* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    156    245     451
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02047   105.46296   -29.25527
    3     1 S   H    _H1_     3     1.02033    65.20329    74.57251
    4     1 S   H    _H2_     4     1.02097    47.40003  -130.59372
    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     1.08639   110.48971    58.89540
   26    24 S   HC   HB22    34     1.08603   109.84388   178.97283
   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   _C13    36     1.80026    98.84518   161.80378
   34    33 S   HC   _H5_    37     1.09757   106.31704   -59.66182
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   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   CM   _C10    38     1.49877   118.14913   179.98022
   39    38 S   CM   _C11    39     1.34075   106.05871  -151.40502
   40    38 S   CT   _C9_    62     1.49235   124.71316    32.24150
   41    40 S   HC   _H14    63     1.09554   110.43745   -20.63108
   42    40 S   HC   _H15    64     1.09923   106.69853    91.38222
   43    39 S   OS   _O35    40     1.40028   115.24466     7.41206
   44    39 S   OH   _O39    81     1.36738   124.86663  -174.39825
   45    44 S   HO   _H23    82     0.96639   110.48886   179.98022
   46    33 S   CT   _C12    41     1.53831   115.72220    62.06226
   47    46 S   HC   _H4_    42     1.09650   108.98758   -83.33125
   48    46 S   CT   _C14    43     1.55498   118.69271    40.48326
   49    48 S   HC   _H16    44     1.09889   107.67444  -170.60640
   50    48 S   HC   _H17    45     1.09464   110.82837   -55.60843
   51    48 S   C3T  _C15    46     1.49682   113.48543    70.44155
   52    51 S   C3T  _C16    47     1.51277   121.33956   -80.68756
   53    52 S   HC   _H6_    48     1.07756   123.06761    -5.51235
   54    51 S   CT   _C22    77     1.50095   114.50840    81.67169
   55    54 S   HC   _H20    78     1.09752   111.12786  -180.00000
   56    54 S   HC   _H21    79     1.09806   111.05818    60.04379
   57    54 S   HC   _H22    80     1.09741   111.11221   -59.94441
   58    52 S   CT   _C17    49     1.49526   117.87304   148.50606
   59    58 S   HC   _H7_    50     1.09664   111.42654    -8.39328
   60    51 S   O3T  _O36    76     1.42570   117.69477  -149.11870
   61    58 S   CT   _C18    51     1.53572   115.02515  -134.03519
   62    61 S   HC   _H8_    52     1.09956   110.20221   -43.23472
   63    61 S   CM   _C19    53     1.50938    97.30765  -153.28493
   64    61 S   CT   _C8_    60     1.55300   117.42696    81.49453
   65    64 S   HC   _H3_    61     1.09500   110.21830    56.67082
   66    63 S   CO4  _C21    54     1.47887   108.25533    29.68415
   67    66 S   O    _O37    55     1.21741   127.55881   164.45475
   68    63 S   CM   _C20    57     1.33636   132.75518  -146.77842
   69    68 S   HC   _H18    58     1.08263   120.68462    -3.89139
   70    68 S   HC   _H19    59     1.08343   120.62013   176.11980
   71    64 S   OS   _O34    65     1.43964   107.17868   172.52339
   72    58 S   OS   _O38    56     1.44254   108.12398   108.71441
   73    71 S   CO4  _C7_    66     1.35751   115.35404  -148.09167
   74    73 S   O    _O33    67     1.22212   126.21504    -0.04423
   75    73 S   CM   _C5_    68     1.49012   109.19792  -179.93744
   76    75 S   CM   _C6_    69     1.34169   117.24701  -150.07905
   77    76 S   HC   _H12    70     1.08586   120.80237  -180.00000
   78    76 S   HC   _H13    71     1.08398   122.72705     0.00000
   79    75 S   CT   _C4_    72     1.49797   120.35533    29.93530
