* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    145    225     420
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02104    67.44411  -100.27545
    3     1 S   H    _H1_     3     1.02047   104.81735     4.14647
    4     1 S   H    _H2_     4     1.02061    45.36596   105.96413
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CM   _C19    36     1.73989    99.27895   161.82945
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   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   _C18    37     1.34660   119.10331   -89.99632
   38    37 S   HC   _H21    38     1.08802   120.30825    -0.39664
   39    37 S   CT   _C8_    39     1.52069   122.30267  -178.40775
   40    39 S   CT   _C9_    40     1.53384   112.86825  -156.68161
   41    40 S   HC   _H7_    41     1.09240   115.74735   150.08203
   42    40 S   HC   _H8_    42     1.09729   113.43602    23.34931
   43    39 S   CT   _C7_    70     1.57567   113.12465   -25.61491
   44    43 S   OM   _O36    71     1.32690   109.73267   -81.02482
   45    43 S   HC   _H3_    72     1.10323   105.37807   149.43819
   46    40 S   CD   _C10    43     1.47482    98.47444   -90.17102
   47    43 S   CM   _C6_    73     1.53062   110.47368    35.54663
   48    47 S   Br   Br1_    74     1.88383   114.95870   153.59109
   49    46 S   NI   _N4_    44     1.28657   116.87178   -16.37083
   50    46 S   C    _C11    46     1.47692   121.06236   165.64730
   51    50 S   O    _O35    47     1.22420   120.56282   119.87758
   52    33 S   CM   _C5_    75     1.46034   121.01012    91.80336
   53    39 S   OS   _O34    45     1.46172   106.00371    91.37557
   54    50 S   N    _N5_    48     1.38008   112.52222   -59.98672
   55    54 S   H    _H9_    49     1.01552   118.66021    -0.15066
   56    52 S   OS   _O33    76     1.38299   117.89356    11.70504
   57    54 S   CT   _C12    50     1.44501   122.70007   179.90513
   58    57 S   HC   _H10    51     1.09534   106.82655    30.58858
   59    57 S   HC   _H11    52     1.09357   107.96015   146.28424
   60    56 S   CT   _C4_    77     1.40654   112.59633    90.02479
   61    60 S   HC   _H4_    78     1.09334   109.53408  -179.97202
   62    60 S   HC   _H5_    79     1.09221   109.58520    59.17374
   63    60 S   HC   _H6_    80     1.09289   108.94387   -60.45945
   64    57 S   CT   _C13    53     1.52741   112.62757   -90.01124
   65    64 S   HC   _H12    54     1.09805   108.88300    60.01601
   66    64 S   HC   _H13    55     1.09650   108.67947   175.76723
   67    64 S   CT   _C14    56     1.53463   114.48327   -61.05868
   68    67 S   HC   _H14    57     1.09692   110.13269    65.78056
   69    67 S   HC   _H15    58     1.09713   108.89358  -179.07656
   70    67 S   C5X  _C15    59     1.50782   113.83350   -58.46527
   71    70 S   C5X  _C16    60     1.36664   131.41924   -89.95801
   72    71 S   HA   _H16    61     1.07189   135.70238    -0.09691
   73    71 S   N5P  _N6_    62     1.37371   106.75796   179.93147
   74    73 S   H    _H17    63     1.01693   125.30892  -179.97202
   75    73 S   CRP  _C17    64     1.33625   109.47661     0.02798
   76    70 S   N5P  _N7_    65     1.37425   121.92170    89.99257
   77    76 S   H    _H18    66     1.01731   125.38006     0.10087
   78    75 S   NE   _N8_    67     1.35834   126.21266   179.98022
   79    78 S   H    _H19    68     1.02658   121.76951    -3.07078
   80    78 S   H    _H20    69     1.02717   121.70114  -176.84756
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   7   5   4   3
  11   2   1   1  14   5  13  12   6   5   9   5   4   7   5   2
   4   8   3   5   1   8   4   4   9   5   4   3   2   1   1   8
   5   4   9   4   3   8   7   4   7   3   5   4   1   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    52    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    47    52    56  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    53    43    47    48    52    56    60  
