* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    155    240     452
    1     0 S   NP   _N1_     1    28.61651    96.07863   -23.22643
    2     1 S   H    _HN1     2     1.02949    76.52792     4.70578
    3     1 S   H    _H1_     3     1.02828    34.39211   156.89622
    4     1 S   H    _H2_     4     1.02786   103.64493  -101.27238
    5     1 S   CT   _CA1     5     1.50113   138.05197   110.35231
    6     5 S   HC   _HA1     6     1.09572   105.19172    85.24775
    7     5 S   CO3  _C1_     7     1.53788   112.47386   -34.98566
    8     7 S   O2Z  _O11     8     1.26372   115.00685   -42.24495
    9     7 S   O2Z  _O12     9     1.26240   114.94899   136.88532
   10     5 S   CT   _CB1    10     1.53077   107.42033  -156.76197
   11    10 S   HC   HB11    11     1.09833   109.37418   -49.62803
   12    10 S   HC   HB12    12     1.09812   110.44608    66.98299
   13    10 S   CT   _CG1    13     1.52990   112.60574  -170.60125
   14    13 S   HC   HG11    14     1.09580   110.63704   -65.74411
   15    13 S   HC   HG12    15     1.09670   109.77972    53.48832
   16    13 S   C    _CD1    16     1.51799   112.21911   173.94761
   17    16 S   O    _OE1    17     1.22730   123.28448     7.25063
   18    16 S   N    _N2_    18     1.38656   111.67536  -172.83801
   19    18 S   H    _HN2    19     1.01577   118.92930     1.78400
   20    18 S   CT1  _CA2    20     1.46190   123.38904   177.44120
   21    20 S   HC   _HA2    21     1.09735   109.36994     3.40715
   22    20 S   C    _C2_    22     1.53566   108.62825  -112.10548
   23    22 S   O    _O2_    23     1.23064   122.25970  -147.76498
   24    20 S   CT   _CB2    32     1.53350   111.61624   125.45064
   25    24 S   HC   HB21    33     1.09485   109.83715    56.10191
   26    24 S   HC   HB22    34     1.09502   110.02804   175.29156
   27    22 S   N    _N3_    24     1.38324   113.72875    39.65494
   28    27 S   H    _HN3    25     1.01579   119.58922    -3.23295
   29    24 S   S    _SG2    35     1.82660   111.52085   -64.68116
   30    27 S   CT   _CA3    26     1.45285   123.22510   177.17008
   31    30 S   HC   HA31    27     1.09549   107.50425   -64.77744
   32    30 S   HC   HA32    28     1.09556   107.99443    51.66518
   33    29 S   CT   _C9_    36     1.86429   100.20118  -170.74010
   34    33 S   HC   _H4_    37     1.08677   102.40170    49.71326
   35    30 S   CO3  _C3_    29     1.52965   114.07316   173.66782
   36    35 S   O2Z  _O31    30     1.26377   116.06848    -0.66264
   37    35 S   O2Z  _O32    31     1.26428   114.41281   179.39899
   38    33 S   CT   _C10    38     1.55535   109.49298   -68.74100
   39    38 S   HC   _H13    39     1.09746   110.77107   -13.02340
   40    38 S   HC   _H14    40     1.09460   110.53624  -128.48532
   41    33 S   CT   _C8_    63     1.57098   110.90738   163.48808
   42    38 S   CT   _C11    41     1.54512   114.77176   108.93510
   43    42 S   HC   _H15    42     1.09690   108.73728  -170.36312
   44    42 S   HC   _H16    43     1.09565   110.06215   -54.47805
   45    41 S   CT   _C20    64     1.54482   111.65631    62.47518
   46    45 S   HC   _H22    65     1.09437   112.06612   -60.92692
   47    45 S   HC   _H23    66     1.09702   110.63887  -177.80750
   48    45 S   HC   _H24    67     1.09374   112.19096    61.68561
   49    41 S   OH   _O38    68     1.43552   108.16769   -55.28454
   50    49 S   HO   _H25    69     0.97278   108.18621   171.39858
   51    42 S   C3T  _C12    44     1.50578   111.97644    69.28403
   52    51 S   C3T  _C13    45     1.52180   114.77916   -85.68093
   53    52 S   HC   _H5_    46     1.08345   121.05691    -7.93496
   54    51 S   CT   _C19    78     1.50375   116.78878    77.96033
   55    54 S   HC   _H19    79     1.09347   112.67534  -177.84097
   56    54 S   HC   _H20    80     1.09589   109.59329    63.06399
   57    54 S   HC   _H21    81     1.09232   112.04083   -55.80384
   58    52 S   CT   _C14    47     1.48824   122.27190   144.95033
   59    58 S   HC   _H6_    48     1.09345   112.47215    20.13275
   60    51 S   O3T  _O35    77     1.44227   117.05382  -150.23942
   61    58 S   CT   _C15    49     1.54102   110.93646  -106.84937
   62    61 S   HC   _H7_    50     1.09709   110.64276   -28.99450
   63    61 S   CM   _C16    51     1.50039    99.88946  -140.59348
   64    61 S   CT   _C6_    58     1.54459   116.17545    95.53477
   65    64 S   HC   _H3_    59     1.09667   108.32143   170.12245
   66    63 S   CO4  _C18    52     1.47513   109.41026    19.33346
