* LIGAND DATABASE FILE (OPLS2005)
*
001      92    93    169    249     491
    1     0 S   NP   _N1_     1    28.86740    94.93463   -24.50552
    2     1 S   H    _HN1     2     1.02949    79.69634    12.86374
    3     1 S   H    _H1_     3     1.02827    27.95481  -178.85568
    4     1 S   H    _H2_     4     1.02787   112.47694   -92.88467
    5     1 S   CT   _CA1     5     1.50112   127.50492   120.75042
    6     5 S   HC   _HA1     6     1.09572   105.19079    85.05951
    7     5 S   CO3  _C1_     7     1.53787   112.49373   -35.17966
    8     7 S   O2Z  _O11     8     1.26373   115.00792   -41.90960
    9     7 S   O2Z  _O12     9     1.26242   114.94916   137.23795
   10     5 S   CT   _CB1    10     1.53073   107.42124  -156.94000
   11    10 S   HC   HB11    11     1.09834   109.37224   -49.57212
   12    10 S   HC   HB12    12     1.09812   110.44432    67.03967
   13    10 S   CT   _CG1    13     1.52991   112.60951  -170.54098
   14    13 S   HC   HG11    14     1.09580   110.64677   -65.86080
   15    13 S   HC   HG12    15     1.09670   109.77094    53.37720
   16    13 S   C    _CD1    16     1.51797   112.20584   173.84578
   17    16 S   O    _OE1    17     1.22727   123.24105     7.61231
   18    16 S   N    _N2_    18     1.38637   111.65536  -172.43763
   19    18 S   H    _HN2    19     1.01568   118.92059     1.85330
   20    18 S   CT1  _CA2    20     1.46277   123.48148   177.60772
   21    20 S   HC   _HA2    21     1.09645   109.13577     4.57213
   22    20 S   C    _C2_    22     1.53596   108.71504  -110.87548
   23    22 S   O    _O2_    23     1.23070   122.39258  -147.16620
   24    20 S   CT   _CB2    32     1.53430   111.28842   126.73128
   25    24 S   HC   HB21    33     1.09315   109.25338    53.82387
   26    24 S   HC   HB22    34     1.09368   110.14273   172.41351
   27    22 S   N    _N3_    24     1.38352   113.68822    40.15168
   28    27 S   H    _HN3    25     1.01567   119.58230    -2.79813
   29    24 S   S    _SG2    35     1.83137   110.91649   -67.94808
   30    27 S   CT   _CA3    26     1.45277   123.21086   177.19893
   31    30 S   HC   HA31    27     1.09548   107.45575   -66.07116
   32    30 S   HC   HA32    28     1.09557   108.04924    50.37415
   33    29 S   CT   _C25    36     1.88112   102.18374   170.24744
   34    30 S   CO3  _C3_    29     1.52961   114.09111   172.43159
   35    34 S   O2Z  _O31    30     1.26376   116.09494    -0.33043
   36    34 S   O2Z  _O32    31     1.26435   114.41109   179.74821
   37    33 S   CO4  _C12    37     1.54477   106.82462    49.76830
   38    37 S   O    _O26    38     1.22685   123.75978  -115.53969
   39    33 S   CT   _C23    82     1.54656   107.03018   -68.17704
   40    39 S   HC   _H55    83     1.09533   112.24124   -54.91176
   41    39 S   HC   _H56    84     1.09613   111.36670  -175.53990
   42    39 S   HC   _H57    85     1.09470   112.54127    66.57706
   43    33 S   CT   _C24    86     1.58617   108.83642   169.64168
   44    43 S   OM   _O23    87     1.32711   109.33427  -178.47248
   45    43 S   HC   _H58    88     1.10035   106.03167   -50.46975
   46    37 S   OS   _O29    39     1.36970   111.56596    63.00883
   47    43 S   CT   _C22    89     1.54787   113.60408    63.70156
   48    47 S   HC   _H52    90     1.09710   112.98240    61.76853
   49    47 S   HC   _H53    91     1.09854   110.93689  -178.04495
   50    47 S   HC   _H54    92     1.09461   111.60120   -59.59876
   51    46 S   CT   _C18    40     1.44662   117.84652  -177.15579
   52    51 S   HC   _H42    41     1.09986   107.09109    32.60313
   53    51 S   CT   _C14    42     1.55999   110.71819   -80.48997
   54    53 S   HC   _H37    43     1.09834   107.57822   157.06677
   55    53 S   HC   _H38    44     1.09795   109.26796    43.35025
   56    51 S   CT   _C17    58     1.56298   111.01021   148.56499
   57    56 S   HC   _H41    59     1.09573   109.00662   159.78137
