* LIGAND DATABASE FILE (OPLS2005)
*
001      84    87    160    248     466
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02121    92.96428   -64.09714
    3     1 S   H    _H1_     3     1.02083    87.50654    44.48233
    4     1 S   H    _H2_     4     1.02118    33.11529   175.37556
    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     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   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   CT   _C22    36     1.81591    98.33029   -78.12498
   34    33 S   HC   _H23    37     1.09442   108.46006   -56.37375
   35    33 S   HC   _H24    38     1.09438   108.66206    58.33006
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CM   _C20    39     1.51913   110.67502   180.00000
   40    39 S   CMA  _C19    40     1.36733   123.13676   -88.58383
   41    40 S   OM   _O40    41     1.26996   125.48803    -0.66382
   42    39 S   CT   _C21    80     1.51971   113.93495    90.81861
   43    42 S   HC   _H20    81     1.09457   110.26612    60.62781
   44    42 S   HC   _H21    82     1.09472   113.21993  -179.18651
   45    40 S   OS   _O38    42     1.41697   111.26075  -178.79618
   46    42 S   OH   _O39    83     1.42276   109.38376   -58.81800
   47    46 S   HO   _H22    84     0.97045   106.70103   180.00000
   48    45 S   CT   _C7_    43     1.43949   113.42949  -150.00080
   49    48 S   HC   _H4_    44     1.10005   106.37878   -40.00363
   50    48 S   CT   _C8_    45     1.54716   103.18462    77.20987
   51    50 S   HC   _H10    46     1.10002   108.07782   -38.45774
   52    50 S   HC   _H11    47     1.09908   108.05815    73.36221
   53    48 S   CT   _C6_    62     1.55420   108.47881  -158.18774
   54    53 S   HC   _H3_    63     1.10056   108.41972   -72.99118
   55    50 S   C3T  _C9_    48     1.51222   119.58762  -159.59754
   56    53 S   CM   _C5_    64     1.50967   118.86057    47.69199
   57    55 S   C3T  _C10    49     1.53853   116.51547  -122.09339
   58    57 S   HC   _H5_    50     1.08259   119.12453     5.88650
   59    56 S   CO4  _C16    65     1.48283   108.03977   155.43327
   60    59 S   O    _O35    66     1.21675   127.53398   163.79280
   61    56 S   CM   _C4_    68     1.33606   133.35160   -21.55633
   62    61 S   HC   _H8_    69     1.08253   120.66544    -3.21625
   63    61 S   HC   _H9_    70     1.08260   120.61379   176.75369
   64    55 S   CO   _C18    75     1.51900   119.93957    43.58603
   65    64 S   HC   _H7_    76     1.11702   110.61822   166.89165
   66    57 S   CT   _C11    51     1.49838   121.38283   154.31959
   67    66 S   HC   _H12    52     1.09693   109.22416   160.10975
   68    66 S   HC   _H13    53     1.09532   111.58710    43.42471
   69    82 S   OS   _O34    67     1.44179   107.42709   129.58281
   70    64 S   OH   _O37    77     1.43145   110.88764    50.77112
   71    70 S   HO   _H19    78     0.96807   106.29657   179.96574
   72    55 S   O3T  _O33    79     1.45284   112.59632   175.22004
   73    66 S   CT   _C12    54     1.53830   110.91892   -79.59852
   74    73 S   HC   _H14    55     1.09796   108.58107   -77.94129
   75    73 S   HC   _H15    56     1.09582   110.44562   166.14593
   76    73 S   CM   _C13    57     1.51361   110.93337    43.24013
   77    76 S   CM   _C14    58     1.34759   119.43168  -100.86176
   78    77 S   HC   _H16    59     1.08920   118.65680    -6.37849
   79    76 S   CT   _C17    71     1.50997   116.03345    69.21575
   80    79 S   HC   _H17    72     1.09596   112.12994     8.30303
   81    79 S   HC   _H18    73     1.09641   109.03523   125.67192
