* LIGAND DATABASE FILE (OPLS2005)
*
001      97   101    191    313     577
    1     0 S   NP   _N1_     1    28.63217    93.97441   -20.52142
    2     1 S   H    _HN1     2     1.02775    93.80321   -59.26099
    3     1 S   H    _H1_     3     1.02952    92.22856    49.37489
    4     1 S   H    _H2_     4     1.02831    25.65907   175.49254
    5     1 S   CT   _CA1     5     1.50305   136.26460   172.29398
    6     5 S   HC   _HA1     6     1.09590   104.98704    60.94583
    7     5 S   CO3  _C1_     7     1.53843   112.79637   -58.32606
    8     7 S   O2Z  _O11     8     1.26312   114.95783   -27.60317
    9     7 S   O2Z  _O12     9     1.26252   115.11237   151.12804
   10     5 S   CT   _CB1    10     1.53122   107.19051   178.53433
   11    10 S   HC   HB11    11     1.09797   108.86507   -49.89861
   12    10 S   HC   HB12    12     1.09814   110.39362    66.42209
   13    10 S   CT   _CG1    13     1.52995   113.02789  -171.30019
   14    13 S   HC   HG11    14     1.09496   110.14006   -70.13034
   15    13 S   HC   HG12    15     1.09661   110.16297    48.91353
   16    13 S   C    _CD1    16     1.51849   112.61220   168.58632
   17    16 S   O    _OE1    17     1.22722   123.15190   -13.17273
   18    16 S   N    _N2_    18     1.38645   111.72705   168.54023
   19    18 S   H    _HN2    19     1.01577   118.97873    -1.35610
   20    18 S   CT1  _CA2    20     1.46324   123.48527   177.26734
   21    20 S   HC   _HA2    21     1.09758   109.13495   -18.70836
   22    20 S   C    _C2_    22     1.53514   107.78160  -133.93450
   23    22 S   O    _O2_    23     1.22984   122.45370  -144.61548
   24    20 S   CT   _CB2    32     1.53483   112.00572   103.70540
   25    24 S   HC   HB21    33     1.09567   109.99248    52.51429
   26    24 S   HC   HB22    34     1.09383   110.06551   171.59706
   27    22 S   N    _N3_    24     1.38580   113.19605    42.59587
   28    27 S   H    _HN3    25     1.01537   118.89311    -0.47313
   29    24 S   S    _SG2    35     1.82582   111.56590   -68.53771
   30    27 S   CT   _CA3    26     1.45457   123.53937   175.23720
   31    30 S   HC   HA31    27     1.09514   109.33786    22.11795
   32    30 S   HC   HA32    28     1.09496   107.08574   139.14784
   33    29 S   CT   _C21    36     1.86531   100.11031   175.15807
   34    33 S   HC   _H11    37     1.09692   106.99536   -23.73187
   35    30 S   CO3  _C3_    29     1.52923   113.09083  -101.42966
   36    35 S   O2Z  _O31    30     1.26404   115.41473   -43.76971
   37    35 S   O2Z  _O32    31     1.26354   114.97368   137.16397
   38    33 S   CM   _C22    38     1.51261   105.76141    92.22459
   39    38 S   CMA  _C23    39     1.35413   126.20025   101.97278
   40    39 S   OM   _O38    40     1.26553   127.88252  -176.37431
   41    38 S   OH   _O39    96     1.39066   113.74715   -78.66610
   42    41 S   HO   _H22    97     0.97535   105.77259   179.33324
   43    39 S   CT   _C5_    41     1.54991   120.19371     2.04584
   44    43 S   HC   _H3_    42     1.10382   106.42734  -121.51063
   45    43 S   CT   _C6_    43     1.57297   114.08554    -7.09030
   46    45 S   HC   _H4_    44     1.10028   103.96218   -80.23863
   47    43 S   CT   _C4_    92     1.55122   112.88145   124.23955
   48    47 S   HC   _H12    93     1.09166   112.79751   -69.76098
   49    47 S   HC   _H13    94     1.09457   111.20658   168.84642
   50    47 S   HC   _H14    95     1.09565   111.90890    51.28295
   51    45 S   CT   _C7_    45     1.54285   113.12890   165.82675
   52    51 S   HC   _H15    46     1.09481   111.32681   -68.70350
   53    51 S   HC   _H16    47     1.09776   108.41502    49.16899
   54    51 S   CT   _C8_    48     1.52495   112.15759   168.53657
   55    54 S   HC   _H5_    49     1.09734   108.18004  -179.43559
   56    54 S   CT   _C9_    50     1.52307   112.87070    57.59016
   57    54 S   OS   _O35    62     1.45799   106.36832   -66.26054
   58    56 S   CT   _C10    51     1.53120   115.68862    80.62519
   59    58 S   HC   _H17    52     1.08760   115.85828   -89.44255
   60    58 S   HC   _H18    53     1.09637   112.09741    34.29366
   61    56 S   CT   _C19    74     1.58156   112.27007   -49.93509
   62    61 S   HC   _H10    75     1.09297   102.86730   -66.53593
   63    58 S   OS   _O33    54     1.44823   105.52564   150.49166
   64    33 S   CT   _C20    76     1.57921   114.72393  -142.73373
   65    63 S   CT   _C11    55     1.46458   108.34421   -10.71799
   66    64 S   CT   _C24    77     1.55456   106.30360   169.58864
