* LIGAND DATABASE FILE (OPLS2005)
*
001      90    91    168    245     487
    1     0 S   NP   _N1_     1    28.89201    93.85366   -21.75747
    2     1 S   H    _HN1     2     1.02782    96.30728   -63.59518
    3     1 S   H    _H1_     3     1.02972    88.28015    44.58557
    4     1 S   H    _H2_     4     1.02824    27.27307   178.90246
    5     1 S   CT   _CA1     5     1.50153   137.36362   163.34545
    6     5 S   HC   _HA1     6     1.09579   105.22158    66.69692
    7     5 S   CO3  _C1_     7     1.53772   112.45517   -53.42024
    8     7 S   O2Z  _O11     8     1.26353   115.02657   -42.59915
    9     7 S   O2Z  _O12     9     1.26252   114.91637   136.54959
   10     5 S   CT   _CB1    10     1.53061   107.32403  -175.51673
   11    10 S   HC   HB11    11     1.09834   109.15433   -51.72667
   12    10 S   HC   HB12    12     1.09827   110.40726    64.69024
   13    10 S   CT   _CG1    13     1.53036   112.88949  -172.95940
   14    13 S   HC   HG11    14     1.09588   110.40015   -65.00323
   15    13 S   HC   HG12    15     1.09641   110.10331    54.33469
   16    13 S   C    _CD1    16     1.51756   112.09529   174.44741
   17    16 S   O    _OE1    17     1.22714   123.17553    -5.60375
   18    16 S   N    _N2_    18     1.38595   111.94537   175.05129
   19    18 S   H    _HN2    19     1.01609   119.10280    -0.64133
   20    18 S   CT1  _CA2    20     1.46042   123.03741   179.98022
   21    20 S   HC   _HA2    21     1.09517   108.77461   -18.37464
   22    20 S   C    _C2_    22     1.53226   108.55684  -132.72163
   23    22 S   O    _O2_    23     1.22986   122.41237  -144.86986
   24    20 S   CT   _CB2    32     1.53420   111.91147   104.02544
   25    24 S   HC   HB21    33     1.09628   109.75940    53.79884
   26    24 S   HC   HB22    34     1.09543   111.31809   171.69721
   27    22 S   N    _N3_    24     1.38604   113.16921    43.58535
   28    27 S   H    _HN3    25     1.01534   119.08901    -2.53435
   29    24 S   S    _SG2    35     1.82904   113.76477   -66.23009
   30    27 S   CT   _CA3    26     1.45425   122.84519   174.09187
   31    30 S   HC   HA31    27     1.09564   108.42492    37.85666
   32    30 S   HC   HA32    28     1.09469   107.20985   154.84814
   33    29 S   CT   _C15    36     1.82698    99.37123   -74.27873
   34    33 S   HC   _H21    37     1.09465   107.48006   -65.27672
   35    33 S   HC   _H22    38     1.09164   108.81316    52.67246
   36    30 S   CO3  _C3_    29     1.53031   114.22879   -84.71512
   37    36 S   O2Z  _O31    30     1.26397   116.10346   -23.88732
   38    36 S   O2Z  _O32    31     1.26381   114.62633   156.54322
   39    33 S   CT   _C11    39     1.53202   111.29190   173.13030
   40    39 S   HC   _H8_    40     1.09530   111.09559   -48.20698
   41    39 S   CT   _C10    41     1.53419   111.26148  -173.01138
   42    41 S   HC   _H7_    42     1.09342   114.23997    30.05739
   43    41 S   CT   _C13    43     1.51810   101.72271   -91.39290
   44    43 S   HC   _H10    44     1.09687   109.79965    79.07832
   45    41 S   OS   _O37    54     1.42765   109.56506   152.72249
   46    43 S   CT   _C12    45     1.51787   101.61322   -38.03998
   47    46 S   HC   _H9_    46     1.09713   111.16595   -80.08512
   48    43 S   OH   _O39    52     1.41233   114.15834  -158.66958
   49    48 S   HO   _H17    53     0.97095   107.54724   -56.43122
   50    45 S   P2   _P1_    55     1.63605   119.58827   -92.02119
   51    50 S   O2Z  _O36    56     1.51212   108.30277   178.72436
   52    50 S   O2Z  _O35    57     1.51268   109.13799    45.52978
   53    39 S   OS   _O38    47     1.44796   108.79557    70.07990
   54    46 S   CT   _C14    48     1.51811   113.38785   156.94425
   55    54 S   HC   _H18    49     1.09555   111.01862   -59.91142
   56    54 S   HC   _H19    50     1.09524   110.28694  -177.75476
   57    54 S   HC   _H20    51     1.09394   111.35505    61.48863
   58    50 S   OS   _O34    58     1.63212   100.23010   -67.27356