   82    77 S   CT   _C15    60     1.49456   125.64574   168.23814
   83    82 S   HC   _H6_    61     1.09668   111.69315    13.79190
   84    79 S   OS   _O36    74     1.43050   112.00441  -115.28707
  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   6   5   4   3
  10   4   3   2   1   1   9  10   3   5   3   2  10   1   1  17
   8  15   6   5  14   7  13   9  13   6   8   3   4   1   1  10
   5   9   6   5   5   4   1   2  10   4   3   8   7   3   4   2
   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    45    42    43    44    46  
   35    39    40    42  
   39    40    42  
   37    38  
   38  
    0  
   40    41    45    48    42    43    44    46    47  
   41    45    48    49    50    53    42    43    44    46  
   45    48    42  
   43    44    46    47    45  
   44    46    47  
   46    47  
   48    49    50    51    52    55    82    53    54    56  
   47  
    0  
   49    50    51    52    55    57    77    82    83    53    54    56    59    69    61    64    72  
   50    51    52    55    82    53    54    56  
   51    52    55    57    58    66    82    53    54    56    84    64    65    70    72  
   52    55    57    53    64    72  
   55    57    53    64    72  
   54    56    59    60    69    61    62    63    55    76    77    78    82    83  
   56    59    69    61    77    82    83  
   57    58    66    67    68    73    79    84    64    65    70    71    72  
   59    60    69    61    62    63    77    82    83  
   58    66    67    68    73    74    75    76    84    64    65    70    72  
   66    67    68    73    64    72  
   60    69    61    62    63    77    82    83  
   69    61    82  
   62    63    69    82  
   63  
    0  
   65    70    71    72    66    76    79    80    81    84  
   70    71    72    79    84  
   67    68    73    74    75    76    77    79    72  
   68    73    74    75    76    72  
   73    74    75    76    72  
   76    77    78    82    83  
   71    72    79    84  
   84  
   73    84  
   74    75    76    77    78    82    79    80    81    84  
   75    76    77    79  
   76    77    79  
   77    78    82    83    79    80    81    84  
   78    82    83    79    80    81    84  
   82    83    79  
   80    81    84    82  
   81    84  
   84  
   83  
    0  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   84   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    42   317.000  1.510
   40    41   745.000  1.250
   40    45   440.000  1.360
   45    48   320.000  1.410
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    53   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   275.000  1.510
   55    57   260.000  1.509
   55    64   275.000  1.510
   55    72   335.000  1.432
   57    58   340.000  1.088
   57    66   275.000  1.510
   57    72   335.000  1.432
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   317.000  1.510
   76    77   549.000  1.340
   76    79   317.000  1.510
   77    78   340.000  1.080
   77    82   317.000  1.510
   82    83   340.000  1.090
   82    53   268.000  1.529
   82    69   320.000  1.410
   53    54   340.000  1.090
   53    56   317.000  1.510
   56    59   320.000  1.462
   56    61   549.000  1.340
   59    60   570.000  1.229
   59    69   214.000  1.327
   61    62   340.000  1.080
   61    63   340.000  1.080
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    84   320.000  1.410
   84    64   320.000  1.380
   64    65   340.000  1.090
   64    70   380.000  1.407
   70    71   553.000  0.945
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    46   320.000  1.410
