* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    160    236     463
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02096   102.50180    13.26394
    3     1 S   H    _H1_     3     1.02103    40.67130   117.49636
    4     1 S   H    _H2_     4     1.02161    73.25535   -92.74987
    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     1.08491   110.56590    58.77998
   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     1.84419    97.46023  -178.14776
   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   _C15    37     1.55190   113.47850  -160.02415
   38    37 S   HC   _H35    38     1.10096   107.23499  -169.84975
   39    33 S   CT   _C20    77     1.53610   107.20740    76.96219
   40    39 S   HC   _H45    78     1.08718   109.51380    64.50699
   41    39 S   HC   _H46    79     1.08697   109.44349   -56.38929
   42    37 S   CT   _C14    39     1.56068   113.27025    70.86229
   43    42 S   HC   _H34    40     1.11448   109.18664   -80.39929
   44    37 S   CO4  _C13    67     1.50742   111.96266   -54.76332
   45    44 S   O    _O24    68     1.22365   124.03152    93.73411
   46    39 S   OS   _O27    80     1.41272   108.19260  -175.93288
   47    42 S   CA   _C8_    41     1.53004   109.34308   164.51748
   48    42 S   CM   _C10    52     1.52754   112.37928    38.51749
   49    44 S   OS   _O26    69     1.36314   109.56081   -86.23520
   50    46 S   CT   _C23    81     1.42433   111.83608   180.00000
   51    50 S   HC   _H51    82     1.09527   107.97780   -60.03789
   52    50 S   HC   _H52    83     1.09451   108.78158    58.16862
   53    47 S   CA   _C6_    42     1.39518   118.37681   -62.66834
   54    53 S   HA   _H32    43     1.08748   120.56213     0.12511
   55    48 S   CM   _C11    53     1.35199   121.95082   -10.65712
   56    48 S   CO4  _C12    60     1.47455   117.42996   172.83243
   57    56 S   O    _O23    61     1.21607   123.25523   -93.43406
   58    49 S   CT   _C22    70     1.43152   115.44542  -180.00000
   59    58 S   HC   _H49    71     1.09456   108.75975   -59.39521
   60    58 S   HC   _H50    72     1.09431   108.82831    59.33492
   61    50 S   CT   _C21    84     1.51822   109.36409  -179.69933
   62    61 S   HC   _H47    85     1.09487   111.18455   -61.88743
   63    61 S   HC   _H48    86     1.09402   110.40355    59.39074
   64    53 S   CA   _C4_    44     1.39463   120.00338  -179.89347
   65    64 S   HA   _H30    45     1.08673   120.00029  -179.92338
   66    33 S   NE   _N21    54     1.45762   108.86861   -39.79781
   67    66 S   H    _H53    55     1.01632   117.63049    77.68450
   68    55 S   CT   _C17    56     1.50640   124.46421   176.73811
   69    68 S   HC   _H36    57     1.08532   109.13393    90.00726
   70    68 S   HC   _H37    58     1.08554   109.20585   -30.13998
   71    68 S   HC   _H38    59     1.08545   109.17368  -149.80263
   72    56 S   OS   _O25    62     1.35415   108.31440    86.57645
   73    58 S   CT   _C18    73     1.51339   109.00692   180.00000
   74    73 S   HC   _H39    74     1.09321   110.92966   -60.50942
   75    73 S   HC   _H40    75     1.09496   110.68107    60.35783
   76    73 S   HC   _H41    76     1.09530   110.59842   178.66925
   77    61 S   NTH2 _N22    87     1.48135   109.56750   178.46392
   78    77 S   H    _H54    88     0.98746   116.95407  -155.26855
   79    77 S   H    _H55    89     0.98742   117.03219    38.19818
   80    64 S   CA   _C5_    46     1.39476   120.01928    -0.01978
   81    80 S   HA   _H31    47     1.08643   119.96787  -179.92598
   82    72 S   CT   _C19    63     1.43122   114.98669   180.00000
   83    82 S   HC   _H42    64     1.09284   109.51247   179.97202
   84    82 S   HC   _H43    65     1.09328   109.53126    59.21952
   85    82 S   HC   _H44    66     1.09220   109.02526   -60.37773
   86    80 S   CA   _C7_    48     1.39424   120.00351     0.05234
   87    86 S   HA   _H33    49     1.08667   119.11157  -179.91153
