* LIGAND DATABASE FILE (OPLS2005)
*
001      88    91    158    257     473
    1     0 S   NP   _N1_     1    28.50310    96.12035   -23.93226
    2     1 S   H    _HN1     2     1.02860    19.00380    91.62426
    3     1 S   H    _H1_     3     1.02787   105.13577  -167.82617
    4     1 S   H    _H2_     4     1.02938    90.63845   -58.63564
    5     1 S   CT   _CA1     5     1.50073   127.07191    58.18888
    6     5 S   HC   _HA1     6     1.09541   105.41157    70.51358
    7     5 S   CO3  _C1_     7     1.53943   112.02076   -50.38196
    8     7 S   O2Z  _O11     8     1.26466   115.01141   -50.36715
    9     7 S   O2Z  _O12     9     1.26187   114.93551   128.77916
   10     5 S   CT   _CB1    10     1.53064   107.61283  -170.98151
   11    10 S   HC   HB11    11     1.09822   110.22181   -45.32847
   12    10 S   HC   HB12    12     1.09688   109.75361    70.87346
   13    10 S   CT   _CG1    13     1.53264   112.50382  -165.92719
   14    13 S   HC   HG11    14     1.09547   111.23315   -50.20376
   15    13 S   HC   HG12    15     1.09571   109.59860    68.74171
   16    13 S   C    _CD1    16     1.51564   111.27823  -168.83881
   17    16 S   O    _OE1    17     1.22808   122.25680    34.49690
   18    16 S   N    _N2_    18     1.38301   113.49962  -147.74155
   19    18 S   H    _HN2    19     1.01531   119.95415     5.47847
   20    18 S   CT1  _CA2    20     1.45781   121.53005  -177.87689
   21    20 S   HC   _HA2    21     1.09461   108.44500    31.03008
   22    20 S   C    _C2_    22     1.52736   105.90545   -86.58788
   23    22 S   O    _O2_    23     1.23026   122.31858   -57.42555
   24    20 S   CT   _CB2    32     1.53202   112.66737   154.08700
   25    24 S   HC   HB21    33     1.09639   110.04997    60.42488
   26    24 S   HC   HB22    34     1.09550   110.82430   177.93247
   27    22 S   N    _N3_    24     1.38436   113.16640   121.59712
   28    27 S   H    _HN3    25     1.01648   120.46789    -2.98072
   29    24 S   S    _SG2    35     1.82803   113.58327   -58.69240
   30    27 S   CT   _CA3    26     1.45385   122.33981  -179.50901
   31    30 S   HC   HA31    27     1.09576   107.62228   -57.03765
   32    30 S   HC   HA32    28     1.09564   107.71342    59.17972
   33    29 S   CT   _C24    36     1.85103   100.55286   -71.67181
   34    33 S   HC   _H3_    37     1.09498   107.63050    22.32654
   35    30 S   CO3  _C3_    29     1.52918   114.49272  -179.34868
   36    35 S   O2Z  _O31    30     1.26369   116.11951   -11.98138
   37    35 S   O2Z  _O32    31     1.26424   114.44443   168.27734
   38    33 S   CA   _C10    38     1.51766   109.51395   -95.74361
   39    33 S   CT   _C17    51     1.54137   109.15392   138.18625
   40    39 S   HC   _H39    52     1.09607   113.83949    60.71591
   41    38 S   CA   _C4_    39     1.40533   121.87986   -71.66391
   42    41 S   HA   _H34    40     1.08723   120.59180     0.07402
   43    39 S   CO4  _C16    53     1.51720   112.44685  -174.87061
   44    43 S   O    _O22    54     1.21625   128.22201   -63.89595
   45    41 S   CA   _C5_    41     1.39699   120.83285   179.81869
   46    45 S   HA   _H35    42     1.08624   119.32344   179.93439
   47    43 S   CA   _C9_    55     1.43747   107.79602   116.13181
   48    45 S   CA   _C12    43     1.39258   119.74343    -0.15949
   49    47 S   CA   _C11    56     1.37613   105.64059     0.94543
   50    48 S   CA   _C13    44     1.39160   120.13087    -0.07402
   51    48 S   OH   _O25    49     1.36702   120.49224  -180.00000
   52    51 S   HO   _H48    50     0.97206   108.73751    -0.18663
   53    49 S   CA   _C7_    57     1.38164   120.75649  -179.25822
   54    53 S   HA   _H37    58     1.08386   120.18142  -178.62941
   55    39 S   OS   _O23    88     1.46037   109.31548   -59.63623
   56    38 S   CA   _C6_    45     1.40510   119.48592   107.76239