   35    36  
   36  
    0  
   38    39    40    41    42    46    49    53    43    44    45    47    52    56  
   39    40    53    43    52  
   40    41    42    46    49    53    50    43    44    45    47    48    52  
   41    42    46    49    53    50    51    54    43    44    45    47  
   42    46    49    53    50    43  
   46    49    53    50    43  
   44    45    47    48    52    56    46    49    53  
   45    47    48    52    53  
   47    48    52    53  
   49    53    50    51    54    55    57  
   48    52    56    60    53  
   52    56  
   53    50    51    54  
   51    54    55    57    58    59    64    53  
   54    55    57  
   56    60    61    62    63  
    0  
   55    57    58    59    64    65    66    67  
   57    58    59    64  
   60    61    62    63  
   58    59    64    65    66    67    68    69    70  
   59    64    65    66    67  
   64    65    66    67  
   61    62    63  
   62    63  
   63  
    0  
   65    66    67    68    69    70    71    76  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70    71    72    73    75    76    77  
   69    70    71    76  
   70    71    76  
   71    72    73    74    75    76    77    78  
   72    73    74    75    76    77    78  
   73    74    75    76  
   74    75    76    77    78    79    80  
   75    76    78  
   76    77    78    79    80  
   77    78    79    80  
   78  
   79    80  
   80  
    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  -0.175000   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   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660  -0.083900   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   45   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.353600   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5500   0.0760   0.179500   2.0020   1.7750   0.023028004  -0.852763146
   48   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   49   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   50   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   52   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   54   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   55   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   56   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   57   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.005000   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   3.5500   0.0700  -0.031100   2.0020   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700   0.055400   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.182200   1.3810   1.2100   0.030040813   0.268726247
   73   3.2500   0.1700  -0.232400   1.9750   1.7500   0.001000000  -0.511443539
   74   0.0000   0.0000   0.379700   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0700   0.537800   2.0020   1.7750   0.001000000  -0.843144165
   76   3.2500   0.1700  -0.186300   1.8650   1.6500   0.001000000  -0.511443539
   77   0.0000   0.0000   0.379700   0.9960   0.8600   0.030040813  -0.651083722
   78   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   79   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   80   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
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   240.000  1.763
   33    37   549.000  1.340
   33    52   380.000  1.444
   37    38   340.000  1.080
   37    39   317.000  1.510
   39    40   268.000  1.529
   39    53   320.000  1.410
   39    43   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    46   270.000  1.508
   46    49   500.000  1.261
   46    50   270.000  1.486
   49    53   320.000  1.394
   50    51   570.000  1.229
   50    54   490.000  1.335
   54    55   434.000  1.010
   54    57   337.000  1.449
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   295.000  1.488
   70    71   520.000  1.370