   88    47 S   CA   _C9_    50     1.39492   121.65141   117.48202
   89    88 S   Cl   CL29    51     1.72548   121.31901    -0.14671
  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  12   5   4   3
  18   2   1   1  19   9  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    66    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    55    66    67    44    39    40    41    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    47    48    55    66    67    68    44    45    49    39    40    41    46    50  
   35    36  
   36  
    0  
   38    42    43    47    53    88    48    55    66    67    56    44    45    49    58    39    40    41    46  
   42    43    47    48    66    44    45    49    39  
   40    41    46    50    51    52    61    42    44    55    66    67  
   41    46    50    66  
   46    50    66  
   43    47    53    54    64    86    88    89    48    55    66    68    56    57    72    44    45    49  
   47    53    88    48    55    56    44  
   45    49    58    59    60    73    47    48    66  
   49    58  
   50    51    52    61    62    63    77    66  
   53    54    64    65    80    86    87    88    89    48    55    56  
   55    66    67    68    69    70    71    56    57    72    82    53    88  
   58    59    60    73    74    75    76  
   51    52    61    62    63    77    78    79  
   52    61    62    63    77  
   61    62    63    77  
   54    64    65    80    81    86    88    89  
   64    65    80    88  
   66    67    68    69    70    71    56    57    72  
   57    72    82    83    84    85    66    68  
   72    82  
   59    60    73    74    75    76  
   60    73    74    75    76  
   73    74    75    76  
   62    63    77    78    79  
   63    77    78    79  
   77    78    79  
   65    80    81    86    87    88  
   80    81    86  
   67    68    69    70    71  
   68  
   69    70    71  
   70    71  
   71  
    0  
   82    83    84    85  
   74    75    76  
   75    76  
   76  
    0  
   78    79  
   79  
    0  
   81    86    87    88    89  
   86    87    88  
   83    84    85  
   84    85  
   85  
    0  
   87    88    89  
   88    89  
   89  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660   0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   67   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   78   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   79   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   88   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   89   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   268.000  1.529
   33    66   382.000  1.448
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    42   268.000  1.529
   37    44   317.000  1.522
   42    43   340.000  1.090
   42    47   317.000  1.510
   42    48   317.000  1.510
   47    53   469.000  1.400
   47    88   469.000  1.400
   53    54   367.000  1.080
   53    64   469.000  1.400
   64    65   367.000  1.080
   64    80   469.000  1.400
   80    81   367.000  1.080
   80    86   469.000  1.400
   86    87   367.000  1.080
   86    88   469.000  1.400
   88    89   300.000  1.725
   48    55   549.000  1.340
   48    56   320.000  1.462
   55    66   425.000  1.378
   55    68   317.000  1.510
   66    67   434.000  1.010
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   56    57   570.000  1.229
   56    72   214.000  1.327
   72    82   320.000  1.410
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   44    45   570.000  1.229
   44    49   214.000  1.327
   49    58   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    46   320.000  1.410
   46    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    77   300.000  1.468
   77    78   495.000  1.019
   77    79   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  111.63000
   29    33    66    80.00000  108.62000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    37    44    63.00000  111.10000
   33    66    55    50.00000  121.00000