   67    66 S   HC   _H23    78     1.08954   112.91916   174.69175
   68    66 S   HC   _H24    79     1.09295   112.36411    54.59620
   69    66 S   HC   _H25    80     1.09046   112.59559   -61.73329
   70    56 S   CT   _C12    56     1.53427   106.57198  -172.56484
   71    70 S   HC   _H6_    57     1.10169   108.07211   -58.89038
   72    65 S   CT   _C17    70     1.54447   106.53075    98.79256
   73    72 S   HC   _H8_    71     1.09778   108.47694    67.30617
   74    65 S   CO4  _C25    85     1.52578   104.14009  -140.21877
   75    74 S   O    _O42    86     1.22602   124.20097    16.41105
   76    70 S   CT   _C13    58     1.52099   113.22182    58.76461
   77    76 S   HC   _H7_    59     1.09186   111.05025    69.94319
   78    72 S   CT   _C18    72     1.54602   111.68551   -53.36162
   79    78 S   HC   _H9_    73     1.09524   109.37382  -160.68259
   80    72 S   OH   _O41    83     1.42313   111.27609  -175.14514
   81    80 S   HO   _H27    84     0.97242   107.75575  -170.18712
   82    74 S   OS   _O43    87     1.36201   111.07680  -164.12042
   83    76 S   CO4  _C14    60     1.52323   113.28726   -46.03743
   84    83 S   O    _O34    61     1.22946   121.80646  -159.00507
   85    76 S   OS   _O36    63     1.44072   112.26481  -173.39883
   86    78 S   OH   _O40    81     1.42218   107.77651    83.81512
   87    86 S   HO   _H26    82     0.97227   108.05926    61.73607
   88    82 S   CT   _C26    88     1.43051   115.46510   177.27897
   89    88 S   HC   _H28    89     1.09278   108.25035   179.57113
   90    88 S   HC   _H29    90     1.09396   110.45278    60.57847
   91    88 S   HC   _H30    91     1.09424   110.14142   -61.87561
   92    85 S   CO4  _C15    64     1.36340   119.64330    71.50130
   93    92 S   O    _O37    65     1.22338   126.52536    -2.60850
   94    92 S   CT   _C16    66     1.49792   109.71729   176.49927
   95    94 S   HC   _H19    67     1.09288   109.77847   -61.57865
   96    94 S   HC   _H20    68     1.09383   109.31819   179.48452
   97    94 S   HC   _H21    69     1.09154   110.08239    60.52313
  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
  19   7   2   1   1  11  13   5   3   1  14   8  20   8   5   2
   1   1  12   6   5  17   6  21   8  13   5   4  18   7  11   9
  17   4   2   1   1  14   6  11   6   9   2   7   4   5   3   2
   1   4   3   1   6   1   1   3   2   1   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    64    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    45    61    64    66    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    45    46    51    56    78    61    62    64    66    67    68    69    41    42  
   38    39    45    61    64    66    41  
   36    37  
   37  
    0  
   39    40    43    44    45    61    64    66    47    41    42  
   40    43    44    45    46    51    64    47    48    49    50    41    42  
   43    44    45    47    41  
   42    43    64  
    0  
   44    45    46    51    52    53    54    61    64    66    47    48    49    50  
   45    46    51    64    47    48    49    50  
   46    51    52    53    54    55    56    57    78    61    62    64    66    67    68    69    47    48    49    50  
   51    52    53    54    61    64    66    47  
   48    49    50    51    64  
   49    50  
   50  
    0  
   52    53    54    55    56    58    70    83    57    61    64    66  
   53    54    55    56    57    64  
   54    55    56    57    64  
   55    56    58    59    60    63    65    70    71    76    83    84    57    78    61    62    64  
   56    58    70    83    57    61  
   58    59    60    63    65    70    71    76    77    83    57    85    72    78    79    61    62    64    66    86    74  
   85    61    58    70    76    77    83    84  
   59    60    63    65    70    71    76    72    78    61    62    64    74  
   60    63    65    70    61  
   63    65    70    61  
   62    64    66    67    68    69    86    87    80    63    65    70    71    72    73    76    78    79  
   64    66    86    70    72    78    79  
   65    70    71    76    72    73    78    80    74    75    82  
   66    67    68    69    86    70    72    78    79  
   70    71    76    77    83    85    72    73    78    79    86    80    81    74    75    82    88  
   67    68    69    78  
   68    69  
   69  
    0  
   71    76    77    83    84    85    92    72    73    78    80    74    75    82  
   76    77    83    85    72    74  