   58    53 S   CM   _C6_    45     1.51551   117.83748   -80.42836
   59    56 S   CM   _C8_    60     1.50288   109.42029   -81.00450
   60    58 S   CM   _C4_    46     1.34916   119.97946    77.17079
   61    60 S   HC   _H31    47     1.08832   118.03697     3.47136
   62    59 S   CO4  _C9_    61     1.47594   109.70594   101.94580
   63    62 S   O    _O24    62     1.21684   127.14117  -170.06180
   64    59 S   CM   _C10    64     1.33606   128.32865   -80.24278
   65    64 S   HC   _H33    65     1.08486   120.78148     1.28755
   66    64 S   HC   _H34    66     1.08532   121.71026  -179.08507
   67    58 S   CT   _C19    78     1.50503   115.20198  -101.05322
   68    67 S   HC   _H43    79     1.09555   109.89306   -54.33467
   69    67 S   HC   _H44    80     1.09159   113.49760  -173.30253
   70    67 S   HC   _H45    81     1.09293   110.97521    65.29344
   71    60 S   CT   _C13    48     1.51319   127.07729  -165.60457
   72    71 S   HC   _H35    49     1.09695   107.93459  -144.27991
   73    71 S   HC   _H36    50     1.09357   111.40627   -27.74958
   74    87 S   OS   _O27    63     1.44033   108.47327  -139.43593
   75    71 S   CT   _C16    51     1.55677   111.74338    94.98768
   76    75 S   HC   _H40    52     1.09761   108.11449  -168.41404
   77    75 S   CM   _C7_    53     1.53332   110.80529   -47.21593
   78    75 S   OS   _O28    71     1.44741   107.42078    75.06098
   79    77 S   CM   _C5_    54     1.35026   119.81398    84.49911
   80    79 S   HC   _H32    55     1.08775   117.34654     8.65905
   81    77 S   CT   _C20    67     1.50276   114.54998   -88.39242
   82    81 S   HC   _H46    68     1.09508   109.65081   -68.74213
   83    81 S   HC   _H47    69     1.09168   113.57289   171.00252
   84    81 S   HC   _H48    70     1.09433   110.67203    50.37598
   85    78 S   CO4  _C11    72     1.36230   117.27349   156.51675
   86    85 S   O    _O25    73     1.22339   126.42813    -1.10500
   87    79 S   CT   _C15    56     1.49419   128.72772  -163.77927
   88    87 S   HC   _H39    57     1.09678   110.04058   -24.68502
   89    85 S   CT   _C21    74     1.49828   109.51108   177.73307
   90    89 S   HC   _H49    75     1.09250   109.66247   -70.38354
   91    89 S   HC   _H50    76     1.09372   109.34877   170.11010
   92    89 S   HC   _H51    77     1.09319   110.02008    51.48188
  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  12   5   4   3
  15   2   1   1  14   4   8   3   2   1   7   5   4  10   3   2
   1   1  16   8  14   5   4  14   7  10   9  12   5   8   3   4
   1   1   4   2   1   1   9   5   4   5  13   5  10   8   7   3
   4   2   1   1   5   4   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    39    40    41    42    43    44    45    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    51    39    40    41    42    43    44    45    47    48    49    50  
   35    36  
   36  
    0  
   38    46    51    52    53    56    39    40    41    42    43    44    45    47  
   46    51    39    43  
   40    41    42    43    44    45    47    46  
   41    42    43  
   42    43  
   43  
   44    45    47    48    49    50    46  
   45    47    48    49    50  
   47    48    49    50  
   51    52    53    54    55    58    87    56    57    59  
   48    49    50  
   49    50  
   50  
    0  
   52    53    54    55    58    60    79    87    88    56    57    59    62    74    64    67  
   53    54    55    58    87    56    57    59  
   54    55    58    60    61    71    87    56    57    59    67    68    69    70  
   55    58    60    56    67  
   58    60    56    67  
   57    59    62    63    74    64    65    66    58    77    79    80    87    88  
   59    62    74    64    79    87    88  
   60    61    71    72    73    75    67    68    69    70  
   62    63    74    64    65    66    79    87    88  
   61    71    72    73    75    76    77    78    67    68    69    70  
