* LIGAND DATABASE FILE (OPLS2005)
*
001      88    89    157    229     451
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02041   103.98724   -36.54856
    3     1 S   H    _H1_     3     1.02036    69.78295    68.59692
    4     1 S   H    _H2_     4     1.02106    43.37630  -139.05169
    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   110.56213    58.83396
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   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   _C16    36     1.84156    97.55847   161.84627
   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   CM   _C12    37     1.53146   108.58498   159.97336
   38    33 S   CT   _C20    76     1.53867   107.14367   -75.32236
   39    38 S   HC   _H44    77     1.08540   109.34126    59.28107
   40    38 S   HC   _H45    78     1.08599   109.29176   -61.69577
   41    37 S   CT   _C15    38     1.53623   118.09685   -85.92007
   42    41 S   HC   _H34    39     1.09877   108.50823  -154.52894
   43    37 S   CMA  _C14    66     1.34674   123.35892    98.24736
   44    43 S   OM   _O23    67     1.26974   124.32173    -4.14085
   45    38 S   OS   _O27    79     1.41178   108.02394   178.80942
   46    41 S   CA   _C8_    40     1.50083   110.83452    88.76984
   47    41 S   CM   _C10    51     1.51959   112.26078   -35.63526
   48    43 S   OS   _O26    68     1.42200   109.87670   175.88924
   49    45 S   CT   _C23    80     1.42509   111.91360  -179.98022
   50    49 S   HC   _H50    81     1.09439   107.95124   -60.03395
   51    49 S   HC   _H51    82     1.09450   108.75411    58.11197
   52    46 S   CA   _C6_    41     1.39434   118.35593   -92.08228
   53    52 S   HA   _H32    42     1.08750   120.59779     0.05234
   54    47 S   CM   _C11    52     1.34903   121.86334    18.91133
   55    47 S   CO4  _C13    59     1.47255   116.06444  -159.02289
   56    55 S   O    _O24    60     1.21658   123.32100   -62.09623
   57    48 S   CT   _C22    69     1.42640   115.99561  -119.99370
   58    57 S   HC   _H48    70     1.09391   108.79020   -59.35820
   59    57 S   HC   _H49    71     1.09484   108.78222    59.40457
   60    49 S   CT   _C21    83     1.51749   109.39761  -179.72164
   61    60 S   HC   _H46    84     1.09529   111.25967   -61.91062
   62    60 S   HC   _H47    85     1.09404   110.40741    59.39802
   63    52 S   CA   _C4_    43     1.39549   119.98619  -179.86012
   64    63 S   HA   _H30    44     1.08608   119.96763  -179.98022
   65    33 S   NE   _N21    53     1.45868   108.65503    40.20897
   66    65 S   H    _H52    54     1.01649   116.93390   -71.44916
   67    54 S   CT   _C17    55     1.50726   124.61693   177.94462
   68    67 S   HC   _H35    56     1.08526   109.11259    89.91683
   69    67 S   HC   _H36    57     1.08535   109.08440   -30.15162
   70    67 S   HC   _H37    58     1.08506   109.13560  -149.80240
   71    55 S   OS   _O25    61     1.35450   108.38267   117.85518
   72    57 S   CT   _C18    72     1.51388   108.99539  -179.98022
   73    72 S   HC   _H38    73     1.09324   110.85553   -60.50798
   74    72 S   HC   _H39    74     1.09411   110.64317    60.39443
   75    72 S   HC   _H40    75     1.09514   110.59588   178.69764
   76    60 S   NTH2 _N22    86     1.48076   109.58005   178.44934
   77    76 S   H    _H53    87     0.98725   117.01496  -155.21574
   78    76 S   H    _H54    88     0.98813   117.03206    38.19873
   79    63 S   CA   _C5_    45     1.39448   119.99056    -0.05935
   80    79 S   HA   _H31    46     1.08600   119.93509  -179.92867
   81    71 S   CT   _C19    62     1.43094   115.10312  -179.98022
   82    81 S   HC   _H41    63     1.09298   109.53930  -180.00000
   83    81 S   HC   _H42    64     1.09270   109.52198    59.19854
   84    81 S   HC   _H43    65     1.09289   108.98617   -60.41484
   85    79 S   CA   _C7_    47     1.39476   119.99594     0.02798
   86    85 S   HA   _H33    48     1.08773   119.05751  -179.96044