   67    66 S   O    _O36    53     1.21766   127.03741   171.08070
   68    63 S   CM   _C17    55     1.33700   130.03734  -159.91643
   69    68 S   HC   _H17    56     1.08424   121.55253    -0.94128
   70    68 S   HC   _H18    57     1.08559   121.66031   179.50782
   71    64 S   CT   _C7_    60     1.54659   117.65449   -67.31651
   72    71 S   HC   _H11    61     1.08754   109.67543    65.09516
   73    71 S   HC   _H12    62     1.10013   104.96132   174.36288
   74    64 S   OS   _O34    70     1.45618   107.19421    52.96580
   75    58 S   OS   _O37    54     1.44155   107.59390   137.31522
   76    74 S   CO4  _C5_    71     1.36263   118.00474   143.71530
   77    76 S   O    _O33    72     1.22299   126.44039     0.76719
   78    76 S   CT   _C4_    73     1.49822   109.43843  -179.32565
   79    78 S   HC   _H8_    74     1.09290   109.82031   -61.17934
   80    78 S   HC   _H9_    75     1.09376   109.36867   179.74512
   81    78 S   HC   _H10    76     1.09294   109.81352    60.71375
  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  10   5   4   3
  19   8   2   1   1  13   6   5  14  11   5   4   9   4   3   2
   5   1  11  14   6   5   3   2   1  13   7   2  15   8  10  11
   5   5   2   3   1   1   4   2   1   6   1   5   4   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    71    41    45    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    44    51    64    71    72    73    41    45    46    47    48    49    50  
   38    39    40    42    71    41    45    49  
   36    37  
   37  
    0  
   39    40    42    43    44    51    52    71    41    45    49    60    54  
   40    42    43    44    51    41  
   42    43    44    51    41  
   45    46    47    48    49    50    74    42    61    64    65    71    72    73  
   43    44    51    52    53    58    60    54    55    56    57  
   44    51    52    60    54  
   51    52    60    54  
   46    47    48    49    50    64    71    72    73  
   47    48    49    71  
   48    49    71  
   49    71  
   50    64    71    72    73  
   71  
   52    53    58    59    61    75    60    54    55    56    57  
   53    58    59    61    62    63    66    75    64    60    54    55    56    57  
   58    59    61    75    60    54  
   55    56    57    58    60  
   56    57    60  
   57    60  
   60  
   59    61    62    63    66    67    75    68    64    65    71    74    60  
   61    62    63    66    75    64    60  
   61    75  
   62    63    66    67    75    68    69    70    64    65    71    72    73    74    76  
   63    66    75    68    64    65    71    74  
   66    67    75    68    69    70    64    65    71    74  
   65    71    72    73    74    76    77    78    66    68    75  
   71    72    73    74    76  
   67    75    68    69    70  
   75    68  
   69    70    75  
   70  
    0  
   72    73    74    76  
   73    74  
   74  
   76    77    78    79    80    81  
    0  
   77    78    79    80    81  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    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   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.3810   1.2100   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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    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    75   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    75   214.000  1.327
   68    69   340.000  1.080
   68    70   340.000  1.080
   64    65   340.000  1.090
   64    71   268.000  1.529
   64    74   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    41   268.000  1.529
   41    45   268.000  1.529
   41    49   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   49    50   553.000  0.945
   74    76   214.000  1.327
   76    77   570.000  1.229
   76    78   317.000  1.522
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    41    71    58.35000  112.70000
   33    41    45    58.35000  112.70000
   33    41    49    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    51    70.00000  112.37300
   40    38    39    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    37.50000  110.70000
   42    51    52    60.00000  120.94000
   42    51    60    80.00000  116.47100
   42    51    54    58.35000  112.70000
   44    42    43    33.00000  107.80000
   51    42    43    45.00000  109.38400
   51    42    44    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    75    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    75    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    71    58.35000  112.70000