   59    58 S   CT   _C9_    59     1.41781   119.81725   -66.47836
   60    59 S   HC   _H15    60     1.09533   109.57140   -67.92023
   61    59 S   HC   _H16    61     1.09478   110.23570    49.65504
   62    59 S   CT   _C8_    62     1.52402   109.33906   171.44733
   63    62 S   HC   _H6_    63     1.09787   108.69214    67.93313
   64    62 S   CT   _C7_    64     1.52500   113.50913   -54.84048
   65    64 S   HC   _H5_    65     1.09721   109.62672   -38.69797
   66    64 S   CT   _C6_    66     1.51671   101.47679  -155.30376
   67    66 S   HC   _H4_    67     1.09372   113.40838   161.31879
   68    64 S   OS   _O40    77     1.43004   110.88748    84.14825
   69    66 S   CT   _C5_    68     1.52723   101.98735    37.60770
   70    69 S   HC   _H3_    69     1.09529   111.98554  -146.35675
   71    66 S   OH   _O42    75     1.42811   109.65886   -78.11833
   72    71 S   HO   _H29    76     0.97265   107.50392   175.88615
   73    68 S   CO4  _C16    78     1.36189   117.04601  -157.29115
   74    73 S   O    _O41    79     1.22438   125.85409    -1.79559
   75    62 S   OS   _O33    70     1.43700   109.97473  -173.51632
   76    69 S   CT   _C4_    71     1.52272   112.93277    89.27456
   77    76 S   HC   _H12    72     1.09494   111.66963   -59.55014
   78    76 S   HC   _H13    73     1.09542   110.15988  -177.58006
   79    76 S   HC   _H14    74     1.09404   111.12116    62.06624
   80    73 S   CT1  _C17    80     1.51769   109.70513   178.80090
   81    80 S   HC   _H11    81     1.09568   108.44895    59.14580
   82    80 S   CT   _C18    82     1.52867   110.83271   -64.93090
   83    82 S   HC   _H23    83     1.09450   110.78671   -63.37453
   84    82 S   HC   _H24    84     1.09494   110.80292    55.00616
   85    80 S   NP   _N4_    87     1.49553   109.41608   174.18304
   86    85 S   H    _H26    88     1.02798   112.21300    61.58722
   87    85 S   H    _H27    89     1.02858   111.53078   -58.70770
   88    85 S   H    _H28    90     1.03583   112.03195  -177.74406
   89    82 S   SH   _S1_    85     1.81841   112.39987   174.96503
   90    89 S   HS   _H25    86     1.34207    96.24357   173.44175
  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   7   5   4   3
  10   5   4   2   1   1  12   6  14   7  12   7   8   8   6   3
   1   7   3   2   4   3   2   1   1   7  10   5   4  12   6  13
   7  12   7   9   8   6   3   1  11   4   4   3   2   1   1  10
   8   8   4   3   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    53  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    46    53    45  
   35    39    40    41    53  
   39    40    41    53  
   37    38  
   38  
    0  
   40    41    42    43    44    46    47    53    54    48    45    50  
   41    42    43    46    53    45  
   42    43    44    46    47    53    54    48    49    45    50    51    52    58  
   43    44    46    53    48    45    50  
   44    46    47    53    54    55    56    57    48    49    45    50  
   46    47    53    54    48    49    45  
   50    51    52    58    59    46    48    53  
   47    53    54    55    56    57    48    49  
   53    54    55    56    57    48  
   49    53    54  
    0  
   51    52    58    59    60    61    62  
   52    58    59  
   58    59  
   54    55    56    57  
   55    56    57  
   56    57  
   57  
    0  
   59    60    61    62    63    64    75  
   60    61    62    63    64    65    66    69    75    68  
   61    62    63    64    75  
   62    63    64    75  
   63    64    65    66    67    69    70    75    76    71    68    73  
   64    65    66    69    75    68  
   65    66    67    69    70    75    76    71    72    68    73    74    80  
   66    67    69    75    71    68    73  
   67    69    70    75    76    77    78    79    71    72    68    73  
   69    70    75    76    71    72    68  
   73    74    80    81    82    85    69    71    75  
   70    75    76    77    78    79    71    72  
   75    76    77    78    79    71  