   57    56 S   HA   _H36    46     1.08746   119.85995     0.25793
   58    50 S   OH   _O26    47     1.36755   119.29475  -179.89347
   59    58 S   HO   _H49    48     0.97210   108.78044  -179.74589
   60    53 S   CA   _C14    59     1.40095   117.90848     1.08083
   61    60 S   CA   _C8_    60     1.40783   120.87922    -2.68292
   62    61 S   HA   _H38    61     1.08706   119.88493  -178.59417
   63    60 S   OS   _O34    65     1.37261   122.58767   179.68472
   64    47 S   CA   _C15    62     1.37886   131.84866  -178.97703
   65    63 S   CO   _C22    66     1.44171   113.28926   -54.55922
   66    65 S   HC   _H44    67     1.09661   109.46587    61.74921
   67    64 S   OH   _O27    63     1.36034   122.87649    -0.64102
   68    67 S   HO   _H50    64     0.97431   108.46862     0.06256
   69    65 S   CT   _C20    68     1.53534   107.28058  -179.89347
   70    69 S   HC   _H42    69     1.09679   109.92039    53.07049
   71    69 S   CT   _C18    70     1.53212   111.19300   174.84482
   72    71 S   HC   _H40    71     1.09679   110.21036    73.63040
   73    69 S   OH   _O30    86     1.42896   110.16707   -63.69590
   74    73 S   HO   _H53    87     0.97642   108.40473   -56.19518
   75    71 S   CT   _C19    72     1.53345   111.44157   -49.05594
   76    75 S   HC   _H41    73     1.09689   109.15121   -71.23823
   77    71 S   OH   _O28    84     1.42971   109.69406  -170.48977
   78    77 S   HO   _H51    85     0.97243   108.08297    60.16786
   79    75 S   CT   _C21    74     1.53105   110.37292    50.01684
   80    79 S   HC   _H43    75     1.09643   110.30344    63.30889
   81    75 S   OH   _O29    82     1.42588   109.60920   171.81578
   82    81 S   HO   _H52    83     0.97229   108.14591   -61.27384
   83    65 S   OS   _O24    76     1.43172   111.16053   -60.28548
   84    79 S   CT   _C23    77     1.52991   112.27466  -176.27700
   85    84 S   HC   _H45    78     1.09456   111.25854    67.89634
   86    84 S   HC   _H46    79     1.09413   111.31371   -54.60109
   87    84 S   OH   _O33    80     1.42469   108.75506  -173.52492
   88    87 S   HO   _H54    81     0.97576   107.69301   169.78258
  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
  15   7   2   1   1  13  10   5   8   4   8   4   7   3  10   7
   8   6   3   1   8   4   2   3   1   1   1   9   6   3   9   2
  13   6   1   1  12   7  13   7   4   1  12   7   3   1   9   6
   3   1   4   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    56    39    40    43    55  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    50    56    57    39    40    43    44    47    49    55  
   38    41    56    39    40    43    55  
   36    37  
   37  
    0  
   41    42    45    46    48    50    56    57    58    39    40    43    55  
   40    43    44    47    49    53    64    55    41    56  
   43    44    47    49    55  
   42    45    46    48    50    56    57    51  
   45    46    48    56  
   44    47    49    53    61    64    67    55  
   47    49    64    55  
   46    48    50    56    58    51    52  
   48    50    51  
   49    53    54    60    61    62    64    67    68    55  
   50    56    57    58    59    51    52  
   53    54    60    61    64    67    63    55  
   56    57    58    59    51    52  
   52    56    58  
    0  
   54    60    61    62    64    63    65    55  
   60    61    63    55  
   60    64  
   57    58    59  
   58  
   59  
    0  
   61    62    64    67    63    65    66    69    83  
   62    64    67    68    63    65  
   64    67    63  
   65    66    69    70    71    79    83    73    64  
   67    68  
   66    69    70    71    72    75    79    80    83    84    77    73    74  
   69    70    71    79    83    73  
   68  
    0  
   70    71    72    75    76    79    83    81    77    78    73    74  
   71    72    75    83    77    73    74  