   73    78    79    86    87    80    81    74    75    82    76  
   78    79    86    80    81    74  
   75    82    88    89    90    91    76    78    80  
   82    88  
   77    83    84    85    92    93    94  
   83    84    85    92  
   79    86    87    80    81  
   86    87    80  
   81    86  
    0  
   88    89    90    91  
   84    85    92  
   85  
   92    93    94    95    96    97  
   87  
    0  
   89    90    91  
   90    91  
   91  
    0  
   93    94    95    96    97  
   94    95    96    97  
   95    96    97  
   96    97  
   97  
    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  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   83   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   85   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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
   88   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   90   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   92   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   93   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   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   317.000  1.510
   33    64   268.000  1.529
   38    39   465.000  1.376
   38    41   510.000  1.338
   39    40   745.000  1.250
   39    43   270.000  1.512
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    47   268.000  1.529
   45    46   340.000  1.090
   45    51   268.000  1.529
   45    64   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    57   320.000  1.410
   56    58   268.000  1.529
   56    70   268.000  1.529
   56    61   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   320.000  1.410
   63    65   320.000  1.410
   65    70   268.000  1.529
   65    72   268.000  1.529
   65    74   317.000  1.522
   70    71   340.000  1.090
   70    76   268.000  1.529
   76    77   340.000  1.090
   76    83   317.000  1.522
   76    85   320.000  1.410
   83    84   570.000  1.229
   83    57   214.000  1.327
   85    92   214.000  1.327
   92    93   570.000  1.229
   92    94   317.000  1.522
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   72    73   340.000  1.090
   72    78   268.000  1.529
   72    80   320.000  1.410
   78    79   340.000  1.090
   78    61   268.000  1.529
   78    86   320.000  1.410
   61    62   340.000  1.090
   61    64   268.000  1.529
   64    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   86    87   553.000  0.945
   80    81   553.000  0.945
   74    75   570.000  1.229
   74    82   214.000  1.327
   82    88   320.000  1.410
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   41    42   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    64    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    90.00000  109.34000
   33    64    45    58.35000  112.70000
   33    64    61    58.35000  112.70000
   33    64    66    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    43    65.00000  122.18000
   38    41    42    70.00000  107.45700
   39    43    44    45.00000  110.52000
   39    43    45    70.00000  112.02700
   39    43    47    70.00000  112.02700
   43    39    40    85.00000  112.85300
   43    45    46    37.50000  110.70000
   43    45    51    58.35000  112.70000
   43    45    64    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    37.50000  110.70000
   45    51    52    37.50000  110.70000
   45    51    53    37.50000  110.70000
   45    51    54    58.35000  112.70000
   45    64    61    58.35000  112.70000
   45    64    66    58.35000  112.70000
   51    45    46    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    56    58.35000  112.70000
   51    54    57    50.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    56    58    58.35000  112.70000
   54    56    70    58.35000  112.70000
   54    56    61    58.35000  112.70000
   54    57    83    83.00000  116.90000
   56    54    55    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    60    37.50000  110.70000
   56    58    63    50.00000  109.50000
   56    70    65    58.35000  112.70000
   56    70    71    37.50000  110.70000
   56    70    76    58.35000  112.70000
   56    61    78    58.35000  112.70000
   56    61    62    37.50000  110.70000
   56    61    64    58.35000  112.70000
   58    63    65    60.00000  109.50000
   60    58    59    33.00000  107.80000
   63    58    59    35.00000  109.50000
   63    58    60    35.00000  109.50000
   63    65    70    50.00000  109.50000
   63    65    72    50.00000  109.50000
   63    65    74    90.00000  108.74100
