* LIGAND DATABASE FILE (OPLS2005)
*
001      80    84    157    255     465
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02066    57.29532    85.43798
    3     1 S   H    _H1_     3     1.02170    54.84785  -117.90588
    4     1 S   H    _H2_     4     1.02072   106.64395   -16.46642
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08611   110.43906    58.92669
   26    24 S   HC   HB22    34     1.08669   109.83319   178.96297
   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   _C22    36     1.84830   101.21518   179.97202
   34    33 S   OM   _O21    37     1.32055   110.40507   174.94270
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C20    38     1.54605   107.52206    59.97088
   39    38 S   HC   _H40    39     1.09590   111.59126   -61.98618
   40    38 S   HC   _H41    40     1.09834   113.28269   175.28740
   41    38 S   HC   _H42    41     1.10029   111.13524    54.36314
   42    33 S   OS   _O24    42     1.45335   113.58675   -55.99706
   43    42 S   CA   _C9_    43     1.35582   124.74406   -32.67104
   44    43 S   CA   _C5_    44     1.40052   120.74056   -60.03502
   45    44 S   HA   _H27    45     1.08726   119.88784     0.98655
   46    44 S   CA   _C4_    46     1.41024   121.03799  -176.75985
   47    46 S   HA   _H26    47     1.08645   119.33639   176.33393
   48    46 S   CA   _C6_    48     1.39565   120.23062    -1.88627
   49    48 S   CR3  _C7_    49     1.38281   117.14110    -1.76436
   50    48 S   CT   _C12    64     1.50527   123.71361   172.66738
   51    50 S   HC   _H30    65     1.09896   106.92993   -60.89482
   52    50 S   HC   _H31    66     1.09488   109.62484    53.89643
   53    43 S   CA   _C8_    50     1.37697   121.56983   121.78444
   54    53 S   OS   _O22    51     1.36877   126.59577     4.23184
   55    54 S   CT   _C18    52     1.47044   104.54262   164.26385
   56    55 S   HC   _H39    53     1.09766   105.59230   142.76253
   57    55 S   CT   _C16    54     1.55232   110.78987  -101.17007
   58    57 S   HC   _H37    55     1.09776   108.16075  -135.24468
   59    57 S   CM   _C11    56     1.50322   115.93101   106.03023
   60    59 S   HC   _H29    57     1.08679   118.31776  -157.25674
   61    57 S   OH   _O23    79     1.42446   110.80850   -18.86426
   62    61 S   HO   _H46    80     0.97064   106.53999  -171.25684
   63    59 S   CM   _C10    58     1.34193   122.69754    27.40475
   64    63 S   HC   _H28    59     1.08573   119.57657   175.48421
   65    63 S   CT   _C15    60     1.50700   121.32359    -1.74046
   66    65 S   HC   _H36    61     1.10110   105.70430    86.79240
   67    65 S   CT   _C17    62     1.56260   114.64866  -154.15965
   68    67 S   HC   _H38    63     1.09844   107.74936   -54.78555
   69    67 S   NT   _N20    67     1.48244   106.81474  -169.48146
   70    69 S   CT   _C14    68     1.46713   113.97222   -62.44950
   71    70 S   HC   _H34    69     1.09725   110.93309   -71.04290
   72    70 S   HC   _H35    70     1.09763   109.51327   172.06620
   73    69 S   CT   _C21    75     1.45852   113.46548   168.58893
   74    73 S   HC   _H43    76     1.09266   110.10041   -49.78415
   75    73 S   HC   _H44    77     1.09389   110.25309  -169.79321
   76    73 S   HC   _H45    78     1.09322   110.22092    70.24659
   77    70 S   CT   _C13    71     1.53706   112.39525    52.36558
   78    77 S   HC   _H32    72     1.09937   108.61488    74.34782
   79    77 S   HC   _H33    73     1.09719   108.82196  -170.08511
   80    49 S   CT   _C19    74     1.49284   126.38327  -179.38198
  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   8   5   4   3
   9   6   2   1   1   5   3   2   1   7  10   8   4   9   3  13
  17  12   5   4   7   9  16   7  10   6   9   4   3   1   8   4
  10   5  11   4  11  10   6   5   4   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    53  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43  
   40    41    42  
   41    42  
   42  
   43    44    45    46    49    53    54  
   44    45    46    47    48    49    53    54    55    80  
   45    46    47    48    49    53    54    50  
   46    47    48    53  