   80    79 S   HC   _H9_    73     1.09499   110.52982   -90.01639
   81    79 S   HC   _H10    74     1.09460   110.57171    30.49876
   82    79 S   HC   _H11    75     1.09478   111.89618   150.25416
  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   9   5   4   3
  15   7   2   1   1  14  10  13   5   4   8   2   1   8   4  11
   5   4  11  14   6   5   3   2   1  12   7   2  12   7   9   8
   2   5   2   3   1   1   5   1   9   3   7   6   2   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    46    47    48    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    46    47    48    49    50    51    64    40    41    42    44  
   38    39    43    46    47    48    40  
   36    37  
   37  
    0  
   39    43    46    47    48    61    64    65    40    41    42    71    44    45  
   43    46    47    48    64    40    41    42    44    45  
   41    42    71    73    44    43    46    58    61    62    63    64    65  
   42    71    61    64    65  
   71    61    64    65  
   46    47    48    49    50    51    44    45  
   45    46  
    0  
   47    48    49    50    51    52    60    54  
   48    49    50    51  
   49    50    51    52    53    58    60    54    55    56    57  
   50    51    52    60    54  
   51    52    60    54  
   52    53    58    59    61    72    60    54    55    56    57  
   53    58    59    61    62    63    66    72    64    60    54    55    56    57  
   58    59    61    72    60    54  
   55    56    57    58    60  
   56    57    60  
   57    60  
   60  
   59    61    62    63    66    67    72    68    64    65    71    60  
   61    62    63    66    72    64    60  
   61    72  
   62    63    66    67    72    68    69    70    64    65    71    73  
   63    66    72    68    64    65    71  
   66    67    72    68    69    70    64    65    71  
   65    71    73    74    75    66    68    72  
   71    73  
   67    72    68    69    70  
   72    68  
   69    70    72  
   70  
    0  
   73    74    75    76    79  
    0  
   74    75    76    77    78    79    80    81    82  
   75    76    79  
   76    77    78    79    80    81    82  
   77    78    79    80    81    82  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5000   0.0660  -0.120000   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   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   340.000  1.090
   33    38   317.000  1.510
   33    46   268.000  1.529
   38    39   549.000  1.340
   38    40   317.000  1.510
   39    43   440.000  1.360
   39    44   510.000  1.338
   43    46   320.000  1.410
   46    47   340.000  1.090
   46    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   275.000  1.510
   51    52   260.000  1.509
   51    60   335.000  1.432
   51    54   275.000  1.510
   52    53   340.000  1.088
   52    58   275.000  1.510
   52    60   335.000  1.432
   58    59   340.000  1.090
   58    61   268.000  1.529
   58    72   320.000  1.410
   61    62   340.000  1.090
   61    63   317.000  1.510
   61    64   268.000  1.529
   63    66   320.000  1.462
   63    68   549.000  1.340
   66    67   570.000  1.229
   66    72   214.000  1.327
   68    69   340.000  1.080
   68    70   340.000  1.080
   64    65   340.000  1.090
   64    40   268.000  1.529
   64    71   320.000  1.410
   40    41   340.000  1.090
   40    42   340.000  1.090
   71    73   214.000  1.327
   73    74   570.000  1.229
   73    75   320.000  1.462
   75    76   549.000  1.340
   75    79   317.000  1.510
   76    77   340.000  1.080
   76    78   340.000  1.080