   72    75    76    79    80    83    84    81    82    77    78    73    74  
   75    76    79    81    77    78    73  
   74    75    77    83  
    0  
   76    79    80    83    84    85    86    87    81    82    77    78  
   79    80    83    84    81    82    77  
   78    79    81  
    0  
   80    83    84    85    86    87    88    81    82  
   83    84    85    86    87    81  
   82    83    84  
    0  
   84    85    86    87  
   85    86    87    88  
   86    87    88  
   87    88  
   88  
    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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   51   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   469.000  1.400
   38    56   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    50   469.000  1.400
   48    51   450.000  1.364
   50    56   469.000  1.400
   50    58   450.000  1.364
   56    57   367.000  1.080
   58    59   553.000  0.945
   51    52   553.000  0.945
   39    40   340.000  1.090
   39    43   317.000  1.522
   39    55   320.000  1.410
   43    44   570.000  1.229
   43    47   310.000  1.470
   47    49   469.000  1.400
   47    64   469.000  1.400
   49    53   469.000  1.400
   49    55   450.000  1.364
   53    54   367.000  1.080
   53    60   469.000  1.400
   60    61   469.000  1.400
   60    63   450.000  1.364
   61    62   367.000  1.080
   61    64   469.000  1.400
   64    67   450.000  1.364
   67    68   553.000  0.945
   63    65   320.000  1.380
   65    66   340.000  1.090
   65    69   250.000  1.527
   65    83   320.000  1.380
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    73   320.000  1.410
   71    72   340.000  1.090
   71    75   268.000  1.529
   71    77   320.000  1.410
   75    76   340.000  1.090
   75    79   268.000  1.529
   75    81   320.000  1.410
   79    80   340.000  1.090
   79    83   320.000  1.410
   79    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   320.000  1.410
   87    88   553.000  0.945
   81    82   553.000  0.945
   77    78   553.000  0.945
   73    74   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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  120.00000
   33    38    56    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    43    63.00000  111.10000
   33    39    55    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    56    50    63.00000  120.00000
   38    56    57    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    50    63.00000  120.00000
   45    48    51    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    50    56    63.00000  120.00000
   48    50    58    70.00000  120.00000
   48    51    52    35.00000  113.00000
   50    56    57    35.00000  120.00000
   50    58    59    35.00000  113.00000
   56    38    41    63.00000  120.00000
   58    50    56    70.00000  120.00000
   51    48    50    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    43    44    80.00000  120.40000
   39    43    47    65.00000  115.47100
   39    55    49    75.00000  111.00000
   43    39    40    35.00000  109.50000
   43    47    49    60.00000  119.52600
   43    47    64    60.00000  119.52600
   47    43    44    75.00000  123.78400
   47    49    53    63.00000  120.00000
   47    49    55    70.00000  120.00000
   47    64    61    63.00000  120.00000
   47    64    67    70.00000  120.00000
   49    53    54    35.00000  120.00000
   49    53    60    63.00000  120.00000
   53    60    61    63.00000  120.00000
   53    60    63    70.00000  120.00000
   60    53    54    35.00000  120.00000
   60    61    62    35.00000  120.00000
   60    61    64    63.00000  120.00000
   60    63    65   100.00000  112.36700
   61    64    67    70.00000  120.00000
   64    47    49    63.00000  120.00000
   64    61    62    35.00000  120.00000
   64    67    68    35.00000  113.00000