   71    72    73    75    67  
   63    74    64    65    66    79    87    88  
   74    64    87  
   65    66    74    87  
   66  
    0  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73    75    76    77    79    81    78    85  
   73    75    76    77    78  
   75    76    77    78  
   77    79    80    87    88  
   76    77    79    80    87    81    82    83    84    78    85    86    89  
   77    79    81    78    85  
   79    80    87    88    81    82    83    84    78    85  
   85    86    89    90    91    92    79    81  
   80    87    88    81    82    83    84  
   87    88    81  
   82    83    84    87  
   83    84  
   84  
    0  
   86    89    90    91    92  
   89    90    91    92  
   88  
    0  
   90    91    92  
   91    92  
   92  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   45   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   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   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   87   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.522
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   570.000  1.229
   37    46   214.000  1.327
   46    51   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   317.000  1.510
   58    60   549.000  1.340
   58    67   317.000  1.510
   60    61   340.000  1.080
   60    71   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    75   268.000  1.529
   75    76   340.000  1.090
   75    77   317.000  1.510
   75    78   320.000  1.410
   77    79   549.000  1.340
   77    81   317.000  1.510
   79    80   340.000  1.080
   79    87   317.000  1.510
   87    88   340.000  1.090
   87    56   268.000  1.529
   87    74   320.000  1.410
   56    57   340.000  1.090
   56    59   317.000  1.510
   59    62   320.000  1.462
   59    64   549.000  1.340
   62    63   570.000  1.229
   62    74   214.000  1.327
   64    65   340.000  1.080
   64    66   340.000  1.080
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   78    85   214.000  1.327
   85    86   570.000  1.229
   85    89   317.000  1.522
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   570.000  1.307
   43    45   340.000  1.090
   43    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    46    81.00000  111.40000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    50.00000  109.50000
   33    43    45    37.50000  110.70000
   33    43    47    58.35000  112.70000
   37    46    51    83.00000  116.90000
   46    37    38    83.00000  123.40000
   46    51    52    35.00000  109.50000
   46    51    53    50.00000  109.50000
   46    51    56    50.00000  109.50000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    58    70.00000  112.02700
   51    56    87    58.35000  112.70000
   51    56    57    37.50000  110.70000
   51    56    59    70.00000  112.02700
   53    51    52    37.50000  110.70000
   53    58    60    70.00000  124.00000
   53    58    67    65.00000  117.92700
   55    53    54    33.00000  107.80000
   58    53    54    35.00000  109.50000
   58    53    55    35.00000  109.50000
   58    60    61    35.00000  120.00000
   58    60    71    70.00000  124.00000
   58    67    68    35.00000  109.50000
   58    67    69    35.00000  109.50000
   58    67    70    35.00000  109.50000
   60    71    72    35.00000  109.50000
   60    71    73    35.00000  109.50000
   60    71    75    70.00000  112.02700
   71    60    61    35.00000  117.00000
   71    75    76    37.50000  110.70000
   71    75    77    70.00000  112.02700
   71    75    78    50.00000  109.50000
   73    71    72    33.00000  107.80000
   75    71    72    37.50000  110.70000
   75    71    73    37.50000  110.70000
   75    77    79    70.00000  124.00000
   75    77    81    65.00000  117.92700
   75    78    85    83.00000  116.90000
   77    75    76    35.00000  109.50000
   77    79    80    35.00000  120.00000
   77    79    87    70.00000  124.00000