   47    48    49    53    67    50    51    52    80  
   48    49    50  
   49    53    54    55    65    67    68    50    51    52    69    77    80  
   53    54    55    56    57    63    65    66    67    50    51    52    70    77    78    79    80  
   51    52    69    70    80    73    53    63    65    66    67    68  
   52    69    65    67    68  
   69    65    67    68  
   54    55    56    57    65    77    80  
   55    56    57    58    59    65    77    80    61  
   56    57    58    59    60    63    65    66    67    70    77    78    79    80    61    62  
   57    58    59    65    77    80    61  
   58    59    60    63    64    65    77    80    61    62  
   59    60    63    80    61    62  
   60    63    64    65    66    67    80    61    62  
   63    64    65    61  
   62    63    80  
    0  
   64    65    66    67    68    69    77    80  
   65    66    67    80  
   66    67    68    69    70    77    78    79    80    73  
   67    68    69    77    80  
   68    69    70    71    72    77    80    73    74    75    76  
   69    70    80    73  
   70    71    72    77    78    79    80    73    74    75    76  
   71    72    77    78    79    80    73    74    75    76  
   72    77    78    79    80    73  
   77    78    79    80    73  
   74    75    76    77  
   75    76  
   76  
    0  
   78    79    80  
   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  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   70   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   268.000  1.529
   33    42   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   450.000  1.364
   43    44   469.000  1.400
   43    53   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   490.000  1.398
   48    50   317.000  1.510
   49    53   490.000  1.398
   49    80   317.000  1.510
   53    54   450.000  1.364
   54    55   320.000  1.410
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    80   268.000  1.529
   57    58   340.000  1.090
   57    59   317.000  1.510
   57    61   320.000  1.410
   59    60   340.000  1.080
   59    63   549.000  1.340
   63    64   340.000  1.080
   63    65   317.000  1.510
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    80   268.000  1.529
   67    68   340.000  1.090
   67    50   268.000  1.529
   67    69   382.000  1.448
   50    51   340.000  1.090
   50    52   340.000  1.090
   69    70   382.000  1.448
   69    73   382.000  1.448
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   61    62   553.000  0.945
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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    75.00000  111.00000
   38    33    34    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34   110.00000  112.65000
   42    33    38    50.00000  109.50000
   42    43    44    70.00000  120.00000
   42    43    53    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    46    63.00000  120.00000
   43    53    49    70.00000  112.88000
   43    53    54    70.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    48    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    48    49    70.00000  112.88000
   46    48    50    70.00000  120.00000
   48    46    47    35.00000  120.00000
   48    49    53    60.00000  130.80000
   48    49    80    70.00000  120.00000
   48    50    67    70.00000  112.17500
   48    50    51    35.00000  109.50000
   48    50    52    35.00000  109.50000
   49    53    54    70.00000  120.00000
   49    80    55    70.00000  112.17500
   49    80    65    70.00000  112.17500
   49    80    77    70.00000  112.17500
   53    43    44    63.00000  120.00000
   53    54    55    75.00000  111.00000
   54    55    56    35.00000  109.50000
   54    55    57    50.00000  109.50000
   54    55    80    50.00000  109.50000
   55    57    58    37.50000  110.70000
   55    57    59    70.00000  112.02700
   55    57    61    50.00000  109.50000
   55    80    65    58.35000  112.70000
   55    80    77    58.35000  112.70000
   57    55    56    37.50000  110.70000
   57    59    60    35.00000  117.00000