   63    60    61    70.00000  120.00000
   63    65    66    35.00000  109.50000
   63    65    69    90.00000  108.56700
   63    65    83    92.60000  111.55000
   65    69    70    45.00000  108.72000
   65    69    71    75.00000  109.43000
   65    69    73    90.00000  111.58700
   65    83    79    60.00000  109.50000
   69    65    66    45.00000  112.01100
   69    71    72    37.50000  110.70000
   69    71    75    58.35000  112.70000
   69    71    77    50.00000  109.50000
   69    73    74    55.00000  108.50000
   71    69    70    37.50000  110.70000
   71    75    76    37.50000  110.70000
   71    75    79    58.35000  112.70000
   71    75    81    50.00000  109.50000
   71    77    78    55.00000  108.50000
   75    71    72    37.50000  110.70000
   75    79    80    37.50000  110.70000
   75    79    83    50.00000  109.50000
   75    79    84    58.35000  112.70000
   75    81    82    55.00000  108.50000
   79    75    76    37.50000  110.70000
   79    84    85    37.50000  110.70000
   79    84    86    37.50000  110.70000
   79    84    87    50.00000  109.50000
   83    65    66    35.00000  109.50000
   83    65    69    90.00000  108.56700
   83    79    80    35.00000  109.50000
   84    79    80    37.50000  110.70000
   84    79    83    50.00000  109.50000
   84    87    88    55.00000  108.50000
   86    84    85    33.00000  107.80000
   87    84    85    35.00000  109.50000
   87    84    86    35.00000  109.50000
   81    75    76    35.00000  109.50000
   81    75    79    50.00000  109.50000
   77    71    72    35.00000  109.50000
   77    71    75    50.00000  109.50000
   73    69    70    35.00000  109.50000
   73    69    71    50.00000  109.50000
   55    39    40    35.00000  109.50000
   55    39    43    90.00000  108.74100
   55    49    53    70.00000  120.00000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    56  -0.16000  1.0 1.0
   29    33    38    56  -0.03200 -1.0 2.0
   29    33    38    56   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   29    33    39    55   0.56750  1.0 1.0
   29    33    39    55  -0.07550 -1.0 2.0
   29    33    39    55   0.20000  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    56    50   3.62500 -1.0 2.0
   33    38    56    57   3.62500 -1.0 2.0
   33    39    43    44   0.30150 -1.0 2.0
   33    39    43    47   0.05850 -1.0 2.0
   33    39    43    47   0.17250  1.0 3.0
   33    39    55    49  -0.32850  1.0 1.0
   33    39    55    49  -0.35800 -1.0 2.0
   33    39    55    49   0.33950  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    56   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43  -0.11250  1.0 3.0
   34    33    39    55   0.23400  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    43   0.56750  1.0 1.0
   38    33    39    43  -0.07550 -1.0 2.0
   38    33    39    43   0.20000  1.0 3.0
   38    33    39    55  -0.64350  1.0 1.0
   38    33    39    55  -0.04200 -1.0 2.0
   38    33    39    55   0.19800  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    56    50   3.62500 -1.0 2.0
   41    38    56    57   3.62500 -1.0 2.0
   41    45   -48    50   3.62500 -1.0 2.0
   41    45    48    51   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    50    56   3.62500 -1.0 2.0
   45    48    50    58   3.62500 -1.0 2.0
   45    48    51    52   0.84100 -1.0 2.0
   46    45    48    50   3.62500 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   48    50   -56    38   3.62500 -1.0 2.0
   48    50    56    57   3.62500 -1.0 2.0
   48    50    58    59   0.84100 -1.0 2.0
   50    48    51    52   0.84100 -1.0 2.0
   56    38    41    42   3.62500 -1.0 2.0
   56    38   -41    45   3.62500 -1.0 2.0
   56    50    58    59   0.84100 -1.0 2.0
   58    50    56    38   3.62500 -1.0 2.0
   58    50    56    57   3.62500 -1.0 2.0
   51    48    50    56   3.62500 -1.0 2.0