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    84    35.00000  109.50000
   79    87    88    35.00000  109.50000
   79    87    56    70.00000  112.02700
   79    87    74    85.00000  110.90400
   87    79    80    35.00000  117.00000
   87    56    57    37.50000  110.70000
   87    56    59    70.00000  112.02700
   87    74    62    83.00000  116.90000
   56    51    52    37.50000  110.70000
   56    51    53    58.35000  112.70000
   56    87    88    37.50000  110.70000
   56    59    62    65.00000  116.34900
   56    59    64    70.00000  124.00000
   59    56    57    35.00000  109.50000
   59    62    63    80.00000  123.72100
   59    62    74    90.00000  111.29400
   59    64    65    35.00000  120.00000
   59    64    66    35.00000  120.00000
   74    87    88    35.00000  109.50000
   74    87    56    50.00000  109.50000
   74    62    63    83.00000  123.40000
   64    59    62    65.00000  118.96000
   66    64    65    35.00000  117.00000
   81    77    79    70.00000  124.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   78    75    76    35.00000  109.50000
   78    75    77    85.00000  110.90400
   78    85    86    83.00000  123.40000
   78    85    89    81.00000  111.40000
   85    89    90    35.00000  109.50000
   85    89    91    35.00000  109.50000
   85    89    92    35.00000  109.50000
   89    85    86    80.00000  120.40000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   67    58    60    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   39    33    37    63.00000  111.10000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    63.00000  111.10000
   43    33    39    58.35000  112.70000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    50    37.50000  110.70000
   45    43    44    45.00000  125.66300
   47    43    44    50.00000  109.50000
   47    43    45    37.50000  110.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  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
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    37    38   0.30150 -1.0 2.0
   29    33    37    46   0.40000  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
   29    33    43    44   0.56750  1.0 1.0
   29    33    43    44  -0.07550 -1.0 2.0
   29    33    43    44   0.20000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    47   0.44750  1.0 1.0
   29    33    43    47  -0.17800 -1.0 2.0
   29    33    43    47   0.20200  1.0 3.0
   33    37    46    51   1.63150  1.0 1.0
   33    37    46    51   2.92000 -1.0 2.0
   33    43    47    48   0.15000  1.0 3.0
   33    43    47    49   0.15000  1.0 3.0
   33    43    47    50   0.15000  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    39    42  -0.11250  1.0 3.0
   37    33    43    44  -0.09450  1.0 1.0
   37    33    43    44  -1.12950 -1.0 2.0
   37    33    43    44   0.54000  1.0 3.0
   37    33    43    45  -0.11250  1.0 3.0
   37    33    43    47  -0.95700  1.0 1.0
   37    33    43    47  -0.18200 -1.0 2.0
   37    33    43    47   0.29450  1.0 3.0
   37    46    51    52   0.08050  1.0 3.0
   37    46    51    53  -0.25900  1.0 1.0
   37    46    51    53  -0.47000 -1.0 2.0
   37    46    51    53   0.11750  1.0 3.0
   37    46    51    56  -0.25900  1.0 1.0
   37    46    51    56  -0.47000 -1.0 2.0
   37    46    51    56   0.11750  1.0 3.0
   38    37    46    51   3.00000 -1.0 2.0
   46    51    53    54   0.23400  1.0 3.0
   46    51    53    55   0.23400  1.0 3.0
   46    51    53    58   0.61850  1.0 1.0
   46    51    53    58  -0.22750 -1.0 2.0
   46    51    53    58   0.15300  1.0 3.0
   46    51    56    87   0.62750  1.0 1.0
   46    51    56    87  -0.30950 -1.0 2.0
   46    51    56    87   0.27300  1.0 3.0
   46    51    56    57   0.23400  1.0 3.0
   46    51    56    59   0.61850  1.0 1.0
   46    51    56    59  -0.22750 -1.0 2.0
   46    51    56    59   0.15300  1.0 3.0
   51    53    58    60   0.09850  1.0 1.0