   33    66    67    35.00000  112.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    46    50.00000  109.50000
   37    42    43    37.50000  110.70000
   37    42    47    70.00000  112.17500
   37    42    48    70.00000  112.02700
   37    44    45    80.00000  120.40000
   37    44    49    81.00000  111.40000
   42    37    38    37.50000  110.70000
   42    47    53    70.00000  120.00000
   42    47    88    70.00000  120.00000
   42    48    55    70.00000  124.00000
   42    48    56    65.00000  116.34900
   47    42    43    35.00000  109.50000
   47    53    54    35.00000  120.00000
   47    53    64    63.00000  120.00000
   47    88    86    63.00000  120.00000
   47    88    89    75.00000  120.00000
   53    64    65    35.00000  120.00000
   53    64    80    63.00000  120.00000
   64    53    54    35.00000  120.00000
   64    80    81    35.00000  120.00000
   64    80    86    63.00000  120.00000
   80    64    65    35.00000  120.00000
   80    86    87    35.00000  120.00000
   80    86    88    63.00000  120.00000
   86    80    81    35.00000  120.00000
   86    88    89    75.00000  120.00000
   88    47    53    63.00000  120.00000
   88    86    87    35.00000  120.00000
   48    42    43    35.00000  109.50000
   48    42    47    70.00000  112.99600
   48    55    66    70.00000  124.03900
   48    55    68    70.00000  124.00000
   48    56    57    80.00000  123.72100
   48    56    72    90.00000  111.29400
   55    66    67    35.00000  114.50000
   55    68    69    35.00000  109.50000
   55    68    70    35.00000  109.50000
   55    68    71    35.00000  109.50000
   66    33    37    80.00000  111.61500
   68    55    66    75.00000  116.24600
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   56    48    55    65.00000  118.96000
   56    72    82    83.00000  116.90000
   72    56    57    83.00000  123.40000
   72    82    83    35.00000  109.50000
   72    82    84    35.00000  109.50000
   72    82    85    35.00000  109.50000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    42    63.00000  111.10000
   44    49    58    83.00000  116.90000
   49    44    45    83.00000  123.40000
   49    58    59    35.00000  109.50000
   49    58    60    35.00000  109.50000
   49    58    73    50.00000  109.50000
   58    73    74    37.50000  110.70000
   58    73    75    37.50000  110.70000
   58    73    76    37.50000  110.70000
   60    58    59    33.00000  107.80000
   73    58    59    37.50000  110.70000
   73    58    60    37.50000  110.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    66    80.00000  111.61500
   39    46    50    60.00000  109.50000
   41    39    40    33.00000  107.80000
   46    39    40    35.00000  109.50000
   46    39    41    35.00000  109.50000
   46    50    51    35.00000  109.50000
   46    50    52    35.00000  109.50000
   46    50    61    50.00000  109.50000
   50    61    62    37.50000  110.70000
   50    61    63    37.50000  110.70000
   50    61    77    80.00000  112.76400
   52    50    51    33.00000  107.80000
   61    50    51    37.50000  110.70000
   61    50    52    37.50000  110.70000
   61    77    78    50.00000  110.30900
   61    77    79    50.00000  110.30900
   63    61    62    33.00000  107.80000
   77    61    62    50.00000  110.79000
   77    61    63    50.00000  110.79000
   79    77    78    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   0.01700  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    66   0.01700  1.0 1.0
   24    29    33    66  -0.23550 -1.0 2.0
   24    29    33    66   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    37    44   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    66    55  -0.12500  1.0 1.0
   29    33    66    55  -0.12500 -1.0 2.0
   29    33    66    55   0.25000  1.0 3.0
   29    33    66    67  -0.12500  1.0 1.0
   29    33    66    67  -0.12500 -1.0 2.0
   29    33    66    67   0.25000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    46   0.56750  1.0 1.0