   87    46 S   CA   _C9_    49     1.39448   121.62079    87.99996
   88    87 S   Cl   CL29    50     1.72643   121.35080    -0.09691
  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
  17   2   1   1  18  12   4   3  18   7   9   2   8  12  13   7
   8   5   4   8   4   9   8   2   6   5   4   5   4   3   6   3
   5   1   3   2   1   1   4   3   2   1   1   2   1   1   5   3
   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    65    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    54    65    66    43    38    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    46    47    54    65    66    67    43    44    48    38    39    40    45    49  
   35    36  
   36  
    0  
   41    42    46    52    87    47    54    65    66    55    43    44    48    57    38    39    40    45  
   39    40    45    49    50    51    60    41    43    54    65    66  
   40    45    49    65  
   45    49    65  
   42    46    52    53    63    85    87    88    47    54    65    67    55    56    71    43    44    48  
   46    52    87    47    54    55    43  
   44    48    57    58    59    72    46    47    65  
   48    57  
   49    50    51    60    61    62    76    65  
   52    53    63    64    79    85    86    87    88    47    54    55  
   54    65    66    67    68    69    70    55    56    71    81    52    87  
   57    58    59    72    73    74    75  
   50    51    60    61    62    76    77    78  
   51    60    61    62    76  
   60    61    62    76  
   53    63    64    79    80    85    87    88  
   63    64    79    87  
   65    66    67    68    69    70    55    56    71  
   56    71    81    82    83    84    65    67  
   71    81  
   58    59    72    73    74    75  
   59    72    73    74    75  
   72    73    74    75  
   61    62    76    77    78  
   62    76    77    78  
   76    77    78  
   64    79    80    85    86    87  
   79    80    85  
   66    67    68    69    70  
   67  
   68    69    70  
   69    70  
   70  
    0  
   81    82    83    84  
   73    74    75  
   74    75  
   75  
    0  
   77    78  
   78  
    0  
   80    85    86    87    88  
   85    86    87  
   82    83    84  
   83    84  
   84  
    0  
   86    87    88  
   87    88  
   88  
    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   0.402800   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   66   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   77   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   78   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   87   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   88   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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   317.000  1.510
   33    65   382.000  1.448
   33    38   268.000  1.529
   37    41   317.000  1.510
   37    43   465.000  1.376
   41    42   340.000  1.090
   41    46   317.000  1.510
   41    47   317.000  1.510
   46    52   469.000  1.400
   46    87   469.000  1.400
   52    53   367.000  1.080
   52    63   469.000  1.400
   63    64   367.000  1.080
   63    79   469.000  1.400
   79    80   367.000  1.080
   79    85   469.000  1.400
   85    86   367.000  1.080
   85    87   469.000  1.400
   87    88   300.000  1.725
   47    54   549.000  1.340
   47    55   320.000  1.462
   54    65   425.000  1.378
   54    67   317.000  1.510
   65    66   434.000  1.010
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   55    56   570.000  1.229
   55    71   214.000  1.327
   71    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   43    44   745.000  1.250
   43    48   440.000  1.360
   48    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    45   320.000  1.410
   45    49   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    76   300.000  1.468
   76    77   495.000  1.019
   76    78   495.000  1.019
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  112.20000
   29    33    65    80.00000  108.62000