   70    76   455.000  1.369
   71    72   367.000  1.080
   71    73   455.000  1.369
   73    74   505.000  1.012
   73    75   520.000  1.338
   75    76   520.000  1.338
   75    78   510.000  1.332
   76    77   505.000  1.012
   78    79   434.000  1.010
   78    80   434.000  1.010
   43    44   570.000  1.307
   43    45   340.000  1.090
   43    47   317.000  1.510
   47    48   165.000  1.979
   47    52   549.000  1.340
   52    56   440.000  1.360
   56    60   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   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    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    65.00000  122.11800
   29    33    52    65.00000  122.11800
   33    37    38    35.00000  120.00000
   33    37    39    70.00000  124.00000
   33    52    47    70.00000  123.01800
   33    52    56    80.00000  120.01400
   37    39    40    70.00000  112.02700
   37    39    53    85.00000  110.90400
   37    39    43    70.00000  112.02700
   39    37    38    35.00000  117.00000
   39    40    41    37.50000  110.70000
   39    40    42    37.50000  110.70000
   39    40    46    70.00000  111.76100
   39    53    49   110.00000  106.71400
   39    43    44    50.00000  109.50000
   39    43    45    37.50000  110.70000
   39    43    47    70.00000  112.02700
   40    46    49    65.00000  122.10100
   40    46    50    60.00000  116.68000
   42    40    41    33.00000  107.80000
   46    40    41    45.00000  109.49600
   46    40    42    45.00000  109.49600
   46    49    53   100.00000  109.52600
   46    50    51    80.00000  120.45000
   46    50    54    75.00000  109.57000
   53    39    40    50.00000  109.50000
   50    46    49    65.00000  123.79500
   50    54    55    35.00000  119.80000
   50    54    57    50.00000  121.90000
   54    50    51    80.00000  122.90000
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    64    70.00000  110.72300
   57    54    55    38.00000  118.40000
   57    64    65    37.50000  110.70000
   57    64    66    37.50000  110.70000
   57    64    67    58.35000  112.70000
   59    57    58    33.00000  107.80000
   64    57    58    37.50000  110.70000
   64    57    59    37.50000  110.70000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    70.00000  111.35000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    55.00000  134.05000
   67    70    76    65.00000  124.50300
   69    67    68    33.00000  107.80000
   70    67    68    45.00000  109.40800
   70    67    69    45.00000  109.40800
   70    71    72    35.00000  130.70000
   70    71    73    90.00000  106.19800
   70    76    75    85.00000  110.35700
   70    76    77    40.00000  124.45100
   71    73    74    40.00000  124.45100
   71    73    75    85.00000  110.35700
   73    71    72    40.00000  122.05800
   73    75    76   100.00000  107.19100
   73    75    78    70.00000  121.58000
   75    73    74    45.00000  124.15700
   75    76    77    45.00000  124.15700
   75    78    79    50.00000  117.92000
   75    78    80    50.00000  117.92000
   76    70    71    90.00000  106.19800
   78    75    76    70.00000  121.58000
   80    78    79    35.00000  109.00000
   43    39    40    58.35000  112.70000
   43    39    53    50.00000  109.50000
   43    47    48    70.00000  111.14000
   43    47    52    70.00000  124.00000
   45    43    44    45.00000  125.66300
   47    43    44    85.00000  110.90400
   47    43    45    35.00000  109.50000
   47    52    56    80.00000  120.01400
   52    33    37    70.00000  123.01800
   52    47    48    65.00000  115.01300
   52    56    60    90.00000  111.18400
   56    60    61    35.00000  109.50000
   56    60    62    35.00000  109.50000
   56    60    63    35.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    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   0.00000  1.0 1.0