   46    47   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    42    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    45    80.00000  120.01400
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    46    90.00000  110.39200
   40    45    48    90.00000  111.18400
   45    40    41    65.00000  121.00000
   45    48    49    35.00000  109.50000
   45    48    50    50.00000  109.50000
   45    48    53    50.00000  109.50000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    55    70.00000  112.37300
   48    53    82    58.35000  112.70000
   48    53    54    37.50000  110.70000
   48    53    56    70.00000  112.02700
   50    48    49    37.50000  110.70000
   50    55    57    60.00000  120.94000
   50    55    64    75.00000  109.43000
   50    55    72    80.00000  116.47100
   52    50    51    33.00000  107.80000
   55    50    51    45.00000  109.38400
   55    50    52    45.00000  109.38400
   55    57    58    37.50000  117.20000
   55    57    66    60.00000  120.94000
   55    57    72    15.00000   60.43100
   55    64    84    90.00000  108.56700
   55    64    65    45.00000  112.01100
   55    64    70    90.00000  110.19100
   55    72    57    15.00000   59.14900
   57    66    67    45.00000  109.38400
   57    66    68    45.00000  109.38400
   57    66    73    70.00000  112.37300
   66    57    58    40.00000  115.04500
   66    73    74    37.50000  110.70000
   66    73    75    37.50000  110.70000
   66    73    76    70.00000  112.02700
   68    66    67    33.00000  107.80000
   73    66    67    37.50000  110.70000
   73    66    68    37.50000  110.70000
   73    76    77    70.00000  124.00000
   73    76    79    65.00000  117.92700
   75    73    74    33.00000  107.80000
   76    73    74    35.00000  109.50000
   76    73    75    35.00000  109.50000
   76    77    78    35.00000  120.00000
   76    77    82    70.00000  124.00000
   76    79    80    35.00000  109.50000
   76    79    81    35.00000  109.50000
   76    79    84    85.00000  110.90400
   77    82    83    35.00000  109.50000
   77    82    53    70.00000  112.02700
   77    82    69    85.00000  110.90400
   82    77    78    35.00000  117.00000
   82    53    54    37.50000  110.70000
   82    53    56    70.00000  112.02700
   82    69    59    83.00000  116.90000
   53    48    49    37.50000  110.70000
   53    48    50    58.35000  112.70000
   53    82    83    37.50000  110.70000
   53    56    59    65.00000  116.34900
   53    56    61    70.00000  124.00000
   56    53    54    35.00000  109.50000
   56    59    60    80.00000  123.72100
   56    59    69    90.00000  111.29400
   56    61    62    35.00000  120.00000
   56    61    63    35.00000  120.00000
   69    82    83    35.00000  109.50000
   69    82    53    50.00000  109.50000
   69    59    60    83.00000  123.40000
   61    56    59    65.00000  118.96000
   63    61    62    35.00000  117.00000
   79    76    77    70.00000  124.00000
   79    84    64    60.00000  109.50000
   81    79    80    33.00000  107.80000
   84    79    80    35.00000  109.50000
   84    79    81    35.00000  109.50000
   84    64    65    35.00000  109.50000
   84    64    70   110.00000  112.08000
   64    55    57    60.00000  120.94000
   64    70    71    70.00000  107.92000
   70    64    65    60.00000  108.02500
   72    55    57    15.00000   60.43100
   72    55    64    80.00000  116.47100
   72    57    58    50.00000  114.27700
   72    57    66    80.00000  116.47100
   42    39    40    70.00000  124.00000
   42    46    47    55.00000  108.50000
   44    42    43    33.00000  107.80000
   46    42    43    35.00000  109.50000