   72    75    76  
    0  
   74    80    81    82    83    84    89    85    86    87    88  
   80    81    82    85  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83    84    89    90    85    86    87    88  
   82    83    84    89    85    86    87    88  
   83    84    89    90    85    86    87    88  
   84    89    90    85  
   89    90    85  
   86    87    88    89  
   87    88  
   88  
    0  
   90  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.7400   0.2000   1.760000   2.1070   1.8700   0.005000000   0.000000000
   51   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   52   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   53   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   3.5000   0.0660   0.060000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   85   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   86   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   87   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   88   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.6000   0.4250  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   90   0.5000   0.0300   0.155000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    53   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    48   320.000  1.410
   46    47   340.000  1.090
   46    53   320.000  1.410
   46    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   48    49   553.000  0.945
   45    50   230.000  1.697
   50    51   525.000  1.480
   50    52   525.000  1.480
   50    58   230.000  1.697
   58    59   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   340.000  1.090
   62    64   268.000  1.529
   62    75   320.000  1.410
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    68   320.000  1.410
   66    67   340.000  1.090
   66    69   268.000  1.529
   66    71   320.000  1.410
   69    70   340.000  1.090
   69    75   320.000  1.410
   69    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   71    72   553.000  0.945
   68    73   214.000  1.327
   73    74   570.000  1.229
   73    80   255.000  1.522
   80    81   340.000  1.090
   80    82   268.000  1.529
   80    85   367.000  1.471
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    89   222.000  1.810
   89    90   274.000  1.336
   85    86   434.000  1.010
   85    87   434.000  1.010
   85    88   434.000  1.010
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    53    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    53    46    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    46    58.35000  112.70000
   41    43    48    50.00000  109.50000
   41    45    50   100.00000  120.50000
   43    41    42    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    53    50.00000  109.50000
   43    46    54    58.35000  112.70000
   43    48    49    55.00000  108.50000
   46    43    44    37.50000  110.70000
   46    54    55    37.50000  110.70000
   46    54    56    37.50000  110.70000
   46    54    57    37.50000  110.70000
   53    39    40    35.00000  109.50000
   53    39    41    50.00000  109.50000
   53    46    47    35.00000  109.50000
   54    46    47    37.50000  110.70000
   54    46    53    50.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    46    50.00000  109.50000
   45    41    42    35.00000  109.50000
   45    41    43    50.00000  109.50000
   45    50    51   100.00000  108.23000
   45    50    52   100.00000  108.23000
   45    50    58    45.00000  102.60000
   50    58    59   100.00000  120.50000
   52    50    51   140.00000  119.90000
   58    50    51   100.00000  108.23000
   58    50    52   100.00000  108.23000
   58    59    60    35.00000  109.50000
   58    59    61    35.00000  109.50000
   58    59    62    50.00000  109.50000
   59    62    63    37.50000  110.70000
   59    62    64    58.35000  112.70000
   59    62    75    50.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    64    65    37.50000  110.70000
   62    64    66    58.35000  112.70000