   51    53    58    60   0.15250 -1.0 2.0
   51    53    58    60  -0.50650  1.0 3.0
   51    53    58    67   0.46850  1.0 1.0
   51    53    58    67   0.08550 -1.0 2.0
   51    53    58    67   0.09800  1.0 3.0
   51    56    59    62   0.09700  1.0 1.0
   51    56    59    62   0.15600 -1.0 2.0
   51    56    59    62  -0.50800  1.0 3.0
   51    56    59    64   0.09850  1.0 1.0
   51    56    59    64   0.15250 -1.0 2.0
   51    56    59    64  -0.50650  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    58   0.15000  1.0 3.0
   52    51    56    87   0.15000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    59   0.15000  1.0 3.0
   53    51    56    87   0.56750  1.0 1.0
   53    51    56    87  -0.07550 -1.0 2.0
   53    51    56    87   0.20000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    59   0.34400  1.0 1.0
   53    51    56    59   0.09450 -1.0 2.0
   53    51    56    59   0.11100  1.0 3.0
   53    58    60    61   7.00000 -1.0 2.0
   53    58    60    71   7.00000 -1.0 2.0
   53    58    67    68   0.34800  1.0 3.0
   53    58    67    69   0.34800  1.0 3.0
   53    58    67    70   0.34800  1.0 3.0
   54    53    58    60   0.00000  1.0 1.0
   54    53    58    67   0.34800  1.0 3.0
   55    53    58    60   0.00000  1.0 1.0
   55    53    58    67   0.34800  1.0 3.0
   58    60    71    72   0.00000  1.0 1.0
   58    60    71    73   0.00000  1.0 1.0
   58    60    71    75   0.09850  1.0 1.0
   58    60    71    75   0.15250 -1.0 2.0
   58    60    71    75  -0.50650  1.0 3.0
   60    58    67    68   0.00000  1.0 1.0
   60    58    67    69   0.00000  1.0 1.0
   60    58    67    70   0.00000  1.0 1.0
   60    71    75    76   0.15000  1.0 3.0
   60    71    75    77   0.31000  1.0 1.0
   60    71    75    77   0.14700 -1.0 2.0
   60    71    75    77   0.07550  1.0 3.0
   60    71    75    78   0.61850  1.0 1.0
   60    71    75    78  -0.22750 -1.0 2.0
   60    71    75    78   0.15300  1.0 3.0
   61    60    71    72   0.33100  1.0 3.0
   61    60    71    73   0.33100  1.0 3.0
   61    60    71    75   0.00000  1.0 1.0
   71    75    77    79   0.09850  1.0 1.0
   71    75    77    79   0.15250 -1.0 2.0
   71    75    77    79  -0.50650  1.0 3.0
   71    75    77    81   0.46850  1.0 1.0
   71    75    77    81   0.08550 -1.0 2.0
   71    75    77    81   0.09800  1.0 3.0
   71    75    78    85  -0.25900  1.0 1.0
   71    75    78    85  -0.47000 -1.0 2.0
   71    75    78    85   0.11750  1.0 3.0
   72    71    75    76   0.15000  1.0 3.0
   72    71    75    77   0.15000  1.0 3.0
   72    71    75    78   0.23400  1.0 3.0
   73    71    75    76   0.15000  1.0 3.0
   73    71    75    77   0.15000  1.0 3.0
   73    71    75    78   0.23400  1.0 3.0
   75    77    79    80   7.00000 -1.0 2.0
   75    77    79    87   7.00000 -1.0 2.0
   75    77    81    82   0.34800  1.0 3.0
   75    77    81    83   0.34800  1.0 3.0
   75    77    81    84   0.34800  1.0 3.0
   75    78    85    86   3.00000 -1.0 2.0
   75    78    85    89   1.63150  1.0 1.0
   75    78    85    89   2.92000 -1.0 2.0
   76    75    77    79   0.00000  1.0 1.0
   76    75    77    81   0.34800  1.0 3.0
   76    75    78    85   0.08050  1.0 3.0
   77    75    78    85  -0.82050  1.0 1.0
   77    75    78    85   0.00600 -1.0 2.0
   77    75    78    85   0.04400  1.0 3.0
   77    79    87    88   0.00000  1.0 1.0
   77    79    87    56   0.09850  1.0 1.0
   77    79    87    56   0.15250 -1.0 2.0
   77    79    87    56  -0.50650  1.0 3.0
   77    79    87    74   0.39000  1.0 1.0
   77    79    87    74  -0.05800 -1.0 2.0
   77    79    87    74  -0.55150  1.0 3.0
   79    77    81    82   0.00000  1.0 1.0
   79    77    81    83   0.00000  1.0 1.0
   79    77    81    84   0.00000  1.0 1.0
   79    87    56    51   0.34400  1.0 1.0
   79    87    56    51   0.09450 -1.0 2.0
   79    87    56    51   0.11100  1.0 3.0
   79    87    56    57   0.15000  1.0 3.0
   79    87    56    59   0.31000  1.0 1.0
