* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    163    245     475
    1     0 S   NP   _N1_     1    29.74959    91.98383   -23.50560
    2     1 S   H    _HN1     2     1.02767     7.91140   -59.49087
    3     1 S   H    _H1_     3     1.03042   115.40473   -45.06321
    4     1 S   H    _H2_     4     1.03043   101.99293    71.23876
    5     1 S   CT   _CA1     5     1.49831   108.51888  -171.39819
    6     5 S   HC   _HA1     6     1.09579   105.16460    67.61028
    7     5 S   CO3  _C1_     7     1.53733   112.59285   -52.62806
    8     7 S   O2Z  _O11     8     1.26347   115.18091   -47.01224
    9     7 S   O2Z  _O12     9     1.26279   114.89253   132.15174
   10     5 S   CT   _CB1    10     1.52952   107.32828  -174.63527
   11    10 S   HC   HB11    11     1.09801   109.50113   -49.92965
   12    10 S   HC   HB12    12     1.09805   110.41947    66.46234
   13    10 S   CT   _CG1    13     1.52915   112.61947  -170.70466
   14    13 S   HC   HG11    14     1.09565   111.26171   -65.26920
   15    13 S   HC   HG12    15     1.09601   110.73261    54.06809
   16    13 S   C    _CD1    16     1.51313   110.04420   173.57355
   17    16 S   O    _OE1    17     1.22846   121.81500   -98.65953
   18    16 S   N    _N2_    18     1.38329   112.86875    79.97571
   19    18 S   H    _HN2    19     1.01555   119.28687     5.75251
   20    18 S   CT1  _CA2    20     1.45546   122.58702  -177.72316
   21    20 S   HC   _HA2    21     1.09568   108.48160    28.48339
   22    20 S   C    _C2_    22     1.52966   107.66669   -88.21167
   23    22 S   O    _O2_    23     1.22951   123.15512   -25.95087
   24    20 S   CT   _CB2    32     1.53172   112.36638   151.78432
   25    24 S   HC   HB21    33     1.09707   109.41075    63.14952
   26    24 S   HC   HB22    34     1.09513   111.17899   179.52729
   27    22 S   N    _N3_    24     1.38533   112.42259   156.85692
   28    27 S   H    _HN3    25     1.01650   120.33830    -2.53636
   29    24 S   S    _SG2    35     1.82856   115.20077   -56.06809
   30    27 S   CT   _CA3    26     1.45337   122.54166   178.51707
   31    30 S   HC   HA31    27     1.09564   107.86912   -54.75379
   32    30 S   HC   HA32    28     1.09559   107.57555    61.60731
   33    29 S   CT   _C20    36     1.84549   102.12974   -58.92134
   34    33 S   HC   _H7_    37     1.09425   106.57604    62.95316
   35    30 S   CO3  _C3_    29     1.52897   114.26250  -176.67828
   36    35 S   O2Z  _O31    30     1.26343   116.05335     0.33161
   37    35 S   O2Z  _O32    31     1.26429   114.41708  -179.71264
   38    33 S   CM   _C18    38     1.53970   108.29534  -178.89359
   39    33 S   CT   _C21    84     1.53084   112.64364   -54.30833
   40    39 S   HC   _H28    85     1.09555   112.41535   -52.13403
   41    39 S   HC   _H29    86     1.09629   110.54783  -172.63225
   42    39 S   HC   _H30    87     1.09450   111.49507    69.02776
   43    38 S   CMA  _C17    39     1.36781   122.59086  -105.27901
   44    43 S   OM   _O37    40     1.26869   125.56199     2.95168
   45    38 S   CT   _C19    80     1.51975   115.00480    76.04941
   46    45 S   HC   _H25    81     1.09436   111.15796   -44.80609
   47    45 S   HC   _H26    82     1.09310   113.57643  -163.98942
   48    45 S   HC   _H27    83     1.09475   110.08424    75.24637
   49    43 S   OS   _O36    41     1.41714   111.73560  -178.71306
   50    49 S   CT   _C14    42     1.43178   115.70673   136.80831
   51    50 S   HC   _H6_    43     1.09503   111.78174    41.50781
   52    50 S   CT   _C15    44     1.52547   109.86974   -83.78010
   53    52 S   HC   _H21    45     1.09648   110.42802   167.80267
   54    52 S   HC   _H22    46     1.09368   113.61300    45.53924
   55    52 S   CT   _C16    47     1.51718   102.95733   -74.56080
   56    55 S   HC   _H23    48     1.09451   111.82144    77.02110
   57    55 S   HC   _H24    49     1.09309   113.64063  -157.05106
   58    55 S   NP   _N4_    50     1.50923   103.56742   -39.67895
   59    58 S   H    _H4_    51     1.02931   108.00006   -96.01614
   60    58 S   CT   _C12    52     1.50893   115.98334   141.98369
   61    60 S   HC   _H19    53     1.09510   106.36349   137.33235
   62    60 S   HC   _H20    54     1.09346   110.16283    18.43421
   63    60 S   CT   _C11    55     1.51730   104.69412  -104.63616
   64    63 S   HC   _H17    56     1.09498   110.40639    85.31026
   65    63 S   HC   _H18    57     1.09451   111.58653  -155.09770
   66    63 S   CT   _C10    58     1.52350   103.45092   -34.26884
   67    66 S   HC   _H3_    59     1.10058   107.98394   -73.22659