   29    33    39    46  -0.07550 -1.0 2.0
   29    33    39    46   0.20000  1.0 3.0
   33    37    42    43   0.15000  1.0 3.0
   33    37    42    47  -0.03700  1.0 1.0
   33    37    42    47   0.37200 -1.0 2.0
   33    37    42    47  -0.47300  1.0 3.0
   33    37    42    48   0.34400  1.0 1.0
   33    37    42    48   0.09450 -1.0 2.0
   33    37    42    48   0.11100  1.0 3.0
   33    37    44    45   0.30150 -1.0 2.0
   33    37    44    49   0.36750  1.0 3.0
   33    39    46    50   0.06250  1.0 1.0
   33    39    46    50  -0.01100 -1.0 2.0
   33    39    46    50   0.28050  1.0 3.0
   37    33    66    55   0.25450  1.0 1.0
   37    33    66    55  -0.61700 -1.0 2.0
   37    33    66    55  -0.23550  1.0 3.0
   37    33    66    67   0.00000  1.0 1.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    46   0.62750  1.0 1.0
   37    33    39    46  -0.30950 -1.0 2.0
   37    33    39    46   0.27300  1.0 3.0
   37    42    47    53   0.04150 -1.0 2.0
   37    42    47    88   0.04150 -1.0 2.0
   37    42   -48    55   0.09850  1.0 1.0
   37    42   -48    55   0.15250 -1.0 2.0
   37    42   -48    55  -0.50650  1.0 3.0
   37    42    48    56   0.09700  1.0 1.0
   37    42    48    56   0.15600 -1.0 2.0
   37    42    48    56  -0.50800  1.0 3.0
   37    44    49    58   1.63150  1.0 1.0
   37    44    49    58   2.92000 -1.0 2.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    47   0.43200  1.0 3.0
   38    37    42    48   0.15000  1.0 3.0
   38    37    44    45   0.00000  1.0 1.0
   38    37    44    49   0.00000  1.0 1.0
   42    37    44    45   0.30150 -1.0 2.0
   42    37    44    49   0.36750  1.0 3.0
   42    47    53    54   3.62500 -1.0 2.0
   42    47    53    64   3.62500 -1.0 2.0
   42    47    88    86   3.62500 -1.0 2.0
   42    47    88    89   3.62500 -1.0 2.0
   42    48    55    66   7.00000 -1.0 2.0
   42    48    55    68   7.00000 -1.0 2.0
   42    48    56    57  -0.64400  1.0 1.0
   42    48    56    57   0.26850 -1.0 2.0
   42    48    56    72  -0.15000  1.0 1.0
   42    48    56    72   0.89550 -1.0 2.0
   42    48    56    72  -0.06900  1.0 3.0
   43    42    47    53   0.00000  1.0 1.0
   43    42    47    88   0.00000  1.0 1.0
   43    42    48    55   0.00000  1.0 1.0
   43    42    48    56   0.15000  1.0 3.0
   47    42    48    55   1.44450  1.0 1.0
   47    42    48    55   0.06600 -1.0 2.0
   47    42    48    55   0.29250  1.0 3.0
   47    42    48    56   0.09700  1.0 1.0
   47    42    48    56   0.15600 -1.0 2.0
   47    42    48    56  -0.50800  1.0 3.0
   47    53    64    65   3.62500 -1.0 2.0
   47    53    64    80   3.62500 -1.0 2.0
   53    47    88    86   3.62500 -1.0 2.0
   53    47    88    89   3.62500 -1.0 2.0
   53    64    80    81   3.62500 -1.0 2.0
   53    64   -80    86   3.62500 -1.0 2.0
   54    53    64    65   3.62500 -1.0 2.0
   54    53    64    80   3.62500 -1.0 2.0
   64    80    86    87   3.62500 -1.0 2.0
   64    80    86    88   3.62500 -1.0 2.0
   65    64    80    81   3.62500 -1.0 2.0
   65    64    80    86   3.62500 -1.0 2.0
   80    86   -88    47   3.62500 -1.0 2.0
   80    86    88    89   3.62500 -1.0 2.0
   81    80    86    87   3.62500 -1.0 2.0
   81    80    86    88   3.62500 -1.0 2.0
   87    86    88    47   3.62500 -1.0 2.0
   87    86    88    89   3.62500 -1.0 2.0
   88    47    53    54   3.62500 -1.0 2.0
   88    47   -53    64   3.62500 -1.0 2.0
   48    42    47    53   0.18050 -1.0 2.0
   48    42    47    88   0.18050 -1.0 2.0
   48    55   -66    33  -0.54700  1.0 1.0
   48    55   -66    33   1.23000 -1.0 2.0
   48    55    66    67   1.00000 -1.0 2.0
   48    55    68    69   0.00000  1.0 1.0
   48    55    68    70   0.00000  1.0 1.0
   48    55    68    71   0.00000  1.0 1.0
   48    56    72    82   2.00000 -1.0 2.0
   55    48    56    57   1.00000 -1.0 2.0
   55    48    56    72  -0.56150  1.0 1.0
   55    48    56    72   2.19150 -1.0 2.0