   79    87    56    59   0.14700 -1.0 2.0
   79    87    56    59   0.07550  1.0 3.0
   79    87    74    62  -0.82050  1.0 1.0
   79    87    74    62   0.00600 -1.0 2.0
   79    87    74    62   0.04400  1.0 3.0
   80    79    87    88   0.33100  1.0 3.0
   80    79    87    56   0.00000  1.0 1.0
   80    79    87    74   0.00000  1.0 1.0
   87    56   -59    62   0.09700  1.0 1.0
   87    56   -59    62   0.15600 -1.0 2.0
   87    56   -59    62  -0.50800  1.0 3.0
   87    56    59    64   0.09850  1.0 1.0
   87    56    59    64   0.15250 -1.0 2.0
   87    56    59    64  -0.50650  1.0 3.0
   88    87    56    51   0.15000  1.0 3.0
   88    87    56    57   0.15000  1.0 3.0
   88    87    56    59   0.15000  1.0 3.0
   88    87    74    62   0.08050  1.0 3.0
   56    51    53    54   0.15000  1.0 3.0
   56    51    53    55   0.15000  1.0 3.0
   56    51    53    58   0.34400  1.0 1.0
   56    51    53    58   0.09450 -1.0 2.0
   56    51    53    58   0.11100  1.0 3.0
   56    87   -74    62  -0.25900  1.0 1.0
   56    87   -74    62  -0.47000 -1.0 2.0
   56    87   -74    62   0.11750  1.0 3.0
   56    59    62    63  -0.64400  1.0 1.0
   56    59    62    63   0.26850 -1.0 2.0
   56    59   -62    74  -0.15000  1.0 1.0
   56    59   -62    74   0.89550 -1.0 2.0
   56    59   -62    74  -0.06900  1.0 3.0
   56    59    64    65   7.00000 -1.0 2.0
   56    59    64    66   7.00000 -1.0 2.0
   57    56    59    62   0.15000  1.0 3.0
   57    56    59    64   0.00000  1.0 1.0
   59    62   -74    87   2.00000 -1.0 2.0
   62    59    64    65   7.00000 -1.0 2.0
   62    59    64    66   7.00000 -1.0 2.0
   63    62    74    87   3.00000 -1.0 2.0
   74    87    56    51   0.62750  1.0 1.0
   74    87    56    51  -0.30950 -1.0 2.0
   74    87    56    51   0.27300  1.0 3.0
   74    87    56    57   0.23400  1.0 3.0
   74    87   -56    59   0.61850  1.0 1.0
   74    87   -56    59  -0.22750 -1.0 2.0
   74    87   -56    59   0.15300  1.0 3.0
   64    59    62    63   1.00000 -1.0 2.0
   64    59    62    74  -0.56150  1.0 1.0
   64    59    62    74   2.19150 -1.0 2.0
   81    77    79    80   7.00000 -1.0 2.0
   81    77    79    87   7.00000 -1.0 2.0
   78    75    77    79   0.39000  1.0 1.0
   78    75    77    79  -0.05800 -1.0 2.0
   78    75    77    79  -0.55150  1.0 3.0
   78    75    77    81   0.09700  1.0 1.0
   78    75    77    81   0.15600 -1.0 2.0
   78    75    77    81  -0.50800  1.0 3.0
   78    85    89    90   0.00000  1.0 1.0
   78    85    89    91   0.00000  1.0 1.0
   78    85    89    92   0.00000  1.0 1.0
   86    85    89    90   0.00000  1.0 1.0
   86    85    89    91   0.00000  1.0 1.0
   86    85    89    92   0.00000  1.0 1.0
   67    58    60    61   7.00000 -1.0 2.0
   67    58    60    71   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    46   0.36750  1.0 3.0
   39    33    43    44   0.62750  1.0 1.0
   39    33    43    44  -0.30950 -1.0 2.0
   39    33    43    44   0.27300  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    47   0.56750  1.0 1.0
   39    33    43    47  -0.07550 -1.0 2.0
   39    33    43    47   0.20000  1.0 3.0
   43    33    37    38   0.30150 -1.0 2.0
   43    33    37    46   0.36750  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   44    43    47    48   0.23400  1.0 3.0
   44    43    47    49   0.23400  1.0 3.0
   44    43    47    50   0.23400  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    49   0.15000  1.0 3.0
   45    43    47    50   0.15000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    46    37    38  10.50000 -1.0 2.0
   53    67    58    60   1.10000 -1.0 2.0
   71    61    60    58   1.10000 -1.0 2.0
   75    81    77    79   1.10000 -1.0 2.0
   87    80    79    77   1.10000 -1.0 2.0
   56    62    59    64   1.10000 -1.0 2.0
   59    74    62    63  10.50000 -1.0 2.0
   65    66    64    59   1.10000 -1.0 2.0
   78    89    85    86  10.50000 -1.0 2.0
END