   62    64    68    50.00000  109.50000
   62    75    69    60.00000  109.50000
   64    62    63    37.50000  110.70000
   64    66    67    37.50000  110.70000
   64    66    69    58.35000  112.70000
   64    66    71    50.00000  109.50000
   64    68    73    83.00000  116.90000
   66    64    65    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    75    50.00000  109.50000
   66    69    76    58.35000  112.70000
   66    71    72    55.00000  108.50000
   69    66    67    37.50000  110.70000
   69    76    77    37.50000  110.70000
   69    76    78    37.50000  110.70000
   69    76    79    37.50000  110.70000
   75    62    63    35.00000  109.50000
   75    62    64    50.00000  109.50000
   75    69    70    35.00000  109.50000
   76    69    70    37.50000  110.70000
   76    69    75    50.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   71    66    67    35.00000  109.50000
   71    66    69    50.00000  109.50000
   68    64    65    35.00000  109.50000
   68    64    66    50.00000  109.50000
   68    73    74    83.00000  123.40000
   68    73    80    90.00000  109.72300
   73    80    81    45.00000  110.09800
   73    80    82    70.00000  110.61500
   73    80    85    85.00000  107.27000
   80    73    74    75.00000  123.42600
   80    82    83    37.50000  110.70000
   80    82    84    37.50000  110.70000
   80    82    89    50.00000  108.60000
   80    85    86    35.00000  109.50000
   80    85    87    35.00000  109.50000
   80    85    88    35.00000  109.50000
   82    80    81    37.50000  110.70000
   82    89    90    44.00000   96.00000
   84    82    83    33.00000  107.80000
   89    82    83    35.00000  109.50000
   89    82    84    35.00000  109.50000
   85    80    81    35.00000  109.50000
   85    80    82    80.00000  111.20000
   87    85    86    35.00000  109.50000
   88    85    86    35.00000  109.50000
   88    85    87    35.00000  109.50000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    53   0.56750  1.0 1.0
   29    33    39    53  -0.07550 -1.0 2.0
   29    33    39    53   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.62750  1.0 1.0
   33    39    41    45  -0.30950 -1.0 2.0
   33    39    41    45   0.27300  1.0 3.0
   33    39    53    46   0.06250  1.0 1.0
   33    39    53    46  -0.01100 -1.0 2.0
   33    39    53    46   0.28050  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    53   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    53   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    46   0.56750  1.0 1.0
   39    41   -43    46  -0.07550 -1.0 2.0
   39    41   -43    46   0.20000  1.0 3.0
   39    41    43    48   0.86500  1.0 1.0
   39    41    43    48  -0.17500 -1.0 2.0
   39    41    43    48   0.20800  1.0 3.0
   39    41    45    50  -2.65550  1.0 1.0
   39    41    45    50  -0.22350 -1.0 2.0
   39    41    45    50   0.24150  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    53    46   0.37050  1.0 3.0
   41    39   -53    46   0.06250  1.0 1.0
   41    39   -53    46  -0.01100 -1.0 2.0
   41    39   -53    46   0.28050  1.0 3.0
   41    43    46    47   0.15000  1.0 3.0
   41    43   -46    53   0.62750  1.0 1.0
   41    43   -46    53  -0.30950 -1.0 2.0
   41    43   -46    53   0.27300  1.0 3.0
   41    43    46    54   0.56750  1.0 1.0
   41    43    46    54  -0.07550 -1.0 2.0
   41    43    46    54   0.20000  1.0 3.0
   41    43    48    49  -0.11600  1.0 1.0
   41    43    48    49  -0.09450 -1.0 2.0
   41    43    48    49   0.21250  1.0 3.0
   41    45    50    51   0.00000  1.0 1.0
   41    45    50    52   0.00000  1.0 1.0
   41    45    50    58   0.05050  1.0 1.0
   41    45    50    58  -1.30700 -1.0 2.0
   41    45    50    58   0.91550  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    46   0.15000  1.0 3.0
   42    41    43    48   0.23400  1.0 3.0
   42    41    45    50   0.03000  1.0 3.0
   43    41    45    50  -2.65550  1.0 1.0
   43    41    45    50  -0.22350 -1.0 2.0
