37    50.00000  109.50000
   42    33    40    50.00000  109.50000
   42    51    52    35.00000  109.50000
   42    51    53    35.00000  109.50000
   42    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   0.57400  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    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    45   0.44750  1.0 1.0
   29    33    40    45  -0.17800 -1.0 2.0
   29    33    40    45   0.20200  1.0 3.0
   29    33    40    49   0.44750  1.0 1.0
   29    33    40    49  -0.17800 -1.0 2.0
   29    33    40    49   0.20200  1.0 3.0
   29    33    42    51   0.14700  1.0 1.0
   29    33    42    51  -1.16150 -1.0 2.0
   29    33    42    51   0.48700  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    55   0.36750  1.0 3.0
   33    40    45    46   0.15000  1.0 3.0
   33    40    45    47   0.15000  1.0 3.0
   33    40    45    48   0.15000  1.0 3.0
   33    40    49    50   0.15000  1.0 3.0
   33    40    49    56   0.34400  1.0 1.0
   33    40    49    56   0.09450 -1.0 2.0
   33    40    49    56   0.11100  1.0 3.0
   33    40    49    58   0.62750  1.0 1.0
   33    40    49    58  -0.30950 -1.0 2.0
   33    40    49    58   0.27300  1.0 3.0
   33    42    51    52   0.37050  1.0 3.0
   33    42    51    53   0.37050  1.0 3.0
   33    42    51    54   0.37050  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    45   0.56750  1.0 1.0
   37    33    40    45  -0.07550 -1.0 2.0
   37    33    40    45   0.20000  1.0 3.0
   37    33    40    49   0.56750  1.0 1.0
   37    33    40    49  -0.07550 -1.0 2.0
   37    33    40    49   0.20000  1.0 3.0
   37    33    42    51   0.06250  1.0 1.0
   37    33    42    51  -0.01100 -1.0 2.0
   37    33    42    51   0.28050  1.0 3.0
   37    43    55    59   1.63150  1.0 1.0
   37    43    55    59   2.92000 -1.0 2.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    55   0.00000  1.0 1.0
   39    37    43    44   0.00000  1.0 1.0
   39    37    43    55   0.00000  1.0 1.0
   43    55    59    60   0.08050  1.0 3.0
   43    55    59    61   0.08050  1.0 3.0
   43    55    59    62   0.08050  1.0 3.0
   44    43    55    59   3.00000 -1.0 2.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43  -0.95700  1.0 1.0
   40    33    37    43  -0.18200 -1.0 2.0
   40    33    37    43   0.29450  1.0 3.0
   40    33    42    51   0.06250  1.0 1.0
   40    33    42    51  -0.01100 -1.0 2.0
   40    33    42    51   0.28050  1.0 3.0
   40    49    56    57   0.00000  1.0 1.0
   40    49    56    63   0.09850  1.0 1.0
   40    49    56    63   0.15250 -1.0 2.0
   40    49    56    63  -0.50650  1.0 3.0
   40    49    58    65   0.06250  1.0 1.0
   40    49    58    65  -0.01100 -1.0 2.0
   40    49    58    65   0.28050  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    48   0.15000  1.0 3.0
   41    40    49    50   0.15000  1.0 3.0
   41    40    49    56   0.15000  1.0 3.0
   41    40    49    58   0.23400  1.0 3.0
   45    40    49    50   0.15000  1.0 3.0
   45    40    49    56   0.34400  1.0 1.0
   45    40    49    56   0.09450 -1.0 2.0
   45    40    49    56   0.11100  1.0 3.0
   45    40    49    58   0.62750  1.0 1.0
   45    40    49    58  -0.30950 -1.0 2.0
   45    40    49    58   0.27300  1.0 3.0
   49    40    45    46   0.15000  1.0 3.0
   49    40    45    47   0.15000  1.0 3.0
   49    40    45    48   0.15000  1.0 3.0
   49    56    63    64   7.00000 -1.0 2.0
   49    56    63    69   7.00000 -1.0 2.0
   49    58    65    66   0.37050  1.0 3.0
   49    58    65    67   0.37050  1.0 3.0
   49    58    65    68   0.37050  1.0 3.0
   50    49    56    57   0.33100  1.0 3.0
   50    49    56    63   0.00000  1.0 1.0
   50    49    58    65   0.37050  1.0 3.0
   56    49    58    65  -0.77900  1.0 1.0
   56    49    58    65  -0.36900 -1.0 2.0
   56    49    58    65   0.40400  1.0 3.0
   56    63    69    70   0.15800  1.0 1.0
   56    63    69    70   1.85350 -1.0 2.0
   56    63    69    70  -0.48700  1.0 3.0
   56    63    69    75   0.11450  1.0 1.0
   56    63    69    75   1.85100 -1.0 2.0
   56    63    69    75  -0.49050  1.0 3.0
   57    56    63    64   7.00000 -1.0 2.0
   57    56    63    69   7.00000 -1.0 2.0