   29    33    38    75.00000  111.63000
   33    37    41    65.00000  117.92700
   33    37    43    70.00000  124.00000
   33    65    54    50.00000  121.00000
   33    65    66    35.00000  112.50000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    45    50.00000  109.50000
   37    41    42    35.00000  109.50000
   37    41    46    70.00000  112.99600
   37    41    47    70.00000  110.12100
   37    43    44    65.00000  137.10300
   37    43    48    80.00000  120.01400
   41    46    52    70.00000  120.00000
   41    46    87    70.00000  120.00000
   41    47    54    70.00000  124.00000
   41    47    55    65.00000  116.34900
   46    41    42    35.00000  109.50000
   46    52    53    35.00000  120.00000
   46    52    63    63.00000  120.00000
   46    87    85    63.00000  120.00000
   46    87    88    75.00000  120.00000
   52    63    64    35.00000  120.00000
   52    63    79    63.00000  120.00000
   63    52    53    35.00000  120.00000
   63    79    80    35.00000  120.00000
   63    79    85    63.00000  120.00000
   79    63    64    35.00000  120.00000
   79    85    86    35.00000  120.00000
   79    85    87    63.00000  120.00000
   85    79    80    35.00000  120.00000
   85    87    88    75.00000  120.00000
   87    46    52    63.00000  120.00000
   87    85    86    35.00000  120.00000
   47    41    42    35.00000  109.50000
   47    41    46    70.00000  112.99600
   47    54    65    70.00000  124.03900
   47    54    67    70.00000  124.00000
   47    55    56    80.00000  123.72100
   47    55    71    90.00000  111.29400
   54    65    66    35.00000  114.50000
   54    67    68    35.00000  109.50000
   54    67    69    35.00000  109.50000
   54    67    70    35.00000  109.50000
   65    33    37    80.00000  112.42400
   67    54    65    75.00000  116.24600
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   55    47    54    65.00000  118.96000
   55    71    81    83.00000  116.90000
   71    55    56    83.00000  123.40000
   71    81    82    35.00000  109.50000
   71    81    83    35.00000  109.50000
   71    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   43    37    41    70.00000  124.00000
   43    48    57    90.00000  111.18400
   48    43    44    65.00000  121.00000
   48    57    58    35.00000  109.50000
   48    57    59    35.00000  109.50000
   48    57    72    50.00000  109.50000
   57    72    73    37.50000  110.70000
   57    72    74    37.50000  110.70000
   57    72    75    37.50000  110.70000
   59    57    58    33.00000  107.80000
   72    57    58    37.50000  110.70000
   72    57    59    37.50000  110.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    65    80.00000  111.61500
   38    45    49    60.00000  109.50000
   40    38    39    33.00000  107.80000
   45    38    39    35.00000  109.50000
   45    38    40    35.00000  109.50000
   45    49    50    35.00000  109.50000
   45    49    51    35.00000  109.50000
   45    49    60    50.00000  109.50000
   49    60    61    37.50000  110.70000
   49    60    62    37.50000  110.70000
   49    60    76    80.00000  112.76400
   51    49    50    33.00000  107.80000
   60    49    50    37.50000  110.70000
   60    49    51    37.50000  110.70000
   60    76    77    50.00000  110.30900
   60    76    78    50.00000  110.30900
   62    60    61    33.00000  107.80000
   76    60    61    50.00000  110.79000
   76    60    62    50.00000  110.79000
   78    76    77    40.00000  106.77200
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    65   0.01700  1.0 1.0
   24    29    33    65  -0.23550 -1.0 2.0
   24    29    33    65   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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    41   0.30250  1.0 1.0
   29    33    37    41  -0.14950 -1.0 2.0
   29    33    37    41   0.36900  1.0 3.0
   29    33    37    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    65    54  -0.12500  1.0 1.0