   43    41    45    50   0.24150  1.0 3.0
   43    46   -53    39   0.06250  1.0 1.0
   43    46   -53    39  -0.01100 -1.0 2.0
   43    46   -53    39   0.28050  1.0 3.0
   43    46    54    55   0.15000  1.0 3.0
   43    46    54    56   0.15000  1.0 3.0
   43    46    54    57   0.15000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    53   0.23400  1.0 3.0
   44    43    46    54   0.15000  1.0 3.0
   44    43    48    49   0.19450  1.0 3.0
   46    43    48    49  -0.11600  1.0 1.0
   46    43    48    49  -0.09450 -1.0 2.0
   46    43    48    49   0.21250  1.0 3.0
   47    46    53    39   0.37050  1.0 3.0
   47    46    54    55   0.15000  1.0 3.0
   47    46    54    56   0.15000  1.0 3.0
   47    46    54    57   0.15000  1.0 3.0
   53    39    41    42   0.23400  1.0 3.0
   53    39   -41    43   0.62750  1.0 1.0
   53    39   -41    43  -0.30950 -1.0 2.0
   53    39   -41    43   0.27300  1.0 3.0
   53    39    41    45   1.11900  1.0 1.0
   53    39    41    45  -1.16350 -1.0 2.0
   53    39    41    45  -0.34150  1.0 3.0
   53    46    54    55   0.23400  1.0 3.0
   53    46    54    56   0.23400  1.0 3.0
   53    46    54    57   0.23400  1.0 3.0
   54    46    53    39   0.06250  1.0 1.0
   54    46    53    39  -0.01100 -1.0 2.0
   54    46    53    39   0.28050  1.0 3.0
   48    43    46    47   0.23400  1.0 3.0
   48    43    46    53   3.69350  1.0 1.0
   48    43    46    53  -1.82950 -1.0 2.0
   48    43    46    54   0.86500  1.0 1.0
   48    43    46    54  -0.17500 -1.0 2.0
   48    43    46    54   0.20800  1.0 3.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    46   0.62750  1.0 1.0
   45    41    43    46  -0.30950 -1.0 2.0
   45    41    43    46   0.27300  1.0 3.0
   45    41    43    48   3.69350  1.0 1.0
   45    41    43    48  -1.82950 -1.0 2.0
   45    50    58    59   0.05050  1.0 1.0
   45    50    58    59  -1.30700 -1.0 2.0
   45    50    58    59   0.91550  1.0 3.0
   50    58    59    60   0.03000  1.0 3.0
   50    58    59    61   0.03000  1.0 3.0
   50    58    59    62  -2.65550  1.0 1.0
   50    58    59    62  -0.22350 -1.0 2.0
   50    58    59    62   0.24150  1.0 3.0
   51    50    58    59   0.00000  1.0 1.0
   52    50    58    59   0.00000  1.0 1.0
   58    59    62    63   0.23400  1.0 3.0
   58    59    62    64   0.62750  1.0 1.0
   58    59    62    64  -0.30950 -1.0 2.0
   58    59    62    64   0.27300  1.0 3.0
   58    59    62    75   1.11900  1.0 1.0
   58    59    62    75  -1.16350 -1.0 2.0
   58    59    62    75  -0.34150  1.0 3.0
   59    62    64    65   0.15000  1.0 3.0
   59    62    64    66   0.56750  1.0 1.0
   59    62    64    66  -0.07550 -1.0 2.0
   59    62    64    66   0.20000  1.0 3.0
   59    62    64    68   0.62750  1.0 1.0
   59    62    64    68  -0.30950 -1.0 2.0
   59    62    64    68   0.27300  1.0 3.0
   59    62    75    69   0.06250  1.0 1.0
   59    62    75    69  -0.01100 -1.0 2.0
   59    62    75    69   0.28050  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64   0.15000  1.0 3.0
   60    59    62    75   0.23400  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    64   0.15000  1.0 3.0
   61    59    62    75   0.23400  1.0 3.0
   62    64    66    67   0.15000  1.0 3.0
   62    64   -66    69   0.56750  1.0 1.0
   62    64   -66    69  -0.07550 -1.0 2.0
   62    64   -66    69   0.20000  1.0 3.0
   62    64    66    71   0.86500  1.0 1.0
   62    64    66    71  -0.17500 -1.0 2.0
   62    64    66    71   0.20800  1.0 3.0
   62    64    68    73  -0.25900  1.0 1.0
   62    64    68    73  -0.47000 -1.0 2.0
   62    64    68    73   0.11750  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    64    68   0.23400  1.0 3.0
   63    62    75    69   0.37050  1.0 3.0
   64    62   -75    69   0.06250  1.0 1.0
   64    62   -75    69  -0.01100 -1.0 2.0
   64    62   -75    69   0.28050  1.0 3.0
   64    66    69    70   0.15000  1.0 3.0
   64    66   -69    75   0.62750  1.0 1.0
   64    66   -69    75  -0.30950 -1.0 2.0