   63    69    70    71   3.62500 -1.0 2.0
   63    69    70    72   3.62500 -1.0 2.0
   63    69    75    73   3.62500 -1.0 2.0
   64    63    69    70   0.56550  1.0 3.0
   64    63    69    75   0.54250  1.0 3.0
   69    70   -72    73   3.62500 -1.0 2.0
   70    69   -75    73   2.40000 -1.0 2.0
   70    72    73    74   3.62500 -1.0 2.0
   70    72   -73    75   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   72    73    74    76   0.13800  1.0 1.0
   72    73    74    76   0.61700 -1.0 2.0
   72    73    74    76   0.18800  1.0 3.0
   72    73    74    80  -0.86650  1.0 1.0
   72    73    74    80   1.49250 -1.0 2.0
   72    73    74    80   0.28400  1.0 3.0
   72    73   -75    69   3.62500 -1.0 2.0
   73    74    76    77   3.62500 -1.0 2.0
   73    74    76    78   3.62500 -1.0 2.0
   73    74    80    79   3.62500 -1.0 2.0
   74    73    75    69   3.62500 -1.0 2.0
   74    76   -78    79   3.62500 -1.0 2.0
   76    74   -80    79   2.40000 -1.0 2.0
   76    78   -79    80   3.62500 -1.0 2.0
   76    78    79    81   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   78    79   -80    74   3.62500 -1.0 2.0
   78    79    81    82   0.00000  1.0 1.0
   78    79    81    83  -1.00500  1.0 1.0
   78    79    81    83  -0.91300 -1.0 2.0
   78    79    81    83   0.11400  1.0 3.0
   78    79    81    87  -1.00500  1.0 1.0
   78    79    81    87  -0.91300 -1.0 2.0
   78    79    81    87   0.11400  1.0 3.0
   79    81    83    84   0.43200  1.0 3.0
   79    81    83    85   0.43200  1.0 3.0
   79    81    83    86   0.43200  1.0 3.0
   79    81    87    88   0.43200  1.0 3.0
   79    81    87    89   0.43200  1.0 3.0
   79    81    87    90   0.43200  1.0 3.0
   80    74    76    77   3.62500 -1.0 2.0
   80    74   -76    78   3.62500 -1.0 2.0
   80    79    81    82   0.00000  1.0 1.0
   80    79    81    83   0.29300  1.0 1.0
   80    79    81    83  -1.19700 -1.0 2.0
   80    79    81    83   0.60900  1.0 3.0
   80    79    81    87   0.29300  1.0 1.0
   80    79    81    87  -1.19700 -1.0 2.0
   80    79    81    87   0.60900  1.0 3.0
   81    79    80    74   3.62500 -1.0 2.0
   82    81    83    84   0.15000  1.0 3.0
   82    81    83    85   0.15000  1.0 3.0
   82    81    83    86   0.15000  1.0 3.0
   82    81    87    88   0.15000  1.0 3.0
   82    81    87    89   0.15000  1.0 3.0
   82    81    87    90   0.15000  1.0 3.0
   83    81    87    88   0.15000  1.0 3.0
   83    81    87    89   0.15000  1.0 3.0
   83    81    87    90   0.15000  1.0 3.0
   87    81    83    84   0.15000  1.0 3.0
   87    81    83    85   0.15000  1.0 3.0
   87    81    83    86   0.15000  1.0 3.0
   75    69    70    71   3.62500 -1.0 2.0
   75    69   -70    72   3.62500 -1.0 2.0
   75    73    74    76   0.04300  1.0 1.0
   75    73    74    76   0.58850 -1.0 2.0
   75    73    74    76   0.22750  1.0 3.0
   75    73    74    80   0.60800  1.0 1.0
   75    73    74    80   1.31550 -1.0 2.0
   75    73    74    80   1.01100  1.0 3.0
   58    49    56    57   0.00000  1.0 1.0
   58    49    56    63   0.39000  1.0 1.0
   58    49    56    63  -0.05800 -1.0 2.0
   58    49    56    63  -0.55150  1.0 3.0
   42    33    37    38   0.23400  1.0 3.0
   42    33    37    39   0.23400  1.0 3.0
   42    33    37    43  -0.09450  1.0 1.0
   42    33    37    43  -1.12950 -1.0 2.0
   42    33    37    43   0.54000  1.0 3.0
   42    33    40    41   0.23400  1.0 3.0
   42    33    40    45   0.62750  1.0 1.0
   42    33    40    45  -0.30950 -1.0 2.0
   42    33    40    45   0.27300  1.0 3.0
   42    33    40    49   0.62750  1.0 1.0
   42    33    40    49  -0.30950 -1.0 2.0
   42    33    40    49   0.27300  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
   36    30    34    35  10.50000 -1.0 2.0
   37    55    43    44  10.50000 -1.0 2.0
   49    57    56    63  15.00000 -1.0 2.0
   69    64    63    56  15.00000 -1.0 2.0
   70    75    69    63   4.00000 -1.0 2.0
   72    71    70    69   1.10000 -1.0 2.0
   74    75    73    72   4.00000 -1.0 2.0
   76    80    74    73   4.00000 -1.0 2.0
   78    77    76    74   1.10000 -1.0 2.0
   81    80    79    78   4.00000 -1.0 2.0
END