   68    50 S   CT   _C13    60     1.53682   111.04293   163.55179
   69    68 S   HC   _H5_    61     1.09734   109.72845  -160.68814
   70    66 S   CT   _C9_    62     1.52403   113.79523   168.15172
   71    70 S   HC   _H15    63     1.09681   109.46407    69.83889
   72    70 S   HC   _H16    64     1.09447   111.88771   -49.80714
   73    70 S   OS   _O35    65     1.43475   108.75917  -171.18506
   74    73 S   CO4  _C8_    66     1.35747   115.26910   176.54515
   75    74 S   O    _O34    67     1.22136   127.49420     2.20416
   76    74 S   CM   _C6_    68     1.47935   108.47382  -177.34450
   77    76 S   CM   _C5_    69     1.34430   119.64673  -117.96320
   78    77 S   HC   _H11    70     1.08909   117.95787  -178.97798
   79    76 S   CT   _C7_    75     1.49870   116.92076    62.75915
   80    79 S   HC   _H12    76     1.09502   111.78246   -57.40597
   81    79 S   HC   _H13    77     1.09493   111.40688  -177.36433
   82    77 S   CT   _C4_    71     1.49606   127.81773     1.81111
   83    82 S   HC   _H8_    72     1.09426   109.77798  -114.84116
   84    82 S   HC   _H9_    73     1.09476   109.47277   126.61016
   85    82 S   HC   _H10    74     1.09269   113.55121     6.57897
   86    79 S   OH   _O33    78     1.42261   109.42478    64.08867
   87    86 S   HO   _H14    79     0.97691   107.70205   -95.33894
  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
  13   7   2   1   1  12   5   2   1   1  10   3   4   2   1   1
  10  16   8  11   6   5  11   5   4  12   7  10   6   5  10   5
   4   8   6   5   1   6   3   2   5   9   3  11   9   5   5   3
   2   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    52    68    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    54    55    58    66    68    69  
   51    52    53    54    55    56    57    58    59    60    63    66    67    68    69    70  
   52    53    54    55    58    66    68    69  
   53    54    55    56    57    58    59    60    66    68    69  
   54    55    56    57    58    68  
   55    56    57    58    68  
   56    57    58    59    60    61    62    63    66    68    69  
   57    58    59    60    68  
   58    59    60    68  
   59    60    61    62    63    64    65    66    67    68    69    70  
   60    61    62    63    66    68    69  
   61    62    63    64    65    66    67    68    69    70  
   62    63    64    65    66    68  
   63    64    65    66    68  
   64    65    66    67    68    69    70    71    72    73  
   65    66    67    68    70  
   66    67    68    70  
   67    68    69    70    71    72    73    74  
   68    69    70    71    72    73  
   69    70    71    72    73  
   70  
   71    72    73    74    75    76  
   72    73    74  
   73    74  
   74    75    76    77    79  
   75    76    77    78    82    79    80    81    86  
   76    77    79  
   77    78    82    83    84    85    79    80    81    86    87  
   78    82    83    84    85    79    80    81    86  
   82    83    84    85    79  
   80    81    86    87    82  
   81    86    87  
   86    87  
   83    84    85  
   84    85  
   85  
    0  
   87  
    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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   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   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.394400   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   59   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.014400   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   72   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5500   0.0760  -0.115000   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   0.145000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    68   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   367.000  1.471
   58    59   434.000  1.010
   58    60   367.000  1.471
   58    68   367.000  1.471
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    70   268.000  1.529
   68    69   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   320.000  1.410
   73    74   214.000  1.327
   74    75   570.000  1.229
   74    76   320.000  1.462
   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    84   340.000  1.090
   82    85   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    86   320.000  1.410
   86    87   553.000  0.945
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    68    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    55    58.35000  112.70000
   50    68    58    80.00000  111.20000
   50    68    66    58.35000  112.70000
   50    68    69    37.50000  110.70000