   46    42    44    35.00000  109.50000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    45   7.00000 -1.0 2.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    44   0.34800  1.0 3.0
   33    39    42    46   0.18000  1.0 1.0
   33    39    42    46   0.16450 -1.0 2.0
   33    39    42    46   0.04450  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    42   0.34800  1.0 3.0
   39    40    45    48  -2.26850  1.0 1.0
   39    40    45    48   3.39050 -1.0 2.0
   39    42    46    47  -0.07800  1.0 1.0
   39    42    46    47  -0.21500 -1.0 2.0
   39    42    46    47  -0.03150  1.0 3.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    46   0.67800  1.0 1.0
   40    39    42    46   0.47050 -1.0 2.0
   40    39    42    46  -0.62500  1.0 3.0
   40    45    48    49   0.08050  1.0 3.0
   40    45    48    50  -0.46850  1.0 1.0
   40    45    48    50   0.09300 -1.0 2.0
   40    45    48    50  -0.12850  1.0 3.0
   40    45    48    53  -0.46850  1.0 1.0
   40    45    48    53   0.09300 -1.0 2.0
   40    45    48    53  -0.12850  1.0 3.0
   41    40    45    48   2.00000 -1.0 2.0
   45    48    50    51   0.23400  1.0 3.0
   45    48    50    52   0.23400  1.0 3.0
   45    48    50    55  -0.26800  1.0 1.0
   45    48    50    55   0.69150 -1.0 2.0
   45    48    50    55  -0.48750  1.0 3.0
   45    48    53    82   0.62750  1.0 1.0
   45    48    53    82  -0.30950 -1.0 2.0
   45    48    53    82   0.27300  1.0 3.0
   45    48    53    54   0.23400  1.0 3.0
   45    48    53    56   0.61850  1.0 1.0
   45    48    53    56  -0.22750 -1.0 2.0
   45    48    53    56   0.15300  1.0 3.0
   48    50    55    57   0.07850  1.0 1.0
   48    50    55    57  -0.03950 -1.0 2.0
   48    50    55    57   0.67350  1.0 3.0
   48    50    55    64   3.97050  1.0 1.0
   48    50    55    72   0.02550  1.0 1.0
   48    50    55    72  -0.02600 -1.0 2.0
   48    50    55    72   1.20400  1.0 3.0
   48    53    56    59   0.09700  1.0 1.0
   48    53    56    59   0.15600 -1.0 2.0
   48    53    56    59  -0.50800  1.0 3.0
   48    53    56    61   0.09850  1.0 1.0
   48    53    56    61   0.15250 -1.0 2.0
   48    53    56    61  -0.50650  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    55   0.15000  1.0 3.0
   49    48    53    82   0.15000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    56   0.15000  1.0 3.0
   50    48    53    82   0.56750  1.0 1.0
   50    48    53    82  -0.07550 -1.0 2.0
   50    48    53    82   0.20000  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    56   0.34400  1.0 1.0
   50    48    53    56   0.09450 -1.0 2.0
   50    48    53    56   0.11100  1.0 3.0
   50    55    57    58   0.15000  1.0 3.0
   50    55    57    66   0.56750  1.0 1.0
   50    55    57    66  -0.07550 -1.0 2.0
   50    55    57    66   0.20000  1.0 3.0
   50    55   -57    72   0.02550  1.0 1.0
   50    55   -57    72  -0.02600 -1.0 2.0
   50    55   -57    72   1.20400  1.0 3.0
   50    55    64    84   0.62750  1.0 1.0
   50    55    64    84  -0.30950 -1.0 2.0
   50    55    64    84   0.27300  1.0 3.0
   50    55    64    65   0.15000  1.0 3.0
   50    55    64    70   0.86500  1.0 1.0
   50    55    64    70  -0.17500 -1.0 2.0
   50    55    64    70   0.20800  1.0 3.0
   50    55   -72    57   0.06250  1.0 1.0
   50    55   -72    57  -0.01100 -1.0 2.0
   50    55   -72    57   0.28050  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    64   0.15000  1.0 3.0
   51    50    55    72   0.23400  1.0 3.0
   52    50    55    57   0.15000  1.0 3.0
   52    50    55    64   0.15000  1.0 3.0
   52    50    55    72   0.23400  1.0 3.0