   57    59    63    70.00000  124.00000
   57    61    62    55.00000  108.50000
   59    57    58    35.00000  109.50000
   59    63    64    35.00000  120.00000
   59    63    65    70.00000  124.00000
   63    59    60    35.00000  120.00000
   63    65    66    35.00000  109.50000
   63    65    67    70.00000  112.02700
   63    65    80    70.00000  112.02700
   65    63    64    35.00000  117.00000
   65    67    68    37.50000  110.70000
   65    67    50    58.35000  112.70000
   65    67    69    56.20000  109.47000
   65    80    77    58.35000  112.70000
   67    65    66    37.50000  110.70000
   67    50    51    37.50000  110.70000
   67    50    52    37.50000  110.70000
   67    69    70    51.80000  107.20000
   67    69    73    51.80000  107.20000
   50    48    49    80.00000  105.07000
   50    67    68    37.50000  110.70000
   52    50    51    33.00000  107.80000
   69    67    68    35.00000  109.50000
   69    67    50    56.20000  109.47000
   69    70    71    35.00000  109.50000
   69    70    72    35.00000  109.50000
   69    70    77    56.20000  109.47000
   69    73    74    35.00000  109.50000
   69    73    75    35.00000  109.50000
   69    73    76    35.00000  109.50000
   70    77    78    37.50000  110.70000
   70    77    79    37.50000  110.70000
   70    77    80    58.35000  112.70000
   72    70    71    33.00000  107.80000
   77    70    71    37.50000  110.70000
   77    70    72    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    49    53    70.00000  120.00000
   80    55    56    37.50000  110.70000
   80    55    57    58.35000  112.70000
   80    65    66    37.50000  110.70000
   80    65    67    58.35000  112.70000
   80    77    78    37.50000  110.70000
   80    77    79    37.50000  110.70000
   73    69    70    51.80000  107.20000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   61    57    58    35.00000  109.50000
   61    57    59    90.00000  110.39200
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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
   24    29    33    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.14700  1.0 1.0
   29    33    42    43  -1.16150 -1.0 2.0
   29    33    42    43   0.48700  1.0 3.0
   33    42    43    44   1.63200 -1.0 2.0
   33    42    43    53   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    42    43  -0.25600  1.0 1.0
   34    33    42    43  -0.40050 -1.0 2.0
   34    33    42    43   0.34700  1.0 3.0
   38    33    42    43  -0.32850  1.0 1.0
   38    33    42    43  -0.35800 -1.0 2.0
   38    33    42    43   0.33950  1.0 3.0
   42    33    38    39   0.23400  1.0 3.0
   42    33    38    40   0.23400  1.0 3.0
   42    33    38    41   0.23400  1.0 3.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    46   3.62500 -1.0 2.0
   42    43    53    49   3.62500 -1.0 2.0
   42    43    53    54   3.62500 -1.0 2.0
   43    44    46    47   3.62500 -1.0 2.0
   43    44    46    48   3.62500 -1.0 2.0
   43    53    54    55   1.63200 -1.0 2.0
   44    43    53    49   3.62500 -1.0 2.0
   44    43    53    54   3.62500 -1.0 2.0
   44    46   -48    49   3.62500 -1.0 2.0
   44    46    48    50   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48    49    53   3.62500 -1.0 2.0
   46    48    49    80   3.62500 -1.0 2.0
   46    48    50    67   0.04150 -1.0 2.0
   46    48    50    51   0.00000  1.0 1.0
   46    48    50    52   0.00000  1.0 1.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    50   3.62500 -1.0 2.0
   48    49   -53    43   3.62500 -1.0 2.0
   48    49    53    54   3.62500 -1.0 2.0
   48    49    80    55   0.04150 -1.0 2.0
   48    49    80    65   0.04150 -1.0 2.0
   48    49    80    77   0.04150 -1.0 2.0
   49    48    50    67   0.04150 -1.0 2.0
   49    48    50    51   0.00000  1.0 1.0
   49    48    50    52   0.00000  1.0 1.0
   49    53   -54    55   1.63200 -1.0 2.0
   53    43    44    45   3.62500 -1.0 2.0
   53    43   -44    46   3.62500 -1.0 2.0
   53    49   -80    55   0.04150 -1.0 2.0
   53    49    80    65   0.04150 -1.0 2.0
   53    49    80    77   0.04150 -1.0 2.0
   53    54    55    56   0.08050  1.0 3.0