   64    66   -69    75   0.27300  1.0 3.0
   64    66    69    76   0.56750  1.0 1.0
   64    66    69    76  -0.07550 -1.0 2.0
   64    66    69    76   0.20000  1.0 3.0
   64    66    71    72  -0.11600  1.0 1.0
   64    66    71    72  -0.09450 -1.0 2.0
   64    66    71    72   0.21250  1.0 3.0
   64    68    73    74   3.00000 -1.0 2.0
   64    68    73    80   1.63150  1.0 1.0
   64    68    73    80   2.92000 -1.0 2.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    69   0.15000  1.0 3.0
   65    64    66    71   0.23400  1.0 3.0
   65    64    68    73   0.08050  1.0 3.0
   66    64    68    73  -0.25900  1.0 1.0
   66    64    68    73  -0.47000 -1.0 2.0
   66    64    68    73   0.11750  1.0 3.0
   66    69   -75    62   0.06250  1.0 1.0
   66    69   -75    62  -0.01100 -1.0 2.0
   66    69   -75    62   0.28050  1.0 3.0
   66    69    76    77   0.15000  1.0 3.0
   66    69    76    78   0.15000  1.0 3.0
   66    69    76    79   0.15000  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    75   0.23400  1.0 3.0
   67    66    69    76   0.15000  1.0 3.0
   67    66    71    72   0.19450  1.0 3.0
   69    66    71    72  -0.11600  1.0 1.0
   69    66    71    72  -0.09450 -1.0 2.0
   69    66    71    72   0.21250  1.0 3.0
   70    69    75    62   0.37050  1.0 3.0
   70    69    76    77   0.15000  1.0 3.0
   70    69    76    78   0.15000  1.0 3.0
   70    69    76    79   0.15000  1.0 3.0
   75    62    64    65   0.23400  1.0 3.0
   75    62   -64    66   0.62750  1.0 1.0
   75    62   -64    66  -0.30950 -1.0 2.0
   75    62   -64    66   0.27300  1.0 3.0
   75    62    64    68   1.11900  1.0 1.0
   75    62    64    68  -1.16350 -1.0 2.0
   75    62    64    68  -0.34150  1.0 3.0
   75    69    76    77   0.23400  1.0 3.0
   75    69    76    78   0.23400  1.0 3.0
   75    69    76    79   0.23400  1.0 3.0
   76    69    75    62   0.06250  1.0 1.0
   76    69    75    62  -0.01100 -1.0 2.0
   76    69    75    62   0.28050  1.0 3.0
   71    66    69    70   0.23400  1.0 3.0
   71    66    69    75   3.69350  1.0 1.0
   71    66    69    75  -1.82950 -1.0 2.0
   71    66    69    76   0.86500  1.0 1.0
   71    66    69    76  -0.17500 -1.0 2.0
   71    66    69    76   0.20800  1.0 3.0
   68    64    66    67   0.23400  1.0 3.0
   68    64    66    69   0.62750  1.0 1.0
   68    64    66    69  -0.30950 -1.0 2.0
   68    64    66    69   0.27300  1.0 3.0
   68    64    66    71   3.69350  1.0 1.0
   68    64    66    71  -1.82950 -1.0 2.0
   68    73    80    81   0.00000  1.0 1.0
   68    73    80    82   0.36750  1.0 3.0
   68    73    80    85   0.40000  1.0 3.0
   73    80    82    83  -0.03800  1.0 3.0
   73    80    82    84  -0.03800  1.0 3.0
   73    80    82    89  -2.17200  1.0 1.0
   73    80    82    89  -0.85700 -1.0 2.0
   73    80    85    86   0.17350  1.0 3.0
   73    80    85    87   0.17350  1.0 3.0
   73    80    85    88   0.17350  1.0 3.0
   74    73    80    81   0.00000  1.0 1.0
   74    73    80    82   0.00000  1.0 1.0
   74    73    80    85   0.00000  1.0 1.0
   80    82    89    90  -0.37950  1.0 1.0
   80    82    89    90  -0.14100 -1.0 2.0
   80    82    89    90   0.30150  1.0 3.0
   81    80    82    83   0.15000  1.0 3.0
   81    80    82    84   0.15000  1.0 3.0
   81    80    82    89   0.22600  1.0 3.0
   81    80    85    86   0.13050  1.0 3.0
   81    80    85    87   0.13050  1.0 3.0
   81    80    85    88   0.13050  1.0 3.0
   82    80    85    86   0.17350  1.0 3.0
   82    80    85    87   0.17350  1.0 3.0
   82    80    85    88   0.17350  1.0 3.0
   83    82    89    90   0.22550  1.0 3.0
   84    82    89    90   0.22550  1.0 3.0
   85    80    82    83   0.23200  1.0 3.0
   85    80    82    84   0.23200  1.0 3.0
   85    80    82    89   0.71400  1.0 1.0
   85    80    82    89   0.04300 -1.0 2.0
   85    80    82    89   0.01450  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
   37    30    36    38  10.50000 -1.0 2.0
   68    80    73    74  10.50000 -1.0 2.0
END