   55    57    66    67   0.15000  1.0 3.0
   55    57    66    68   0.15000  1.0 3.0
   55    57    66    73   0.07850  1.0 1.0
   55    57    66    73  -0.03950 -1.0 2.0
   55    57    66    73   0.67350  1.0 3.0
   55    64    70    71  -0.11600  1.0 1.0
   55    64    70    71  -0.09450 -1.0 2.0
   55    64    70    71   0.21250  1.0 3.0
   57    55    64    84  -0.26800  1.0 1.0
   57    55    64    84   0.69150 -1.0 2.0
   57    55    64    84  -0.48750  1.0 3.0
   57    55    64    65   0.15000  1.0 3.0
   57    55    64    70   0.86500  1.0 1.0
   57    55    64    70  -0.17500 -1.0 2.0
   57    55    64    70   0.20800  1.0 3.0
   57    66    73    74   0.15000  1.0 3.0
   57    66    73    75   0.15000  1.0 3.0
   57    66    73    76   0.34400  1.0 1.0
   57    66    73    76   0.09450 -1.0 2.0
   57    66    73    76   0.11100  1.0 3.0
   58    57    66    67   0.15000  1.0 3.0
   58    57    66    68   0.15000  1.0 3.0
   58    57    66    73   0.15000  1.0 3.0
   58    57   -72    55   0.36800  1.0 3.0
   66    57   -72    55   0.06250  1.0 1.0
   66    57   -72    55  -0.01100 -1.0 2.0
   66    57   -72    55   0.28050  1.0 3.0
   66    73    76    77   0.09850  1.0 1.0
   66    73    76    77   0.15250 -1.0 2.0
   66    73    76    77  -0.50650  1.0 3.0
   66    73    76    79   0.46850  1.0 1.0
   66    73    76    79   0.08550 -1.0 2.0
   66    73    76    79   0.09800  1.0 3.0
   67    66    73    74   0.15000  1.0 3.0
   67    66    73    75   0.15000  1.0 3.0
   67    66    73    76   0.15000  1.0 3.0
   68    66    73    74   0.15000  1.0 3.0
   68    66    73    75   0.15000  1.0 3.0
   68    66    73    76   0.15000  1.0 3.0
   73    76    77    78   7.00000 -1.0 2.0
   73    76    77    82   7.00000 -1.0 2.0
   73    76    79    80   0.34800  1.0 3.0
   73    76    79    81   0.34800  1.0 3.0
   73    76    79    84   0.09700  1.0 1.0
   73    76    79    84   0.15600 -1.0 2.0
   73    76    79    84  -0.50800  1.0 3.0
   74    73    76    77   0.00000  1.0 1.0
   74    73    76    79   0.34800  1.0 3.0
   75    73    76    77   0.00000  1.0 1.0
   75    73    76    79   0.34800  1.0 3.0
   76    77    82    83   0.00000  1.0 1.0
   76    77    82    53   0.09850  1.0 1.0
   76    77    82    53   0.15250 -1.0 2.0
   76    77    82    53  -0.50650  1.0 3.0
   76    77    82    69   0.39000  1.0 1.0
   76    77    82    69  -0.05800 -1.0 2.0
   76    77    82    69  -0.55150  1.0 3.0
   76    79    84    64  -0.77900  1.0 1.0
   76    79    84    64  -0.36900 -1.0 2.0
   76    79    84    64   0.40400  1.0 3.0
   77    76    79    80   0.00000  1.0 1.0
   77    76    79    81   0.00000  1.0 1.0
   77    76    79    84   0.39000  1.0 1.0
   77    76    79    84  -0.05800 -1.0 2.0
   77    76    79    84  -0.55150  1.0 3.0
   77    82    53    48   0.34400  1.0 1.0
   77    82    53    48   0.09450 -1.0 2.0
   77    82    53    48   0.11100  1.0 3.0
   77    82    53    54   0.15000  1.0 3.0
   77    82    53    56   0.31000  1.0 1.0
   77    82    53    56   0.14700 -1.0 2.0
   77    82    53    56   0.07550  1.0 3.0
   77    82    69    59  -0.82050  1.0 1.0
   77    82    69    59   0.00600 -1.0 2.0
   77    82    69    59   0.04400  1.0 3.0
   78    77    82    83   0.33100  1.0 3.0
   78    77    82    53   0.00000  1.0 1.0
   78    77    82    69   0.00000  1.0 1.0
   82    53   -56    59   0.09700  1.0 1.0
   82    53   -56    59   0.15600 -1.0 2.0
   82    53   -56    59  -0.50800  1.0 3.0
   82    53    56    61   0.09850  1.0 1.0
   82    53    56    61   0.15250 -1.0 2.0
   82    53    56    61  -0.50650  1.0 3.0
   83    82    53    48   0.15000  1.0 3.0