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   44    45   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    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    46    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    40    65.00000  117.92700
   33    46    43    50.00000  109.50000
   33    46    47    37.50000  110.70000
   33    46    48    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    43    80.00000  120.01400
   38    39    44    80.00000  121.38400
   38    40    64    70.00000  112.02700
   38    40    41    35.00000  109.50000
   38    40    42    35.00000  109.50000
   39    43    46    90.00000  111.18400
   39    44    45    70.00000  107.45700
   43    46    47    35.00000  109.50000
   43    46    48    50.00000  109.50000
   46    33    34    37.50000  110.70000
   46    33    38    70.00000  112.02700
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    51    70.00000  112.37300
   48    46    47    37.50000  110.70000
   48    51    52    60.00000  120.94000
   48    51    60    80.00000  116.47100
   48    51    54    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    45.00000  109.38400
   51    48    50    45.00000  109.38400
   51    52    53    37.50000  117.20000
   51    52    58    60.00000  120.94000
   51    52    60    15.00000   60.43100
   51    60    52    15.00000   59.14900
   51    54    55    45.00000  109.38400
   51    54    56    45.00000  109.38400
   51    54    57    45.00000  109.38400
   52    58    59    45.00000  109.38400
   52    58    61    70.00000  112.37300
   52    58    72    50.00000  109.50000
   58    52    53    40.00000  115.04500
   58    61    62    37.50000  110.70000
   58    61    63    70.00000  112.02700
   58    61    64    58.35000  112.70000
   58    72    66    83.00000  116.90000
   61    58    59    37.50000  110.70000
   61    63    66    65.00000  116.34900
   61    63    68    70.00000  124.00000
   61    64    65    37.50000  110.70000
   61    64    40    58.35000  112.70000
   61    64    71    50.00000  109.50000
   63    61    62    35.00000  109.50000
   63    66    67    80.00000  123.72100
   63    66    72    90.00000  111.29400
   63    68    69    35.00000  120.00000
   63    68    70    35.00000  120.00000
   72    58    59    35.00000  109.50000
   72    58    61    50.00000  109.50000
   72    66    67    83.00000  123.40000
   68    63    66    65.00000  118.96000
   70    68    69    35.00000  117.00000
   64    61    62    37.50000  110.70000
   64    61    63    70.00000  112.02700
   64    40    41    37.50000  110.70000
   64    40    42    37.50000  110.70000
   64    71    73    83.00000  116.90000
   40    38    39    70.00000  124.00000
   40    64    65    37.50000  110.70000
   42    40    41    33.00000  107.80000
   71    64    65    35.00000  109.50000
   71    64    40    50.00000  109.50000
   71    73    74    83.00000  123.40000
   71    73    75    90.00000  111.29400
   73    75    76    65.00000  118.96000
   73    75    79    65.00000  116.34900
   75    73    74    80.00000  123.72100
   75    76    77    35.00000  120.00000
   75    76    78    35.00000  120.00000
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    82    35.00000  109.50000
   78    76    77    35.00000  117.00000
   79    75    76    70.00000  124.00000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   60    51    52    15.00000   60.43100
   60    52    53    50.00000  114.27700
   60    52    58    80.00000  116.47100
   54    51    52    60.00000  120.94000
   54    51    60    80.00000  116.47100
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   44    39    43   115.00000  116.36000