   53    54    55    57  -0.32850  1.0 1.0
   53    54    55    57  -0.35800 -1.0 2.0
   53    54    55    57   0.33950  1.0 3.0
   53    54   -55    80  -0.32850  1.0 1.0
   53    54   -55    80  -0.35800 -1.0 2.0
   53    54   -55    80   0.33950  1.0 3.0
   54    55    57    58   0.23400  1.0 3.0
   54    55    57    59   0.61850  1.0 1.0
   54    55    57    59  -0.22750 -1.0 2.0
   54    55    57    59   0.15300  1.0 3.0
   54    55    57    61   3.69350  1.0 1.0
   54    55    57    61  -1.82950 -1.0 2.0
   54    55   -80    49  -0.64350  1.0 1.0
   54    55   -80    49  -0.04200 -1.0 2.0
   54    55   -80    49   0.19800  1.0 3.0
   54    55    80    65   0.62750  1.0 1.0
   54    55    80    65  -0.30950 -1.0 2.0
   54    55    80    65   0.27300  1.0 3.0
   54    55    80    77   0.62750  1.0 1.0
   54    55    80    77  -0.30950 -1.0 2.0
   54    55    80    77   0.27300  1.0 3.0
   55    57    59    60   0.00000  1.0 1.0
   55    57    59    63   0.09850  1.0 1.0
   55    57    59    63   0.15250 -1.0 2.0
   55    57    59    63  -0.50650  1.0 3.0
   55    57    61    62  -0.11600  1.0 1.0
   55    57    61    62  -0.09450 -1.0 2.0
   55    57    61    62   0.21250  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55    57    61   0.23400  1.0 3.0
   56    55    80    49   0.43200  1.0 3.0
   56    55    80    65   0.15000  1.0 3.0
   56    55    80    77   0.15000  1.0 3.0
   57    55    80    49  -0.03700  1.0 1.0
   57    55    80    49   0.37200 -1.0 2.0
   57    55    80    49  -0.47300  1.0 3.0
   57    55    80    65   0.56750  1.0 1.0
   57    55    80    65  -0.07550 -1.0 2.0
   57    55    80    65   0.20000  1.0 3.0
   57    55    80    77   0.56750  1.0 1.0
   57    55    80    77  -0.07550 -1.0 2.0
   57    55    80    77   0.20000  1.0 3.0
   57    59    63    64   7.00000 -1.0 2.0
   57    59   -63    65   7.00000 -1.0 2.0
   58    57    59    60   0.33100  1.0 3.0
   58    57    59    63   0.00000  1.0 1.0
   58    57    61    62   0.19450  1.0 3.0
   59    57    61    62  -0.07800  1.0 1.0
   59    57    61    62  -0.21500 -1.0 2.0
   59    57    61    62  -0.03150  1.0 3.0
   59    63    65    66   0.00000  1.0 1.0
   59    63    65    67   0.09850  1.0 1.0
   59    63    65    67   0.15250 -1.0 2.0
   59    63    65    67  -0.50650  1.0 3.0
   59    63    65    80   0.09850  1.0 1.0
   59    63    65    80   0.15250 -1.0 2.0
   59    63    65    80  -0.50650  1.0 3.0
   60    59    63    64   7.00000 -1.0 2.0
   60    59    63    65   7.00000 -1.0 2.0
   63    65    67    68   0.15000  1.0 3.0
   63    65    67    50   0.34400  1.0 1.0
   63    65    67    50   0.09450 -1.0 2.0
   63    65    67    50   0.11100  1.0 3.0
   63    65    67    69   0.59950  1.0 1.0
   63    65    67    69  -0.21400 -1.0 2.0
   63    65    67    69   0.56200  1.0 3.0
   63    65    80    49   0.21200  1.0 1.0
   63    65    80    49   0.16900 -1.0 2.0
   63    65    80    49  -1.15100  1.0 3.0
   63    65   -80    55   0.34400  1.0 1.0
   63    65   -80    55   0.09450 -1.0 2.0
   63    65   -80    55   0.11100  1.0 3.0
   63    65    80    77   0.34400  1.0 1.0
   63    65    80    77   0.09450 -1.0 2.0
   63    65    80    77   0.11100  1.0 3.0
   64    63    65    66   0.33100  1.0 3.0
   64    63    65    67   0.00000  1.0 1.0
   64    63    65    80   0.00000  1.0 1.0
   65    67   -50    48  -0.03700  1.0 1.0
   65    67   -50    48   0.37200 -1.0 2.0
   65    67   -50    48  -0.47300  1.0 3.0
   65    67    50    51   0.15000  1.0 3.0
   65    67    50    52   0.15000  1.0 3.0
   65    67    69    70   0.23450  1.0 1.0
   65    67    69    70   0.02050 -1.0 2.0
   65    67    69    70   0.25250  1.0 3.0
   65    67    69    73   0.58650  1.0 1.0
   65    67    69    73   0.12600 -1.0 2.0
   65    67    69    73   0.33350  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    50   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    80    49   0.43200  1.0 3.0
   66    65    80    55   0.15000  1.0 3.0
   66    65    80    77   0.15000  1.0 3.0
   67    65   -80    49  -0.03700  1.0 1.0
   67    65   -80    49   0.37200 -1.0 2.0