   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   1.00000 -1.0 2.0
   24    29    33    52   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   7.00000 -1.0 2.0
   29    33    37    39   7.00000 -1.0 2.0
   29    33    52    47  -0.18600  1.0 3.0
   29    33    52    56   1.08500 -1.0 2.0
   33    37    39    40   0.09850  1.0 1.0
   33    37    39    40   0.15250 -1.0 2.0
   33    37    39    40  -0.50650  1.0 3.0
   33    37    39    53   0.39000  1.0 1.0
   33    37    39    53  -0.05800 -1.0 2.0
   33    37    39    53  -0.55150  1.0 3.0
   33    37    39    43   0.09850  1.0 1.0
   33    37    39    43   0.15250 -1.0 2.0
   33    37    39    43  -0.50650  1.0 3.0
   33    52    56    60  -2.26850  1.0 1.0
   33    52    56    60   3.39050 -1.0 2.0
   37    33    52    47   0.28850  1.0 1.0
   37    33    52    47   2.61350 -1.0 2.0
   37    33    52    47   0.78400  1.0 3.0
   37    33    52    56  -0.51250  1.0 1.0
   37    33    52    56   1.23350 -1.0 2.0
   37    39    40    41   0.15000  1.0 3.0
   37    39    40    42   0.15000  1.0 3.0
   37    39    40    46   0.31000  1.0 1.0
   37    39    40    46   0.14700 -1.0 2.0
   37    39    40    46   0.07550  1.0 3.0
   37    39    53    49   0.37500  1.0 3.0
   37    39    43    44   0.61850  1.0 1.0
   37    39    43    44  -0.22750 -1.0 2.0
   37    39    43    44   0.15300  1.0 3.0
   37    39    43    45   0.15000  1.0 3.0
   37    39   -43    47   0.31000  1.0 1.0
   37    39   -43    47   0.14700 -1.0 2.0
   37    39   -43    47   0.07550  1.0 3.0
   38    37    39    40   0.00000  1.0 1.0
   38    37    39    53   0.00000  1.0 1.0
   38    37    39    43   0.00000  1.0 1.0
   39    40   -46    49   0.00000  1.0 1.0
   39    40    46    50   0.00000  1.0 1.0
   39    43    47    48   0.09700  1.0 1.0
   39    43    47    48   0.15600 -1.0 2.0
   39    43    47    48  -0.50800  1.0 3.0
   39    43    47    52   0.09850  1.0 1.0
   39    43    47    52   0.15250 -1.0 2.0
   39    43    47    52  -0.50650  1.0 3.0
   40    39   -53    49   0.37500  1.0 3.0
   40    39    43    44   0.62750  1.0 1.0
   40    39    43    44  -0.30950 -1.0 2.0
   40    39    43    44   0.27300  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    47   0.34400  1.0 1.0
   40    39    43    47   0.09450 -1.0 2.0
   40    39    43    47   0.11100  1.0 3.0
   40    46   -49    53   6.00000 -1.0 2.0
   40    46    50    51   1.00000 -1.0 2.0
   40    46    50    54   1.50000 -1.0 2.0
   41    40    46    49   0.00000  1.0 1.0
   41    40    46    50   0.00000  1.0 1.0
   42    40    46    49   0.00000  1.0 1.0
   42    40    46    50   0.00000  1.0 1.0
   46    49   -53    39   1.50000 -1.0 2.0
   46    50    54    55   2.56700 -1.0 2.0
   46    50    54    57   1.49850  1.0 1.0
   46    50    54    57   1.53950 -1.0 2.0
   49    46    50    51   1.00000 -1.0 2.0
   49    46    50    54   1.50000 -1.0 2.0
   53    39    40    41   0.23400  1.0 3.0
   53    39    40    42   0.23400  1.0 3.0
   53    39   -40    46   0.61850  1.0 1.0
   53    39   -40    46  -0.22750 -1.0 2.0
   53    39   -40    46   0.15300  1.0 3.0
   53    39    43    44   1.11900  1.0 1.0
   53    39    43    44  -1.16350 -1.0 2.0
   53    39    43    44  -0.34150  1.0 3.0
   53    39    43    45   0.23400  1.0 3.0
   53    39    43    47   0.61850  1.0 1.0
   53    39    43    47  -0.22750 -1.0 2.0
   53    39    43    47   0.15300  1.0 3.0
   50    46    49    53   6.00000 -1.0 2.0
   50    54    57    58   0.00000  1.0 1.0
   50    54    57    59   0.00000  1.0 1.0
   50    54    57    64  -0.43950  1.0 1.0
   50    54    57    64  -0.08100 -1.0 2.0
   50    54    57    64   0.03350  1.0 3.0
   51    50    54    55   2.45000 -1.0 2.0
   51    50    54    57   3.04450 -1.0 2.0
   54    57    64    65   0.15000  1.0 3.0
   54    57    64    66   0.15000  1.0 3.0
   54    57    64    67   0.43900  1.0 1.0
   54    57    64    67   0.49100 -1.0 2.0