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   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    40   0.30250  1.0 1.0
   29    33    38    40  -0.14950 -1.0 2.0
   29    33    38    40   0.36900  1.0 3.0
   29    33    46    43   0.56750  1.0 1.0
   29    33    46    43  -0.07550 -1.0 2.0
   29    33    46    43   0.20000  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    48   0.44750  1.0 1.0
   29    33    46    48  -0.17800 -1.0 2.0
   29    33    46    48   0.20200  1.0 3.0
   33    38   -39    43   7.00000 -1.0 2.0
   33    38    39    44   7.00000 -1.0 2.0
   33    38    40    64   0.46850  1.0 1.0
   33    38    40    64   0.08550 -1.0 2.0
   33    38    40    64   0.09800  1.0 3.0
   33    38    40    41   0.34800  1.0 3.0
   33    38    40    42   0.34800  1.0 3.0
   33    46    48    49   0.15000  1.0 3.0
   33    46    48    50   0.15000  1.0 3.0
   33    46    48    51   0.47050  1.0 1.0
   33    46    48    51   0.03900 -1.0 2.0
   33    46    48    51   0.20100  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.34800  1.0 3.0
   34    33    46    43   0.23400  1.0 3.0
   34    33    46    47   0.15000  1.0 3.0
   34    33    46    48   0.15000  1.0 3.0
   38    33   -46    43   0.61850  1.0 1.0
   38    33   -46    43  -0.22750 -1.0 2.0
   38    33   -46    43   0.15300  1.0 3.0
   38    33    46    47   0.15000  1.0 3.0
   38    33    46    48   0.34400  1.0 1.0
   38    33    46    48   0.09450 -1.0 2.0
   38    33    46    48   0.11100  1.0 3.0
   38    39   -43    46  -2.26850  1.0 1.0
   38    39   -43    46   3.39050 -1.0 2.0
   38    39    44    45  -0.66100  1.0 1.0
   38    39    44    45   1.20850 -1.0 2.0
   38    39    44    45  -0.36000  1.0 3.0
   39    38    40    64   0.09850  1.0 1.0
   39    38    40    64   0.15250 -1.0 2.0
   39    38    40    64  -0.50650  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   0.00000  1.0 1.0
   39    43   -46    33  -0.46850  1.0 1.0
   39    43   -46    33   0.09300 -1.0 2.0
   39    43   -46    33  -0.12850  1.0 3.0
   39    43    46    47   0.08050  1.0 3.0
   39    43    46    48  -0.46850  1.0 1.0
   39    43    46    48   0.09300 -1.0 2.0
   39    43    46    48  -0.12850  1.0 3.0
   43    39    44    45   2.00000 -1.0 2.0
   43    46    48    49   0.23400  1.0 3.0
   43    46    48    50   0.23400  1.0 3.0
   43    46    48    51  -0.26800  1.0 1.0
   43    46    48    51   0.69150 -1.0 2.0
   43    46    48    51  -0.48750  1.0 3.0
   46    33   -38    39   0.09850  1.0 1.0
   46    33   -38    39   0.15250 -1.0 2.0
   46    33   -38    39  -0.50650  1.0 3.0
   46    33    38    40   0.46850  1.0 1.0
   46    33    38    40   0.08550 -1.0 2.0
   46    33    38    40   0.09800  1.0 3.0
   46    48    51    52   0.07850  1.0 1.0
   46    48    51    52  -0.03950 -1.0 2.0
   46    48    51    52   0.67350  1.0 3.0
   46    48    51    60   0.02550  1.0 1.0
   46    48    51    60  -0.02600 -1.0 2.0
   46    48    51    60   1.20400  1.0 3.0
   46    48    51    54   0.56750  1.0 1.0
   46    48    51    54  -0.07550 -1.0 2.0
   46    48    51    54   0.20000  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    51   0.15000  1.0 3.0
   48    51    52    53   0.15000  1.0 3.0
   48    51    52    58   0.56750  1.0 1.0
   48    51    52    58  -0.07550 -1.0 2.0
   48    51    52    58   0.20000  1.0 3.0
   48    51   -52    60   0.02550  1.0 1.0
   48    51   -52    60  -0.02600 -1.0 2.0
   48    51   -52    60   1.20400  1.0 3.0
   48    51   -60    52   0.06250  1.0 1.0
   48    51   -60    52  -0.01100 -1.0 2.0