   83    82    53    54   0.15000  1.0 3.0
   83    82    53    56   0.15000  1.0 3.0
   83    82    69    59   0.08050  1.0 3.0
   53    48    50    51   0.15000  1.0 3.0
   53    48    50    52   0.15000  1.0 3.0
   53    48    50    55   0.47050  1.0 1.0
   53    48    50    55   0.03900 -1.0 2.0
   53    48    50    55   0.20100  1.0 3.0
   53    82   -69    59  -0.25900  1.0 1.0
   53    82   -69    59  -0.47000 -1.0 2.0
   53    82   -69    59   0.11750  1.0 3.0
   53    56    59    60  -0.64400  1.0 1.0
   53    56    59    60   0.26850 -1.0 2.0
   53    56   -59    69  -0.15000  1.0 1.0
   53    56   -59    69   0.89550 -1.0 2.0
   53    56   -59    69  -0.06900  1.0 3.0
   53    56    61    62   7.00000 -1.0 2.0
   53    56    61    63   7.00000 -1.0 2.0
   54    53    56    59   0.15000  1.0 3.0
   54    53    56    61   0.00000  1.0 1.0
   56    59   -69    82   2.00000 -1.0 2.0
   59    56    61    62   7.00000 -1.0 2.0
   59    56    61    63   7.00000 -1.0 2.0
   60    59    69    82   3.00000 -1.0 2.0
   69    82    53    48   0.62750  1.0 1.0
   69    82    53    48  -0.30950 -1.0 2.0
   69    82    53    48   0.27300  1.0 3.0
   69    82    53    54   0.23400  1.0 3.0
   69    82   -53    56   0.61850  1.0 1.0
   69    82   -53    56  -0.22750 -1.0 2.0
   69    82   -53    56   0.15300  1.0 3.0
   61    56    59    60   1.00000 -1.0 2.0
   61    56    59    69  -0.56150  1.0 1.0
   61    56    59    69   2.19150 -1.0 2.0
   79    76    77    78   7.00000 -1.0 2.0
   79    76    77    82   7.00000 -1.0 2.0
   79    84    64    55   0.06250  1.0 1.0
   79    84    64    55  -0.01100 -1.0 2.0
   79    84    64    55   0.28050  1.0 3.0
   79    84    64    65   0.37050  1.0 3.0
   79    84    64    70  -0.70900  1.0 1.0
   79    84    64    70  -1.18000 -1.0 2.0
   79    84    64    70   0.91650  1.0 3.0
   80    79    84    64   0.37050  1.0 3.0
   81    79    84    64   0.37050  1.0 3.0
   84    64    70    71  -0.50000  1.0 1.0
   84    64    70    71  -0.73950 -1.0 2.0
   84    64    70    71   0.17150  1.0 3.0
   64    55    57    58   0.15000  1.0 3.0
   64    55    57    66   3.97050  1.0 1.0
   64    55   -57    72   0.02550  1.0 1.0
   64    55   -57    72  -0.02600 -1.0 2.0
   64    55   -57    72   1.20400  1.0 3.0
   64    55   -72    57   0.06250  1.0 1.0
   64    55   -72    57  -0.01100 -1.0 2.0
   64    55   -72    57   0.28050  1.0 3.0
   65    64    70    71   0.19450  1.0 3.0
   72    55   -57    58   0.23400  1.0 3.0
   72    55   -57    66   0.02550  1.0 1.0
   72    55   -57    66  -0.02600 -1.0 2.0
   72    55   -57    66   1.20400  1.0 3.0
   72    55    64    84   1.11900  1.0 1.0
   72    55    64    84  -1.16350 -1.0 2.0
   72    55    64    84  -0.34150  1.0 3.0
   72    55    64    65   0.23400  1.0 3.0
   72    55    64    70   3.69350  1.0 1.0
   72    55    64    70  -1.82950 -1.0 2.0
   72    57    66    67   0.23400  1.0 3.0
   72    57    66    68   0.23400  1.0 3.0
   72    57    66    73   0.02550  1.0 1.0
   72    57    66    73  -0.02600 -1.0 2.0
   72    57    66    73   1.20400  1.0 3.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    45   7.00000 -1.0 2.0
   43    42    46    47   0.19450  1.0 3.0
   44    42    46    47   0.19450  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
   37    30    36    38  10.50000 -1.0 2.0
   33    42    39    40  15.00000 -1.0 2.0
   41    45    40    39  15.00000 -1.0 2.0
   73    79    76    77   1.10000 -1.0 2.0
   82    78    77    76   1.10000 -1.0 2.0
   53    59    56    61   1.10000 -1.0 2.0
   56    69    59    60  10.50000 -1.0 2.0
   62    63    61    56   1.10000 -1.0 2.0
END