   51    48    50    58   3.62500 -1.0 2.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    56   0.04150 -1.0 2.0
   39    43   -47    49   2.26350  1.0 1.0
   39    43   -47    49   0.76750 -1.0 2.0
   39    43   -47    49   0.22500  1.0 3.0
   39    43    47    64   2.26350  1.0 1.0
   39    43    47    64   0.76750 -1.0 2.0
   39    43    47    64   0.22500  1.0 3.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    43    47   0.00000  1.0 1.0
   40    39    55    49   0.08050  1.0 3.0
   43    39   -55    49  -0.25600  1.0 1.0
   43    39   -55    49  -0.40050 -1.0 2.0
   43    39   -55    49   0.34700  1.0 3.0
   43    47    49    53   3.62500 -1.0 2.0
   43    47   -49    55   3.62500 -1.0 2.0
   43    47    64    61   3.62500 -1.0 2.0
   43    47    64    67   3.62500 -1.0 2.0
   44    43    47    49   1.05000 -1.0 2.0
   44    43    47    64   1.05000 -1.0 2.0
   47    49    53    54   3.62500 -1.0 2.0
   47    49    53    60   3.62500 -1.0 2.0
   47    49   -55    39   1.63200 -1.0 2.0
   47    64    67    68   0.84100 -1.0 2.0
   49    47    64    61   3.62500 -1.0 2.0
   49    47    64    67   3.62500 -1.0 2.0
   49    53   -60    61   3.62500 -1.0 2.0
   49    53    60    63   3.62500 -1.0 2.0
   53    49    55    39   1.63200 -1.0 2.0
   53    60    61    62   3.62500 -1.0 2.0
   53    60    61    64   3.62500 -1.0 2.0
   53    60    63    65   1.63200 -1.0 2.0
   54    53    60    61   3.62500 -1.0 2.0
   54    53    60    63   3.62500 -1.0 2.0
   60    61   -64    47   3.62500 -1.0 2.0
   60    61    64    67   3.62500 -1.0 2.0
   60    63    65    66   0.08050  1.0 3.0
   60    63    65    69  -0.32850  1.0 1.0
   60    63    65    69  -0.35800 -1.0 2.0
   60    63    65    69   0.33950  1.0 3.0
   60    63    65    83  -0.25600  1.0 1.0
   60    63    65    83  -0.40050 -1.0 2.0
   60    63    65    83   0.34700  1.0 3.0
   61    60    63    65   1.63200 -1.0 2.0
   61    64    67    68   0.84100 -1.0 2.0
   62    61    64    47   3.62500 -1.0 2.0
   62    61    64    67   3.62500 -1.0 2.0
   64    47   -49    53   3.62500 -1.0 2.0
   64    47    49    55   3.62500 -1.0 2.0
   63    60    61    62   3.62500 -1.0 2.0
   63    60    61    64   3.62500 -1.0 2.0
   63    65    69    70   0.23400  1.0 3.0
   63    65    69    71   0.62750  1.0 1.0
   63    65    69    71  -0.30950 -1.0 2.0
   63    65    69    71   0.27300  1.0 3.0
   63    65    69    73   3.69350  1.0 1.0
   63    65    69    73  -1.82950 -1.0 2.0
   63    65    83    79  -0.81800  1.0 1.0
   65    69    71    72   0.15000  1.0 3.0
   65    69    71    75   3.97050  1.0 1.0
   65    69    71    77   0.86500  1.0 1.0
   65    69    71    77  -0.17500 -1.0 2.0
   65    69    71    77   0.20800  1.0 3.0
   65    69    73    74  -0.11600  1.0 1.0
   65    69    73    74  -0.09450 -1.0 2.0
   65    69    73    74   0.21250  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    71   0.15000  1.0 3.0
   66    65    69    73   0.23400  1.0 3.0
   66    65    83    79   0.37050  1.0 3.0
   69    65    83    79   0.06250  1.0 1.0
   69    65    83    79  -0.01100 -1.0 2.0
   69    65    83    79   0.28050  1.0 3.0
   69    71    75    76   0.15000  1.0 3.0
   69    71   -75    79   0.56750  1.0 1.0
   69    71   -75    79  -0.07550 -1.0 2.0
   69    71   -75    79   0.20000  1.0 3.0
   69    71    75    81   0.86500  1.0 1.0
   69    71    75    81  -0.17500 -1.0 2.0
   69    71    75    81   0.20800  1.0 3.0
   69    71    77    78  -0.11600  1.0 1.0
   69    71    77    78  -0.09450 -1.0 2.0
   69    71    77    78   0.21250  1.0 3.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    71    75   0.15000  1.0 3.0
   70    69    71    77   0.23400  1.0 3.0
   70    69    73    74   0.19450  1.0 3.0
   71    69    73    74  -0.11600  1.0 1.0
   71    69    73    74  -0.09450 -1.0 2.0
   71    69    73    74   0.21250  1.0 3.0