   48    51   -60    52   0.28050  1.0 3.0
   48    51    54    55   0.15000  1.0 3.0
   48    51    54    56   0.15000  1.0 3.0
   48    51    54    57   0.15000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    60   0.23400  1.0 3.0
   49    48    51    54   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    60   0.23400  1.0 3.0
   50    48    51    54   0.15000  1.0 3.0
   51    52    58    59   0.15000  1.0 3.0
   51    52    58    61   0.07850  1.0 1.0
   51    52    58    61  -0.03950 -1.0 2.0
   51    52    58    61   0.67350  1.0 3.0
   51    52    58    72  -0.26800  1.0 1.0
   51    52    58    72   0.69150 -1.0 2.0
   51    52    58    72  -0.48750  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   52    58    61    62   0.15000  1.0 3.0
   52    58    61    63   0.34400  1.0 1.0
   52    58    61    63   0.09450 -1.0 2.0
   52    58    61    63   0.11100  1.0 3.0
   52    58    61    64   0.47050  1.0 1.0
   52    58    61    64   0.03900 -1.0 2.0
   52    58    61    64   0.20100  1.0 3.0
   52    58    72    66  -0.25900  1.0 1.0
   52    58    72    66  -0.47000 -1.0 2.0
   52    58    72    66   0.11750  1.0 3.0
   53    52    58    59   0.15000  1.0 3.0
   53    52    58    61   0.15000  1.0 3.0
   53    52    58    72   0.23400  1.0 3.0
   53    52   -60    51   0.36800  1.0 3.0
   58    52   -60    51   0.06250  1.0 1.0
   58    52   -60    51  -0.01100 -1.0 2.0
   58    52   -60    51   0.28050  1.0 3.0
   58    61   -63    66   0.09700  1.0 1.0
   58    61   -63    66   0.15600 -1.0 2.0
   58    61   -63    66  -0.50800  1.0 3.0
   58    61    63    68   0.09850  1.0 1.0
   58    61    63    68   0.15250 -1.0 2.0
   58    61    63    68  -0.50650  1.0 3.0
   58    61    64    65   0.15000  1.0 3.0
   58    61    64    40   0.56750  1.0 1.0
   58    61    64    40  -0.07550 -1.0 2.0
   58    61    64    40   0.20000  1.0 3.0
   58    61    64    71   0.62750  1.0 1.0
   58    61    64    71  -0.30950 -1.0 2.0
   58    61    64    71   0.27300  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    64   0.15000  1.0 3.0
   59    58    72    66   0.08050  1.0 3.0
   61    58   -72    66  -0.25900  1.0 1.0
   61    58   -72    66  -0.47000 -1.0 2.0
   61    58   -72    66   0.11750  1.0 3.0
   61    63    66    67  -0.64400  1.0 1.0
   61    63    66    67   0.26850 -1.0 2.0
   61    63   -66    72  -0.15000  1.0 1.0
   61    63   -66    72   0.89550 -1.0 2.0
   61    63   -66    72  -0.06900  1.0 3.0
   61    63    68    69   7.00000 -1.0 2.0
   61    63    68    70   7.00000 -1.0 2.0
   61    64    40    38   0.34400  1.0 1.0
   61    64    40    38   0.09450 -1.0 2.0
   61    64    40    38   0.11100  1.0 3.0
   61    64    40    41   0.15000  1.0 3.0
   61    64    40    42   0.15000  1.0 3.0
   61    64    71    73  -0.25900  1.0 1.0
   61    64    71    73  -0.47000 -1.0 2.0
   61    64    71    73   0.11750  1.0 3.0
   62    61    63    66   0.15000  1.0 3.0
   62    61    63    68   0.00000  1.0 1.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    40   0.15000  1.0 3.0
   62    61    64    71   0.23400  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    40   0.34400  1.0 1.0
   63    61    64    40   0.09450 -1.0 2.0
   63    61    64    40   0.11100  1.0 3.0
   63    61    64    71   0.61850  1.0 1.0
   63    61    64    71  -0.22750 -1.0 2.0
   63    61    64    71   0.15300  1.0 3.0
   63    66   -72    58   2.00000 -1.0 2.0
   66    63    68    69   7.00000 -1.0 2.0
   66    63    68    70   7.00000 -1.0 2.0
   67    66    72    58   3.00000 -1.0 2.0
   72    58    61    62   0.23400  1.0 3.0