   29    33    65    54  -0.12500 -1.0 2.0
   29    33    65    54   0.25000  1.0 3.0
   29    33    65    66  -0.12500  1.0 1.0
   29    33    65    66  -0.12500 -1.0 2.0
   29    33    65    66   0.25000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   33    37    41    42   0.34800  1.0 3.0
   33    37    41    46   0.09700  1.0 1.0
   33    37    41    46   0.15600 -1.0 2.0
   33    37    41    46  -0.50800  1.0 3.0
   33    37    41    47   0.09700  1.0 1.0
   33    37    41    47   0.15600 -1.0 2.0
   33    37    41    47  -0.50800  1.0 3.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37    43    48   7.00000 -1.0 2.0
   33    38    45    49   0.06250  1.0 1.0
   33    38    45    49  -0.01100 -1.0 2.0
   33    38    45    49   0.28050  1.0 3.0
   37    33    65    54  -0.12500  1.0 1.0
   37    33    65    54  -0.12500 -1.0 2.0
   37    33    65    54   0.25000  1.0 3.0
   37    33    65    66  -0.12500  1.0 1.0
   37    33    65    66  -0.12500 -1.0 2.0
   37    33    65    66   0.25000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    45   0.61850  1.0 1.0
   37    33    38    45  -0.22750 -1.0 2.0
   37    33    38    45   0.15300  1.0 3.0
   37    41    46    52   0.18050 -1.0 2.0
   37    41    46    87   0.18050 -1.0 2.0
   37    41   -47    54  -0.28300  1.0 1.0
   37    41   -47    54   0.26700 -1.0 2.0
   37    41   -47    54  -0.63300  1.0 3.0
   37    41    47    55   0.09700  1.0 1.0
   37    41    47    55   0.15600 -1.0 2.0
   37    41    47    55  -0.50800  1.0 3.0
   37    43    48    57  -2.26850  1.0 1.0
   37    43    48    57   3.39050 -1.0 2.0
   41    37    43    44   7.00000 -1.0 2.0
   41    37    43    48   7.00000 -1.0 2.0
   41    46    52    53   3.62500 -1.0 2.0
   41    46    52    63   3.62500 -1.0 2.0
   41    46    87    85   3.62500 -1.0 2.0
   41    46    87    88   3.62500 -1.0 2.0
   41    47    54    65   7.00000 -1.0 2.0
   41    47    54    67   7.00000 -1.0 2.0
   41    47    55    56  -0.64400  1.0 1.0
   41    47    55    56   0.26850 -1.0 2.0
   41    47    55    71  -0.15000  1.0 1.0
   41    47    55    71   0.89550 -1.0 2.0
   41    47    55    71  -0.06900  1.0 3.0
   42    41    46    52   0.00000  1.0 1.0
   42    41    46    87   0.00000  1.0 1.0
   42    41    47    54   0.00000  1.0 1.0
   42    41    47    55   0.15000  1.0 3.0
   46    41    47    54   1.44450  1.0 1.0
   46    41    47    54   0.06600 -1.0 2.0
   46    41    47    54   0.29250  1.0 3.0
   46    41    47    55   0.09700  1.0 1.0
   46    41    47    55   0.15600 -1.0 2.0
   46    41    47    55  -0.50800  1.0 3.0
   46    52    63    64   3.62500 -1.0 2.0
   46    52    63    79   3.62500 -1.0 2.0
   52    46    87    85   3.62500 -1.0 2.0
   52    46    87    88   3.62500 -1.0 2.0
   52    63    79    80   3.62500 -1.0 2.0
   52    63   -79    85   3.62500 -1.0 2.0
   53    52    63    64   3.62500 -1.0 2.0
   53    52    63    79   3.62500 -1.0 2.0
   63    79    85    86   3.62500 -1.0 2.0
   63    79    85    87   3.62500 -1.0 2.0
   64    63    79    80   3.62500 -1.0 2.0
   64    63    79    85   3.62500 -1.0 2.0
   79    85   -87    46   3.62500 -1.0 2.0
   79    85    87    88   3.62500 -1.0 2.0
   80    79    85    86   3.62500 -1.0 2.0
   80    79    85    87   3.62500 -1.0 2.0
   86    85    87    46   3.62500 -1.0 2.0
   86    85    87    88   3.62500 -1.0 2.0
   87    46    52    53   3.62500 -1.0 2.0
   87    46   -52    63   3.62500 -1.0 2.0
   47    41    46    52   0.18050 -1.0 2.0
   47    41    46    87   0.18050 -1.0 2.0
   47    54   -65    33  -0.54700  1.0 1.0
   47    54   -65    33   1.23000 -1.0 2.0
   47    54    65    66   1.00000 -1.0 2.0
   47    54    67    68   0.00000  1.0 1.0
   47    54    67    69   0.00000  1.0 1.0
   47    54    67    70   0.00000  1.0 1.0
   47    55    71    81   2.00000 -1.0 2.0
   54    47    55    56   1.00000 -1.0 2.0
   54    47    55    71  -0.56150  1.0 1.0
   54    47    55    71   2.19150 -1.0 2.0