   66    33    37    38   0.22950  1.0 3.0
   66    33   -37    42   1.26750  1.0 1.0
   66    33   -37    42  -0.00950 -1.0 2.0
   66    33   -37    42   0.30600  1.0 3.0
   66    33    37    44  -2.10200  1.0 1.0
   66    33    37    44  -0.31600 -1.0 2.0
   66    33    37    44   0.13050  1.0 3.0
   66    33    39    40   0.22950  1.0 3.0
   66    33    39    41   0.22950  1.0 3.0
   66    33    39    46   2.03850  1.0 1.0
   66    33    39    46  -0.40600 -1.0 2.0
   66    55    68    69  -0.18050  1.0 3.0
   66    55    68    70  -0.18050  1.0 3.0
   66    55    68    71  -0.18050  1.0 3.0
   68    55    66    33   1.00000 -1.0 2.0
   68    55    66    67   2.40850 -1.0 2.0
   56    48    55    66   7.00000 -1.0 2.0
   56    48    55    68   7.00000 -1.0 2.0
   56    72    82    83   0.08050  1.0 3.0
   56    72    82    84   0.08050  1.0 3.0
   56    72    82    85   0.08050  1.0 3.0
   57    56    72    82   3.00000 -1.0 2.0
   44    37    42    43  -0.11250  1.0 3.0
   44    37    42    47   0.56750  1.0 1.0
   44    37    42    47  -0.07550 -1.0 2.0
   44    37    42    47   0.20000  1.0 3.0
   44    37    42    48  -0.98800  1.0 1.0
   44    37    42    48   0.48800 -1.0 2.0
   44    37    42    48   0.76800  1.0 3.0
   44    49    58    59   0.08050  1.0 3.0
   44    49    58    60   0.08050  1.0 3.0
   44    49    58    73  -0.25900  1.0 1.0
   44    49    58    73  -0.47000 -1.0 2.0
   44    49    58    73   0.11750  1.0 3.0
   45    44    49    58   3.00000 -1.0 2.0
   49    58    73    74   0.23400  1.0 3.0
   49    58    73    75   0.23400  1.0 3.0
   49    58    73    76   0.23400  1.0 3.0
   59    58    73    74   0.15000  1.0 3.0
   59    58    73    75   0.15000  1.0 3.0
   59    58    73    76   0.15000  1.0 3.0
   60    58    73    74   0.15000  1.0 3.0
   60    58    73    75   0.15000  1.0 3.0
   60    58    73    76   0.15000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    42   0.56750  1.0 1.0
   39    33    37    42  -0.07550 -1.0 2.0
   39    33    37    42   0.20000  1.0 3.0
   39    33    37    44  -0.95700  1.0 1.0
   39    33    37    44  -0.18200 -1.0 2.0
   39    33    37    44   0.29450  1.0 3.0
   39    33    66    55   0.25450  1.0 1.0
   39    33    66    55  -0.61700 -1.0 2.0
   39    33    66    55  -0.23550  1.0 3.0
   39    33    66    67   0.00000  1.0 1.0
   39    46    50    51   0.37050  1.0 3.0
   39    46    50    52   0.37050  1.0 3.0
   39    46    50    61   0.06250  1.0 1.0
   39    46    50    61  -0.01100 -1.0 2.0
   39    46    50    61   0.28050  1.0 3.0
   40    39    46    50   0.37050  1.0 3.0
   41    39    46    50   0.37050  1.0 3.0
   46    50    61    62   0.23400  1.0 3.0
   46    50    61    63   0.23400  1.0 3.0
   46    50    61    77   3.18800  1.0 1.0
   46    50    61    77  -1.12350 -1.0 2.0
   50    61    77    78   0.21650  1.0 1.0
   50    61    77    78   0.26250 -1.0 2.0
   50    61    77    78   0.12450  1.0 3.0
   50    61    77    79   0.21650  1.0 1.0
   50    61    77    79   0.26250 -1.0 2.0
   50    61    77    79   0.12450  1.0 3.0
   51    50    61    62   0.15000  1.0 3.0
   51    50    61    63   0.15000  1.0 3.0
   51    50    61    77   0.15000  1.0 3.0
   52    50    61    62   0.15000  1.0 3.0
   52    50    61    63   0.15000  1.0 3.0
   52    50    61    77   0.15000  1.0 3.0
   62    61    77    78   0.20000  1.0 3.0
   62    61    77    79   0.20000  1.0 3.0
   63    61    77    78   0.20000  1.0 3.0
   63    61    77    79   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
   53    88    47    42   4.00000 -1.0 2.0
   64    54    53    47   1.10000 -1.0 2.0
   80    65    64    53   1.10000 -1.0 2.0
   86    81    80    64   1.10000 -1.0 2.0
   88    87    86    80   1.10000 -1.0 2.0
   86    89    88    47   4.00000 -1.0 2.0
   42    56    48    55   1.10000 -1.0 2.0
   68    66    55    48   1.10000 -1.0 2.0
   67    55    66    33   1.00000 -1.0 2.0
   48    72    56    57  10.50000 -1.0 2.0
   37    49    44    45  10.50000 -1.0 2.0
END