   72    58   -61    63   0.61850  1.0 1.0
   72    58   -61    63  -0.22750 -1.0 2.0
   72    58   -61    63   0.15300  1.0 3.0
   72    58    61    64   0.62750  1.0 1.0
   72    58    61    64  -0.30950 -1.0 2.0
   72    58    61    64   0.27300  1.0 3.0
   68    63    66    67   1.00000 -1.0 2.0
   68    63    66    72  -0.56150  1.0 1.0
   68    63    66    72   2.19150 -1.0 2.0
   64    61    63    66   0.09700  1.0 1.0
   64    61    63    66   0.15600 -1.0 2.0
   64    61    63    66  -0.50800  1.0 3.0
   64    61    63    68   0.09850  1.0 1.0
   64    61    63    68   0.15250 -1.0 2.0
   64    61    63    68  -0.50650  1.0 3.0
   64    71    73    74   3.00000 -1.0 2.0
   64    71    73    75   2.00000 -1.0 2.0
   65    64    40    38   0.15000  1.0 3.0
   65    64    40    41   0.15000  1.0 3.0
   65    64    40    42   0.15000  1.0 3.0
   65    64    71    73   0.08050  1.0 3.0
   40    38    39    43   7.00000 -1.0 2.0
   40    38    39    44   7.00000 -1.0 2.0
   40    64    71    73  -0.25900  1.0 1.0
   40    64    71    73  -0.47000 -1.0 2.0
   40    64    71    73   0.11750  1.0 3.0
   71    64    40    38   0.61850  1.0 1.0
   71    64    40    38  -0.22750 -1.0 2.0
   71    64    40    38   0.15300  1.0 3.0
   71    64    40    41   0.23400  1.0 3.0
   71    64    40    42   0.23400  1.0 3.0
   71    73    75    76  -0.56150  1.0 1.0
   71    73    75    76   2.19150 -1.0 2.0
   71    73    75    79  -0.15000  1.0 1.0
   71    73    75    79   0.89550 -1.0 2.0
   71    73    75    79  -0.06900  1.0 3.0
   73    75    76    77   7.00000 -1.0 2.0
   73    75    76    78   7.00000 -1.0 2.0
   73    75    79    80   0.15000  1.0 3.0
   73    75    79    81   0.15000  1.0 3.0
   73    75    79    82   0.15000  1.0 3.0
   74    73    75    76   1.00000 -1.0 2.0
   74    73    75    79  -0.64400  1.0 1.0
   74    73    75    79   0.26850 -1.0 2.0
   76    75    79    80   0.00000  1.0 1.0
   76    75    79    81   0.00000  1.0 1.0
   76    75    79    82   0.00000  1.0 1.0
   79    75    76    77   7.00000 -1.0 2.0
   79    75    76    78   7.00000 -1.0 2.0
   60    51   -52    53   0.23400  1.0 3.0
   60    51   -52    58   0.02550  1.0 1.0
   60    51   -52    58  -0.02600 -1.0 2.0
   60    51   -52    58   1.20400  1.0 3.0
   60    51    54    55   0.23400  1.0 3.0
   60    51    54    56   0.23400  1.0 3.0
   60    51    54    57   0.23400  1.0 3.0
   60    52    58    59   0.23400  1.0 3.0
   60    52    58    61   0.02550  1.0 1.0
   60    52    58    61  -0.02600 -1.0 2.0
   60    52    58    61   1.20400  1.0 3.0
   60    52    58    72   1.11900  1.0 1.0
   60    52    58    72  -1.16350 -1.0 2.0
   60    52    58    72  -0.34150  1.0 3.0
   54    51    52    53   0.15000  1.0 3.0
   54    51    52    58   0.56750  1.0 1.0
   54    51    52    58  -0.07550 -1.0 2.0
   54    51    52    58   0.20000  1.0 3.0
   54    51   -52    60   0.02550  1.0 1.0
   54    51   -52    60  -0.02600 -1.0 2.0
   54    51   -52    60   1.20400  1.0 3.0
   54    51   -60    52   0.06250  1.0 1.0
   54    51   -60    52  -0.01100 -1.0 2.0
   54    51   -60    52   0.28050  1.0 3.0
   44    39    43    46   2.00000 -1.0 2.0
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
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39   1.10000 -1.0 2.0
   43    44    39    38   1.10000 -1.0 2.0
   61    66    63    68   1.10000 -1.0 2.0
   63    72    66    67  10.50000 -1.0 2.0
   69    70    68    63   1.10000 -1.0 2.0
   71    75    73    74  10.50000 -1.0 2.0
   73    79    75    76  15.00000 -1.0 2.0
   77    78    76    75  15.00000 -1.0 2.0
END