   61    64    74    50.00000  109.50000
   63    61    62    35.00000  109.50000
   63    66    67    80.00000  123.72100
   63    66    75    90.00000  111.29400
   63    68    69    35.00000  120.00000
   63    68    70    35.00000  120.00000
   75    58    59    35.00000  109.50000
   75    58    61    50.00000  109.50000
   75    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    71    72    37.50000  110.70000
   64    71    73    37.50000  110.70000
   64    71    41    58.35000  112.70000
   64    74    76    83.00000  116.90000
   71    64    65    37.50000  110.70000
   71    41    45    58.35000  112.70000
   71    41    49    50.00000  109.50000
   73    71    72    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    71    72    37.50000  110.70000
   41    71    73    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   41    49    50    55.00000  108.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   49    41    45    50.00000  109.50000
   74    64    65    35.00000  109.50000
   74    64    71    50.00000  109.50000
   74    76    77    83.00000  123.40000
   74    76    78    81.00000  111.40000
   76    78    79    35.00000  109.50000
   76    78    80    35.00000  109.50000
   76    78    81    35.00000  109.50000
   78    76    77    80.00000  120.40000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    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
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   0.01700  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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    41    71   0.44750  1.0 1.0
   29    33    41    71  -0.17800 -1.0 2.0
   29    33    41    71   0.20200  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   29    33    41    49   0.56750  1.0 1.0
   29    33    41    49  -0.07550 -1.0 2.0
   29    33    41    49   0.20000  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    51   0.47050  1.0 1.0
   33    38    42    51   0.03900 -1.0 2.0
   33    38    42    51   0.20100  1.0 3.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    47   0.15000  1.0 3.0
   33    41    45    48   0.15000  1.0 3.0
   33    41    49    50  -0.11600  1.0 1.0
   33    41    49    50  -0.09450 -1.0 2.0
   33    41    49    50   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    41    71   0.15000  1.0 3.0
   34    33    41    45   0.15000  1.0 3.0
   34    33    41    49   0.23400  1.0 3.0
   38    33    41    71   0.56750  1.0 1.0
   38    33    41    71  -0.07550 -1.0 2.0
   38    33    41    71   0.20000  1.0 3.0
   38    33    41    45   0.56750  1.0 1.0
   38    33    41    45  -0.07550 -1.0 2.0
   38    33    41    45   0.20000  1.0 3.0
   38    33    41    49   0.86500  1.0 1.0
   38    33    41    49  -0.17500 -1.0 2.0
   38    33    41    49   0.20800  1.0 3.0
   38    42    51    52   0.07850  1.0 1.0
   38    42    51    52  -0.03950 -1.0 2.0
   38    42    51    52   0.67350  1.0 3.0
   38    42    51    60   0.02550  1.0 1.0
   38    42    51    60  -0.02600 -1.0 2.0
   38    42    51    60   1.20400  1.0 3.0
   38    42    51    54   0.56750  1.0 1.0
   38    42    51    54  -0.07550 -1.0 2.0
   38    42    51    54   0.20000  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    51   0.15000  1.0 3.0
   40    38    42    43   0.15000  1.0 3.0
   40    38    42    44   0.15000  1.0 3.0
   40    38    42    51   0.15000  1.0 3.0
   42    51    52    53   0.15000  1.0 3.0
   42    51    52    58   0.56750  1.0 1.0
   42    51    52    58  -0.07550 -1.0 2.0
   42    51    52    58   0.20000  1.0 3.0
   42    51   -52    60   0.02550  1.0 1.0
   42    51   -52    60  -0.02600 -1.0 2.0
   42    51   -52    60   1.20400  1.0 3.0
   42    51   -60    52   0.06250  1.0 1.0
   42    51   -60    52  -0.01100 -1.0 2.0
   42    51   -60    52   0.28050  1.0 3.0
   42    51    54    55   0.15000  1.0 3.0
   42    51    54    56   0.15000  1.0 3.0
   42    51    54    57   0.15000  1.0 3.0
   43    42    51    52   0.15000  1.0 3.0
   43    42    51    60   0.23400  1.0 3.0
   43    42    51    54   0.15000  1.0 3.0
   44    42    51    52   0.15000  1.0 3.0
   44    42    51    60   0.23400  1.0 3.0
   44    42    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    75  -0.26800  1.0 1.0
   51    52    58    75   0.69150 -1.0 2.0
   51    52    58    75  -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    75    66  -0.25900  1.0 1.0
   52    58    75    66  -0.47000 -1.0 2.0
   52    58    75    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    75   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    71   0.56750  1.0 1.0