   67    65   -80    49  -0.47300  1.0 3.0
   67    65    80    55   0.56750  1.0 1.0
   67    65    80    55  -0.07550 -1.0 2.0
   67    65    80    55   0.20000  1.0 3.0
   67    65    80    77   0.56750  1.0 1.0
   67    65    80    77  -0.07550 -1.0 2.0
   67    65    80    77   0.20000  1.0 3.0
   67    69    70    71   0.28000  1.0 3.0
   67    69    70    72   0.28000  1.0 3.0
   67    69   -70    77   0.23450  1.0 1.0
   67    69   -70    77   0.02050 -1.0 2.0
   67    69   -70    77   0.25250  1.0 3.0
   67    69    73    74   0.28000  1.0 3.0
   67    69    73    75   0.28000  1.0 3.0
   67    69    73    76   0.28000  1.0 3.0
   68    67    50    48   0.43200  1.0 3.0
   68    67    50    51   0.15000  1.0 3.0
   68    67    50    52   0.15000  1.0 3.0
   68    67    69    70   0.28000  1.0 3.0
   68    67    69    73   0.28000  1.0 3.0
   50    48    49    53   3.62500 -1.0 2.0
   50    48    49    80   3.62500 -1.0 2.0
   50    67    69    70   0.23450  1.0 1.0
   50    67    69    70   0.02050 -1.0 2.0
   50    67    69    70   0.25250  1.0 3.0
   50    67    69    73   0.58650  1.0 1.0
   50    67    69    73   0.12600 -1.0 2.0
   50    67    69    73   0.33350  1.0 3.0
   69    67    50    48   0.83750  1.0 1.0
   69    67    50    48   0.32200 -1.0 2.0
   69    67    50    48   0.70600  1.0 3.0
   69    67    50    51   0.15000  1.0 3.0
   69    67    50    52   0.15000  1.0 3.0
   69    70    77    78   0.15000  1.0 3.0
   69    70    77    79   0.15000  1.0 3.0
   69    70    77    80   1.53400  1.0 1.0
   69    70    77    80  -0.09950 -1.0 2.0
   69    70    77    80   0.05700  1.0 3.0
   70    69    73    74   0.28000  1.0 3.0
   70    69    73    75   0.28000  1.0 3.0
   70    69    73    76   0.28000  1.0 3.0
   70    77    80    49  -0.03700  1.0 1.0
   70    77    80    49   0.37200 -1.0 2.0
   70    77    80    49  -0.47300  1.0 3.0
   70    77    80    55   0.56750  1.0 1.0
   70    77    80    55  -0.07550 -1.0 2.0
   70    77    80    55   0.20000  1.0 3.0
   70    77   -80    65   0.56750  1.0 1.0
   70    77   -80    65  -0.07550 -1.0 2.0
   70    77   -80    65   0.20000  1.0 3.0
   71    70    77    78   0.15000  1.0 3.0
   71    70    77    79   0.15000  1.0 3.0
   71    70    77    80   0.15000  1.0 3.0
   72    70    77    78   0.15000  1.0 3.0
   72    70    77    79   0.15000  1.0 3.0
   72    70    77    80   0.15000  1.0 3.0
   78    77    80    49   0.43200  1.0 3.0
   78    77    80    55   0.15000  1.0 3.0
   78    77    80    65   0.15000  1.0 3.0
   79    77    80    49   0.43200  1.0 3.0
   79    77    80    55   0.15000  1.0 3.0
   79    77    80    65   0.15000  1.0 3.0
   80    49    53    43   3.62500 -1.0 2.0
   80    49   -53    54   3.62500 -1.0 2.0
   80    55    57    58   0.15000  1.0 3.0
   80    55   -57    59   0.34400  1.0 1.0
   80    55   -57    59   0.09450 -1.0 2.0
   80    55   -57    59   0.11100  1.0 3.0
   80    55    57    61   0.86500  1.0 1.0
   80    55    57    61  -0.17500 -1.0 2.0
   80    55    57    61   0.20800  1.0 3.0
   80    65    67    68   0.15000  1.0 3.0
   80    65   -67    50   0.56750  1.0 1.0
   80    65   -67    50  -0.07550 -1.0 2.0
   80    65   -67    50   0.20000  1.0 3.0
   80    65   -67    69   1.53400  1.0 1.0
   80    65   -67    69  -0.09950 -1.0 2.0
   80    65   -67    69   0.05700  1.0 3.0
   73    69    70    71   0.28000  1.0 3.0
   73    69    70    72   0.28000  1.0 3.0
   73    69    70    77   0.58650  1.0 1.0
   73    69    70    77   0.12600 -1.0 2.0
   73    69    70    77   0.33350  1.0 3.0
   61    57    59    60   0.00000  1.0 1.0
   61    57    59    63   0.67800  1.0 1.0
   61    57    59    63   0.47050 -1.0 2.0
   61    57    59    63  -0.62500  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
   37    30    35    36  10.50000 -1.0 2.0
   44    53    43    42   4.00000 -1.0 2.0
   46    45    44    43   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   49    50    48    46   4.00000 -1.0 2.0
   53    80    49    48   4.00000 -1.0 2.0
   49    54    53    43   4.00000 -1.0 2.0
   57    60    59    63   1.10000 -1.0 2.0
   65    64    63    59   1.10000 -1.0 2.0
END