   52    50    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    80.00000  111.20000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    58    59    35.00000  109.50000
   55    58    60    75.00000  113.01200
   55    58    68    75.00000  113.01200
   57    55    56    33.00000  107.80000
   58    55    56    35.00000  109.50000
   58    55    57    35.00000  109.50000
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    63    80.00000  111.20000
   58    68    66    80.00000  111.20000
   58    68    69    35.00000  109.50000
   60    58    59    35.00000  109.50000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    68    58.35000  112.70000
   63    66    70    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    68    69    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    72    37.50000  110.70000
   66    70    73    50.00000  109.50000
   68    50    51    37.50000  110.70000
   68    50    52    58.35000  112.70000
   68    58    59    35.00000  109.50000
   68    58    60    75.00000  113.01200
   68    66    67    37.50000  110.70000
   70    66    67    37.50000  110.70000
   70    66    68    58.35000  112.70000
   70    73    74    83.00000  116.90000
   72    70    71    33.00000  107.80000
   73    70    71    35.00000  109.50000
   73    70    72    35.00000  109.50000
   73    74    75    83.00000  123.40000
   73    74    76    90.00000  111.29400
   74    76    77    65.00000  118.96000
   74    76    79    65.00000  116.34900
   76    74    75    80.00000  123.72100
   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    86    90.00000  110.39200
   77    82    83    35.00000  109.50000
   77    82    84    35.00000  109.50000
   77    82    85    35.00000  109.50000
   82    77    78    35.00000  117.00000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   79    76    77    70.00000  124.00000
   79    86    87    55.00000  108.50000
   81    79    80    33.00000  107.80000
   86    79    80    35.00000  109.50000
   86    79    81    35.00000  109.50000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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  -0.62250  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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    49    50  -2.26850  1.0 1.0
   38    43    49    50   3.39050 -1.0 2.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    48   0.00000  1.0 1.0
   43    49    50    51   0.08050  1.0 3.0
   43    49    50    52  -0.46850  1.0 1.0
   43    49    50    52   0.09300 -1.0 2.0
   43    49    50    52  -0.12850  1.0 3.0
   43    49    50    68  -0.46850  1.0 1.0
   43    49    50    68   0.09300 -1.0 2.0
   43    49    50    68  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    54   0.23400  1.0 3.0
   49    50    52    55   0.62750  1.0 1.0
   49    50    52    55  -0.30950 -1.0 2.0
   49    50    52    55   0.27300  1.0 3.0
   49    50    68    58   1.69300  1.0 1.0
   49    50    68    58  -0.48450 -1.0 2.0
   49    50    68    66   0.62750  1.0 1.0
   49    50    68    66  -0.30950 -1.0 2.0
   49    50    68    66   0.27300  1.0 3.0
   49    50    68    69   0.23400  1.0 3.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    57   0.15000  1.0 3.0
   50    52   -55    58   1.36600  1.0 1.0
   50    52   -55    58  -0.11450 -1.0 2.0
   50    52   -55    58   0.24250  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    68    58   0.19200  1.0 3.0
   51    50    68    66   0.15000  1.0 3.0
   51    50    68    69   0.15000  1.0 3.0
   52    50   -68    58   1.36600  1.0 1.0
   52    50   -68    58  -0.11450 -1.0 2.0
   52    50   -68    58   0.24250  1.0 3.0
   52    50    68    66   0.56750  1.0 1.0
   52    50    68    66  -0.07550 -1.0 2.0
   52    50    68    66   0.20000  1.0 3.0
   52    50    68    69   0.15000  1.0 3.0
   52    55    58    59   0.17350  1.0 3.0
   52    55    58    60   0.47100  1.0 1.0
   52    55   -58    68   0.47100  1.0 1.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    58   0.19200  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    58   0.19200  1.0 3.0
   55    58    60    61   0.15000  1.0 3.0
   55    58    60    62   0.15000  1.0 3.0
   55    58    60    63   0.47100  1.0 1.0
   55    58   -68    50   0.47100  1.0 1.0
   55    58    68    66   0.47100  1.0 1.0
   55    58    68    69   0.15000  1.0 3.0
   56    55    58    59   0.13050  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    68   0.15000  1.0 3.0
   57    55    58    59   0.13050  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    68   0.15000  1.0 3.0