   65    70    71    37.50000  110.70000
   65    70    76    58.35000  112.70000
   65    72    73    37.50000  110.70000
   65    72    78    58.35000  112.70000
   65    72    80    50.00000  109.50000
   65    74    75    80.00000  120.40000
   65    74    82    81.00000  111.40000
   70    56    58    58.35000  112.70000
   70    76    77    37.50000  110.70000
   70    76    83    63.00000  111.10000
   70    76    85    50.00000  109.50000
   76    70    71    37.50000  110.70000
   76    83    84    80.00000  120.40000
   76    83    57    81.00000  111.40000
   76    85    92    83.00000  116.90000
   83    76    77    35.00000  109.50000
   57    54    55    35.00000  109.50000
   57    54    56    50.00000  109.50000
   57    83    84    83.00000  123.40000
   85    76    77    35.00000  109.50000
   85    76    83    90.00000  108.74100
   85    92    93    83.00000  123.40000
   85    92    94    81.00000  111.40000
   92    94    95    35.00000  109.50000
   92    94    96    35.00000  109.50000
   92    94    97    35.00000  109.50000
   94    92    93    80.00000  120.40000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   72    65    70    58.35000  112.70000
   72    78    79    37.50000  110.70000
   72    78    61    58.35000  112.70000
   72    78    86    50.00000  109.50000
   72    80    81    55.00000  108.50000
   78    72    73    37.50000  110.70000
   78    61    62    37.50000  110.70000
   78    61    64    58.35000  112.70000
   78    86    87    55.00000  108.50000
   61    56    58    58.35000  112.70000
   61    56    70    58.35000  112.70000
   61    78    79    37.50000  110.70000
   61    64    66    58.35000  112.70000
   64    33    34    37.50000  110.70000
   64    33    38    70.00000  112.02700
   64    45    46    37.50000  110.70000
   64    45    51    58.35000  112.70000
   64    61    62    37.50000  110.70000
   64    66    67    37.50000  110.70000
   64    66    68    37.50000  110.70000
   64    66    69    37.50000  110.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   86    78    79    35.00000  109.50000
   86    78    61    50.00000  109.50000
   80    72    73    35.00000  109.50000
   80    72    78    50.00000  109.50000
   74    65    70    63.00000  111.10000
   74    65    72    63.00000  111.10000
   74    82    88    83.00000  116.90000
   82    74    75    83.00000  123.40000
   82    88    89    35.00000  109.50000
   82    88    90    35.00000  109.50000
   82    88    91    35.00000  109.50000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   47    43    44    37.50000  110.70000
   47    43    45    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   41    38    39    80.00000  121.38400
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    64   0.01700  1.0 1.0
   24    29    33    64  -0.23550 -1.0 2.0
   24    29    33    64   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    64    45   0.44750  1.0 1.0
   29    33    64    45  -0.17800 -1.0 2.0
   29    33    64    45   0.20200  1.0 3.0
   29    33    64    61   0.44750  1.0 1.0
   29    33    64    61  -0.17800 -1.0 2.0
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   74    65    70    56  -0.95700  1.0 1.0
   74    65    70    56  -0.18200 -1.0 2.0
   74    65    70    56   0.29450  1.0 3.0
   74    65    70    71  -0.11250  1.0 3.0
   74    65    70    76  -0.95700  1.0 1.0
   74    65    70    76  -0.18200 -1.0 2.0
   74    65    70    76   0.29450  1.0 3.0
   74    65    72    73  -0.11250  1.0 3.0
   74    65    72    78  -0.95700  1.0 1.0
   74    65    72    78  -0.18200 -1.0 2.0
   74    65    72    78   0.29450  1.0 3.0
   74    65    72    80  -0.09450  1.0 1.0
   74    65    72    80  -1.12950 -1.0 2.0
   74    65    72    80   0.54000  1.0 3.0
   74    82    88    89   0.08050  1.0 3.0
   74    82    88    90   0.08050  1.0 3.0
   74    82    88    91   0.08050  1.0 3.0
   75    74    82    88   3.00000 -1.0 2.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    51   0.56750  1.0 1.0
   47    43    45    51  -0.07550 -1.0 2.0
   47    43    45    51   0.20000  1.0 3.0
   47    43    45    64   0.56750  1.0 1.0
   47    43    45    64  -0.07550 -1.0 2.0
   47    43    45    64   0.20000  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    43   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   43    40    39    38   1.10000 -1.0 2.0
   76    57    83    84  10.50000 -1.0 2.0
   85    94    92    93  10.50000 -1.0 2.0
   65    82    74    75  10.50000 -1.0 2.0
END