   71    75    79    80   0.15000  1.0 3.0
   71    75    79    83   0.62750  1.0 1.0
   71    75    79    83  -0.30950 -1.0 2.0
   71    75    79    83   0.27300  1.0 3.0
   71    75    79    84   0.56750  1.0 1.0
   71    75    79    84  -0.07550 -1.0 2.0
   71    75    79    84   0.20000  1.0 3.0
   71    75    81    82  -0.11600  1.0 1.0
   71    75    81    82  -0.09450 -1.0 2.0
   71    75    81    82   0.21250  1.0 3.0
   72    71    75    76   0.15000  1.0 3.0
   72    71    75    79   0.15000  1.0 3.0
   72    71    75    81   0.23400  1.0 3.0
   72    71    77    78   0.19450  1.0 3.0
   75    71    77    78  -0.11600  1.0 1.0
   75    71    77    78  -0.09450 -1.0 2.0
   75    71    77    78   0.21250  1.0 3.0
   75    79   -83    65   0.06250  1.0 1.0
   75    79   -83    65  -0.01100 -1.0 2.0
   75    79   -83    65   0.28050  1.0 3.0
   75    79    84    85   0.15000  1.0 3.0
   75    79    84    86   0.15000  1.0 3.0
   75    79    84    87   0.86500  1.0 1.0
   75    79    84    87  -0.17500 -1.0 2.0
   75    79    84    87   0.20800  1.0 3.0
   76    75    79    80   0.15000  1.0 3.0
   76    75    79    83   0.23400  1.0 3.0
   76    75    79    84   0.15000  1.0 3.0
   76    75    81    82   0.19450  1.0 3.0
   79    75    81    82  -0.11600  1.0 1.0
   79    75    81    82  -0.09450 -1.0 2.0
   79    75    81    82   0.21250  1.0 3.0
   79    84    87    88  -0.11600  1.0 1.0
   79    84    87    88  -0.09450 -1.0 2.0
   79    84    87    88   0.21250  1.0 3.0
   80    79    83    65   0.37050  1.0 3.0
   80    79    84    85   0.15000  1.0 3.0
   80    79    84    86   0.15000  1.0 3.0
   80    79    84    87   0.23400  1.0 3.0
   83    65    69    70   0.23400  1.0 3.0
   83    65   -69    71   0.62750  1.0 1.0
   83    65   -69    71  -0.30950 -1.0 2.0
   83    65   -69    71   0.27300  1.0 3.0
   83    65    69    73   3.69350  1.0 1.0
   83    65    69    73  -1.82950 -1.0 2.0
   83    79    84    85   0.23400  1.0 3.0
   83    79    84    86   0.23400  1.0 3.0
   83    79    84    87   3.69350  1.0 1.0
   83    79    84    87  -1.82950 -1.0 2.0
   84    79    83    65   0.06250  1.0 1.0
   84    79    83    65  -0.01100 -1.0 2.0
   84    79    83    65   0.28050  1.0 3.0
   85    84    87    88   0.19450  1.0 3.0
   86    84    87    88   0.19450  1.0 3.0
   81    75    79    80   0.23400  1.0 3.0
   81    75    79    83   3.69350  1.0 1.0
   81    75    79    83  -1.82950 -1.0 2.0
   81    75    79    84   0.86500  1.0 1.0
   81    75    79    84  -0.17500 -1.0 2.0
   81    75    79    84   0.20800  1.0 3.0
   77    71    75    76   0.23400  1.0 3.0
   77    71    75    79   0.86500  1.0 1.0
   77    71    75    79  -0.17500 -1.0 2.0
   77    71    75    79   0.20800  1.0 3.0
   77    71    75    81   3.75450  1.0 1.0
   73    69    71    72   0.23400  1.0 3.0
   73    69    71    75   0.86500  1.0 1.0
   73    69    71    75  -0.17500 -1.0 2.0
   73    69    71    75   0.20800  1.0 3.0
   73    69    71    77   3.75450  1.0 1.0
   55    39    43    44   0.30150 -1.0 2.0
   55    39   -43    47   0.65300  1.0 1.0
   55    39   -43    47  -0.03850 -1.0 2.0
   55    39   -43    47   0.33900  1.0 3.0
   55    49    53    54   3.62500 -1.0 2.0
   55    49    53    60   3.62500 -1.0 2.0
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
   37    30    35    36  10.50000 -1.0 2.0
   41    56    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   50    51    48    45   4.00000 -1.0 2.0
   56    58    50    48   4.00000 -1.0 2.0
   50    57    56    38   1.10000 -1.0 2.0
   39    47    43    44  10.50000 -1.0 2.0
   49    64    47    43   4.00000 -1.0 2.0
   53    55    49    47   4.00000 -1.0 2.0
   60    54    53    49   1.10000 -1.0 2.0
   61    63    60    53   4.00000 -1.0 2.0
   64    62    61    60   1.10000 -1.0 2.0
   61    67    64    47   4.00000 -1.0 2.0
END