   65    33   -37    41   0.09700  1.0 1.0
   65    33   -37    41   0.15600 -1.0 2.0
   65    33   -37    41  -0.50800  1.0 3.0
   65    33    37    43   0.62150  1.0 1.0
   65    33    37    43   0.42850 -1.0 2.0
   65    33    37    43  -0.68200  1.0 3.0
   65    33    38    39   0.22950  1.0 3.0
   65    33    38    40   0.22950  1.0 3.0
   65    33    38    45   2.03850  1.0 1.0
   65    33    38    45  -0.40600 -1.0 2.0
   65    54    67    68  -0.18050  1.0 3.0
   65    54    67    69  -0.18050  1.0 3.0
   65    54    67    70  -0.18050  1.0 3.0
   67    54    65    33   1.00000 -1.0 2.0
   67    54    65    66   2.40850 -1.0 2.0
   55    47    54    65   7.00000 -1.0 2.0
   55    47    54    67   7.00000 -1.0 2.0
   55    71    81    82   0.08050  1.0 3.0
   55    71    81    83   0.08050  1.0 3.0
   55    71    81    84   0.08050  1.0 3.0
   56    55    71    81   3.00000 -1.0 2.0
   43    37    41    42   0.00000  1.0 1.0
   43    37    41    46   1.44450  1.0 1.0
   43    37    41    46   0.06600 -1.0 2.0
   43    37    41    46   0.29250  1.0 3.0
   43    37    41    47  -0.28300  1.0 1.0
   43    37    41    47   0.26700 -1.0 2.0
   43    37    41    47  -0.63300  1.0 3.0
   43    48    57    58   0.08050  1.0 3.0
   43    48    57    59   0.08050  1.0 3.0
   43    48    57    72  -0.46850  1.0 1.0
   43    48    57    72   0.09300 -1.0 2.0
   43    48    57    72  -0.12850  1.0 3.0
   44    43    48    57   2.00000 -1.0 2.0
   48    57    72    73   0.23400  1.0 3.0
   48    57    72    74   0.23400  1.0 3.0
   48    57    72    75   0.23400  1.0 3.0
   58    57    72    73   0.15000  1.0 3.0
   58    57    72    74   0.15000  1.0 3.0
   58    57    72    75   0.15000  1.0 3.0
   59    57    72    73   0.15000  1.0 3.0
   59    57    72    74   0.15000  1.0 3.0
   59    57    72    75   0.15000  1.0 3.0
   38    33    37    41   0.46850  1.0 1.0
   38    33    37    41   0.08550 -1.0 2.0
   38    33    37    41   0.09800  1.0 3.0
   38    33    37    43   0.09850  1.0 1.0
   38    33    37    43   0.15250 -1.0 2.0
   38    33    37    43  -0.50650  1.0 3.0
   38    33    65    54   0.25450  1.0 1.0
   38    33    65    54  -0.61700 -1.0 2.0
   38    33    65    54  -0.23550  1.0 3.0
   38    33    65    66   0.00000  1.0 1.0
   38    45    49    50   0.37050  1.0 3.0
   38    45    49    51   0.37050  1.0 3.0
   38    45    49    60   0.06250  1.0 1.0
   38    45    49    60  -0.01100 -1.0 2.0
   38    45    49    60   0.28050  1.0 3.0
   39    38    45    49   0.37050  1.0 3.0
   40    38    45    49   0.37050  1.0 3.0
   45    49    60    61   0.23400  1.0 3.0
   45    49    60    62   0.23400  1.0 3.0
   45    49    60    76   3.18800  1.0 1.0
   45    49    60    76  -1.12350 -1.0 2.0
   49    60    76    77   0.21650  1.0 1.0
   49    60    76    77   0.26250 -1.0 2.0
   49    60    76    77   0.12450  1.0 3.0
   49    60    76    78   0.21650  1.0 1.0
   49    60    76    78   0.26250 -1.0 2.0
   49    60    76    78   0.12450  1.0 3.0
   50    49    60    61   0.15000  1.0 3.0
   50    49    60    62   0.15000  1.0 3.0
   50    49    60    76   0.15000  1.0 3.0
   51    49    60    61   0.15000  1.0 3.0
   51    49    60    62   0.15000  1.0 3.0
   51    49    60    76   0.15000  1.0 3.0
   61    60    76    77   0.20000  1.0 3.0
   61    60    76    78   0.20000  1.0 3.0
   62    60    76    77   0.20000  1.0 3.0
   62    60    76    78   0.20000  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
   33    41    37    43   1.10000 -1.0 2.0
   52    87    46    41   4.00000 -1.0 2.0
   63    53    52    46   1.10000 -1.0 2.0
   79    64    63    52   1.10000 -1.0 2.0
   85    80    79    63   1.10000 -1.0 2.0
   87    86    85    79   1.10000 -1.0 2.0
   85    88    87    46   4.00000 -1.0 2.0
   41    55    47    54   1.10000 -1.0 2.0
   67    65    54    47   1.10000 -1.0 2.0
   66    54    65    33   1.00000 -1.0 2.0
   47    71    55    56  10.50000 -1.0 2.0
   44    48    43    37   1.10000 -1.0 2.0
END