   54    57    64    67   0.28400  1.0 3.0
   55    54    57    58   0.00000  1.0 1.0
   55    54    57    59   0.00000  1.0 1.0
   55    54    57    64   0.00000  1.0 1.0
   57    64    67    68   0.15000  1.0 3.0
   57    64    67    69   0.15000  1.0 3.0
   57    64    67    70  -0.03700  1.0 1.0
   57    64    67    70   0.37200 -1.0 2.0
   57    64    67    70  -0.47300  1.0 3.0
   58    57    64    65   0.15000  1.0 3.0
   58    57    64    66   0.15000  1.0 3.0
   58    57    64    67   0.15000  1.0 3.0
   59    57    64    65   0.15000  1.0 3.0
   59    57    64    66   0.15000  1.0 3.0
   59    57    64    67   0.15000  1.0 3.0
   64    67    70    71   0.04150 -1.0 2.0
   64    67    70    76   0.39850  1.0 1.0
   64    67    70    76   0.06450 -1.0 2.0
   64    67    70    76   0.32400  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.43200  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    70   0.43200  1.0 3.0
   67    70    71    72   3.50000 -1.0 2.0
   67    70    71    73   3.50000 -1.0 2.0
   67    70    76    75   3.62500 -1.0 2.0
   67    70    76    77   2.00000 -1.0 2.0
   68    67    70    71   0.00000  1.0 1.0
   68    67    70    76   0.00000  1.0 1.0
   69    67    70    71   0.00000  1.0 1.0
   69    67    70    76   0.00000  1.0 1.0
   70    71    73    74   1.40000 -1.0 2.0
   70    71   -73    75   3.62500 -1.0 2.0
   71    70   -76    75   3.62500 -1.0 2.0
   71    70    76    77   1.40000 -1.0 2.0
   71    73   -75    76   3.62500 -1.0 2.0
   71    73    75    78   3.62500 -1.0 2.0
   72    71    73    74   1.60000 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75   -76    70   3.62500 -1.0 2.0
   73    75    76    77   2.00000 -1.0 2.0
   73    75    78    79   1.75000 -1.0 2.0
   73    75    78    80   1.75000 -1.0 2.0
   74    73    75    76   2.00000 -1.0 2.0
   74    73    75    78   2.00000 -1.0 2.0
   76    70    71    72   5.37500 -1.0 2.0
   76    70   -71    73   5.37500 -1.0 2.0
   76    75    78    79   1.75000 -1.0 2.0
   76    75    78    80   1.75000 -1.0 2.0
   78    75    76    70   3.62500 -1.0 2.0
   78    75    76    77   2.00000 -1.0 2.0
   43    39    40    41   0.15000  1.0 3.0
   43    39    40    42   0.15000  1.0 3.0
   43    39    40    46   0.34400  1.0 1.0
   43    39    40    46   0.09450 -1.0 2.0
   43    39    40    46   0.11100  1.0 3.0
   43    39    53    49   0.37500  1.0 3.0
   43    47   -52    33   7.00000 -1.0 2.0
   43    47    52    56   7.00000 -1.0 2.0
   44    43    47    48   0.09700  1.0 1.0
   44    43    47    48   0.15600 -1.0 2.0
   44    43    47    48  -0.50800  1.0 3.0
   44    43    47    52   0.39000  1.0 1.0
   44    43    47    52  -0.05800 -1.0 2.0
   44    43    47    52  -0.55150  1.0 3.0
   45    43    47    48   0.00000  1.0 1.0
   45    43    47    52   0.00000  1.0 1.0
   47    52    56    60  -2.26850  1.0 1.0
   47    52    56    60   3.39050 -1.0 2.0
   48    47    52    33   7.00000 -1.0 2.0
   48    47    52    56   7.00000 -1.0 2.0
   52    33    37    38   7.00000 -1.0 2.0
   52    33   -37    39   7.00000 -1.0 2.0
   52    56    60    61   0.08050  1.0 3.0
   52    56    60    62   0.08050  1.0 3.0
   52    56    60    63   0.08050  1.0 3.0
IPHI
    8     5     7     9  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
   35    30    34    36  10.50000 -1.0 2.0
   29    52    33    37   1.10000 -1.0 2.0
   39    38    37    33   1.10000 -1.0 2.0
   40    50    46    49  10.50000 -1.0 2.0
   46    54    50    51  10.50000 -1.0 2.0
   55    50    54    57   1.00000 -1.0 2.0
   71    76    70    67   4.00000 -1.0 2.0
   73    72    71    70   1.10000 -1.0 2.0
   74    71    73    75   1.00000 -1.0 2.0
   76    78    75    73   4.00000 -1.0 2.0
   77    70    76    75   1.00000 -1.0 2.0
   80    75    78    79   1.00000 -1.0 2.0
   43    48    47    52   1.10000 -1.0 2.0
   33    56    52    47   1.10000 -1.0 2.0
END