   58    61    64    71  -0.07550 -1.0 2.0
   58    61    64    71   0.20000  1.0 3.0
   58    61    64    74   0.62750  1.0 1.0
   58    61    64    74  -0.30950 -1.0 2.0
   58    61    64    74   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    75    66   0.08050  1.0 3.0
   61    58   -75    66  -0.25900  1.0 1.0
   61    58   -75    66  -0.47000 -1.0 2.0
   61    58   -75    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    75  -0.15000  1.0 1.0
   61    63   -66    75   0.89550 -1.0 2.0
   61    63   -66    75  -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    71    72   0.15000  1.0 3.0
   61    64    71    73   0.15000  1.0 3.0
   61    64    71    41   0.56750  1.0 1.0
   61    64    71    41  -0.07550 -1.0 2.0
   61    64    71    41   0.20000  1.0 3.0
   61    64    74    76  -0.25900  1.0 1.0
   61    64    74    76  -0.47000 -1.0 2.0
   61    64    74    76   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    71   0.15000  1.0 3.0
   62    61    64    74   0.23400  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    71   0.34400  1.0 1.0
   63    61    64    71   0.09450 -1.0 2.0
   63    61    64    71   0.11100  1.0 3.0
   63    61    64    74   0.61850  1.0 1.0
   63    61    64    74  -0.22750 -1.0 2.0
   63    61    64    74   0.15300  1.0 3.0
   63    66   -75    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    75    58   3.00000 -1.0 2.0
   75    58    61    62   0.23400  1.0 3.0
   75    58   -61    63   0.61850  1.0 1.0
   75    58   -61    63  -0.22750 -1.0 2.0
   75    58   -61    63   0.15300  1.0 3.0
   75    58    61    64   0.62750  1.0 1.0
   75    58    61    64  -0.30950 -1.0 2.0
   75    58    61    64   0.27300  1.0 3.0
   68    63    66    67   1.00000 -1.0 2.0
   68    63    66    75  -0.56150  1.0 1.0
   68    63    66    75   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    41    33   0.56750  1.0 1.0
   64    71    41    33  -0.07550 -1.0 2.0
   64    71    41    33   0.20000  1.0 3.0
   64    71    41    45   0.56750  1.0 1.0
   64    71    41    45  -0.07550 -1.0 2.0
   64    71    41    45   0.20000  1.0 3.0
   64    71    41    49   0.86500  1.0 1.0
   64    71    41    49  -0.17500 -1.0 2.0
   64    71    41    49   0.20800  1.0 3.0
   64    74    76    77   3.00000 -1.0 2.0
   64    74    76    78   1.63150  1.0 1.0
   64    74    76    78   2.92000 -1.0 2.0
   65    64    71    72   0.15000  1.0 3.0
   65    64    71    73   0.15000  1.0 3.0
   65    64    71    41   0.15000  1.0 3.0
   65    64    74    76   0.08050  1.0 3.0
   71    64    74    76  -0.25900  1.0 1.0
   71    64    74    76  -0.47000 -1.0 2.0
   71    64    74    76   0.11750  1.0 3.0
   71    41    45    46   0.15000  1.0 3.0
   71    41    45    47   0.15000  1.0 3.0
   71    41    45    48   0.15000  1.0 3.0
   71    41    49    50  -0.11600  1.0 1.0
   71    41    49    50  -0.09450 -1.0 2.0
   71    41    49    50   0.21250  1.0 3.0
   72    71    41    33   0.15000  1.0 3.0
   72    71    41    45   0.15000  1.0 3.0
   72    71    41    49   0.23400  1.0 3.0
   73    71    41    33   0.15000  1.0 3.0
   73    71    41    45   0.15000  1.0 3.0
   73    71    41    49   0.23400  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.56750  1.0 1.0
   41    33    38    42  -0.07550 -1.0 2.0
   41    33    38    42   0.20000  1.0 3.0
   45    41    49    50  -0.11600  1.0 1.0
   45    41    49    50  -0.09450 -1.0 2.0
   45    41    49    50   0.21250  1.0 3.0
   49    41    45    46   0.23400  1.0 3.0
   49    41    45    47   0.23400  1.0 3.0
   49    41    45    48   0.23400  1.0 3.0
   74    64    71    72   0.23400  1.0 3.0
   74    64    71    73   0.23400  1.0 3.0
   74    64    71    41   0.62750  1.0 1.0
   74    64    71    41  -0.30950 -1.0 2.0
   74    64    71    41   0.27300  1.0 3.0
   74    76    78    79   0.00000  1.0 1.0
   74    76    78    80   0.00000  1.0 1.0
   74    76    78    81   0.00000  1.0 1.0
   77    76    78    79   0.00000  1.0 1.0
   77    76    78    80   0.00000  1.0 1.0
   77    76    78    81   0.00000  1.0 1.0
   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    75   1.11900  1.0 1.0
   60    52    58    75  -1.16350 -1.0 2.0
   60    52    58    75  -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
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
   61    66    63    68   1.10000 -1.0 2.0
   63    75    66    67  10.50000 -1.0 2.0
   69    70    68    63   1.10000 -1.0 2.0
   74    78    76    77  10.50000 -1.0 2.0
END