   58    60    63    64   0.19200  1.0 3.0
   58    60    63    65   0.19200  1.0 3.0
   58    60   -63    66   1.36600  1.0 1.0
   58    60   -63    66  -0.11450 -1.0 2.0
   58    60   -63    66   0.24250  1.0 3.0
   59    58    60    61   0.13050  1.0 3.0
   59    58    60    62   0.13050  1.0 3.0
   59    58    60    63   0.17350  1.0 3.0
   59    58    68    50   0.17350  1.0 3.0
   59    58    68    66   0.17350  1.0 3.0
   59    58    68    69   0.13050  1.0 3.0
   60    58    68    50   0.47100  1.0 1.0
   60    58   -68    66   0.47100  1.0 1.0
   60    58    68    69   0.15000  1.0 3.0
   60    63    66    67   0.15000  1.0 3.0
   60    63   -66    68   0.56750  1.0 1.0
   60    63   -66    68  -0.07550 -1.0 2.0
   60    63   -66    68   0.20000  1.0 3.0
   60    63    66    70   0.56750  1.0 1.0
   60    63    66    70  -0.07550 -1.0 2.0
   60    63    66    70   0.20000  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    66   0.15000  1.0 3.0
   63    66    68    50   0.56750  1.0 1.0
   63    66    68    50  -0.07550 -1.0 2.0
   63    66    68    50   0.20000  1.0 3.0
   63    66   -68    58   1.36600  1.0 1.0
   63    66   -68    58  -0.11450 -1.0 2.0
   63    66   -68    58   0.24250  1.0 3.0
   63    66    68    69   0.15000  1.0 3.0
   63    66    70    71   0.15000  1.0 3.0
   63    66    70    72   0.15000  1.0 3.0
   63    66    70    73   0.62750  1.0 1.0
   63    66    70    73  -0.30950 -1.0 2.0
   63    66    70    73   0.27300  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    70   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    70   0.15000  1.0 3.0
   66    70    73    74  -0.25900  1.0 1.0
   66    70    73    74  -0.47000 -1.0 2.0
   66    70    73    74   0.11750  1.0 3.0
   67    66    68    50   0.15000  1.0 3.0
   67    66    68    58   0.19200  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    72   0.15000  1.0 3.0
   67    66    70    73   0.23400  1.0 3.0
   68    50    52    53   0.15000  1.0 3.0
   68    50    52    54   0.15000  1.0 3.0
   68    50   -52    55   0.56750  1.0 1.0
   68    50   -52    55  -0.07550 -1.0 2.0
   68    50   -52    55   0.20000  1.0 3.0
   68    58    60    61   0.15000  1.0 3.0
   68    58    60    62   0.15000  1.0 3.0
   68    58   -60    63   0.47100  1.0 1.0
   68    66    70    71   0.15000  1.0 3.0
   68    66    70    72   0.15000  1.0 3.0
   68    66    70    73   0.62750  1.0 1.0
   68    66    70    73  -0.30950 -1.0 2.0
   68    66    70    73   0.27300  1.0 3.0
   70    66    68    50   0.56750  1.0 1.0
   70    66    68    50  -0.07550 -1.0 2.0
   70    66    68    50   0.20000  1.0 3.0
   70    66    68    58   1.36600  1.0 1.0
   70    66    68    58  -0.11450 -1.0 2.0
   70    66    68    58   0.24250  1.0 3.0
   70    66    68    69   0.15000  1.0 3.0
   70    73    74    75   3.00000 -1.0 2.0
   70    73    74    76   2.00000 -1.0 2.0
   71    70    73    74   0.08050  1.0 3.0
   72    70    73    74   0.08050  1.0 3.0
   73    74    76    77  -0.56150  1.0 1.0
   73    74    76    77   2.19150 -1.0 2.0
   73    74    76    79  -0.15000  1.0 1.0
   73    74    76    79   0.89550 -1.0 2.0
   73    74    76    79  -0.06900  1.0 3.0
   74    76    77    78   7.00000 -1.0 2.0
   74    76    77    82   7.00000 -1.0 2.0
   74    76    79    80   0.15000  1.0 3.0
   74    76    79    81   0.15000  1.0 3.0
   74    76    79    86   0.09700  1.0 1.0
   74    76    79    86   0.15600 -1.0 2.0
   74    76    79    86  -0.50800  1.0 3.0
   75    74    76    77   1.00000 -1.0 2.0
   75    74    76    79  -0.64400  1.0 1.0
   75    74    76    79   0.26850 -1.0 2.0
   76    77    82    83   0.00000  1.0 1.0
   76    77    82    84   0.00000  1.0 1.0
   76    77    82    85   0.00000  1.0 1.0
   76    79    86    87  -0.07800  1.0 1.0
   76    79    86    87  -0.21500 -1.0 2.0
   76    79    86    87  -0.03150  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    86   0.67800  1.0 1.0
   77    76    79    86   0.47050 -1.0 2.0
   77    76    79    86  -0.62500  1.0 3.0
   78    77    82    83   0.33100  1.0 3.0
   78    77    82    84   0.33100  1.0 3.0
   78    77    82    85   0.33100  1.0 3.0
   79    76    77    78   7.00000 -1.0 2.0
   79    76    77    82   7.00000 -1.0 2.0
   80    79    86    87   0.19450  1.0 3.0
   81    79    86    87   0.19450  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  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
   33    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   73    76    74    75  10.50000 -1.0 2.0
   74    79    76    77  15.00000 -1.0 2.0
   82    78    77    76  15.00000 -1.0 2.0
END
