* LIGAND DATABASE FILE (OPLS2005)
*
001      88    91    163    264     486
    1     0 S   NP   _N1_     1    29.37833    93.01766   -18.03174
    2     1 S   H    _HN1     2     1.02972   116.51485    46.69953
    3     1 S   H    _H1_     3     1.02834    30.24211   124.82442
    4     1 S   H    _H2_     4     1.02773    77.71517   -57.87964
    5     1 S   CT   _CA1     5     1.50254   125.66774  -166.63383
    6     5 S   HC   _HA1     6     1.09571   105.14651    29.38111
    7     5 S   CO3  _C1_     7     1.53913   112.20259   -90.54396
    8     7 S   O2Z  _O11     8     1.26428   115.02938   -40.18173
    9     7 S   O2Z  _O12     9     1.26256   114.90860   138.43698
   10     5 S   CT   _CB1    10     1.53041   107.25247   147.18138
   11    10 S   HC   HB11    11     1.09819   109.31982   -48.25103
   12    10 S   HC   HB12    12     1.09790   110.32703    68.04957
   13    10 S   CT   _CG1    13     1.53118   113.04251  -169.46935
   14    13 S   HC   HG11    14     1.09421   110.46550   -58.35851
   15    13 S   HC   HG12    15     1.09598   110.37660    60.51758
   16    13 S   C    _CD1    16     1.51875   111.01219   179.66662
   17    16 S   O    _OE1    17     1.22867   122.32664   -35.26883
   18    16 S   N    _N2_    18     1.38510   112.75262   146.05184
   19    18 S   H    _HN2    19     1.01558   119.30479     0.31404
   20    18 S   CT1  _CA2    20     1.46409   123.21615  -177.77983
   21    20 S   HC   _HA2    21     1.09740   109.26059   -13.85986
   22    20 S   C    _C2_    22     1.53402   108.48945  -129.52492
   23    22 S   O    _O2_    23     1.23015   122.29470  -147.04550
   24    20 S   CT   _CB2    32     1.53673   111.51284   108.03339
   25    24 S   HC   HB21    33     1.09262   109.27257    59.54787
   26    24 S   HC   HB22    34     1.09547   110.20242   177.28437
   27    22 S   N    _N3_    24     1.38538   113.36983    40.44045
   28    27 S   H    _HN3    25     1.01529   118.85997    -0.68386
   29    24 S   S    _SG2    35     1.83443   110.91809   -64.05806
   30    27 S   CT   _CA3    26     1.45435   123.42667   175.21652
   31    30 S   HC   HA31    27     1.09526   109.19298    25.22012
   32    30 S   HC   HA32    28     1.09496   107.13001   142.19101
   33    29 S   CT   _C20    36     1.88661   103.59213   149.48009
   34    33 S   OM   _O38    37     1.31931   108.64559    50.57693
   35    30 S   CO3  _C3_    29     1.52918   113.15828   -98.24586
   36    35 S   O2Z  _O31    30     1.26400   115.42370   -44.91125
   37    35 S   O2Z  _O32    31     1.26360   114.98481   136.07583
   38    33 S   CT   _C21    38     1.56639   107.82879   -67.51928
   39    38 S   HC   _H5_    39     1.09900   109.44567    51.53638
   40    33 S   CT   _C19    71     1.60032   110.78419   172.95004
   41    40 S   HC   _H4_    72     1.09649   106.05562   173.63456
   42    38 S   CO4  _C22    40     1.52323   109.24055   -63.98918
   43    42 S   O    _O36    41     1.23250   120.31795   128.77297
   44    40 S   NT   _N5_    73     1.48873   121.23874   -69.15340
   45    38 S   C    _C23    84     1.54171   117.40389   170.03486
   46    45 S   O    _O37    85     1.22689   125.22476    21.79786
   47    42 S   CT   _C16    42     1.52660   117.56136   -54.88430
   48    44 S   CT   _C24    74     1.45279   117.84666    55.11902
   49    48 S   HC   _H17    75     1.09668   109.88963   166.37679
   50    48 S   HC   _H18    76     1.09394   111.91381    49.52102
   51    48 S   HC   _H19    77     1.09421   112.65590   -74.36539
   52    44 S   CT   _C25    78     1.45960   114.37934   -78.43340
   53    52 S   HC   _H20    79     1.09634   110.01138  -164.38799
   54    52 S   HC   _H21    80     1.09377   112.99681    75.52129
   55    52 S   HC   _H22    81     1.09562   111.41600   -47.19311
   56    45 S   N    _N4_    86     1.37951   112.73557  -159.92683
   57    56 S   H    _H15    87     1.01447   122.60150    -0.41543
   58    56 S   H    _H16    88     1.01371   120.26514  -179.33265
   59    47 S   CO4  _C15    43     1.52340   112.02517   -78.79454
   60    59 S   O    _O35    44     1.23087   120.43734   -42.01811
   61    47 S   OH   _O39    82     1.43219   107.18299   167.87168
   62    61 S   HO   _H23    83     0.97699   108.16509    51.01685
   63    59 S   CA   _C7_    45     1.49632   119.93776   139.87628
   64    63 S   CA   _C6_    46     1.39573   119.36567    14.62029
   65    64 S   CA   _C5_    47     1.42260   119.42339   175.39011
   66    64 S   CT   _C18    66     1.51293   119.12870    -2.75335
   67    66 S   HC   _H13    67     1.09782   107.97639    87.09171
   68    66 S   HC   _H14    68     1.09370   111.44032  -156.64614
   69    65 S   CA   _C10    48     1.45017   121.51403    10.31229
   70    65 S   CT   _C4_    62     1.51620   117.32192  -167.64864
   71    70 S   HC   _H6_    63     1.09344   110.77697   -95.51851
   72    70 S   HC   _H7_    64     1.09469   112.16143    25.85654
   73    70 S   HC   _H8_    65     1.09360   110.93755   140.22512
   74    47 S   CT   _C17    69     1.53367   111.49324    50.05270
   75    74 S   HC   _H3_    70     1.09844   107.96484    71.95970
   76    69 S   CA   _C9_    49     1.42980   117.26380   -11.07978
   77    76 S   CA   _C14    50     1.42931   118.65657  -174.93376
   78    63 S   CA   _C8_    59     1.40422   121.20532  -166.58548
   79    77 S   CA   _C13    51     1.39070   122.96260    -2.13396
   80    79 S   HA   _H10    52     1.08594   121.42497  -179.79252
   81    77 S   OH   _O33    57     1.37599   120.43958   177.85835
   82    81 S   HO   _H11    58     0.97160   109.65212   179.58035
   83    78 S   OH   _O34    60     1.37804   119.86486     0.76974
   84    83 S   HO   _H12    61     0.97220   110.13307    -3.69470
   85    79 S   CA   _C12    53     1.37677   119.04823    -1.61580
   86    85 S   HA   _H9_    54     1.08773   118.82560  -176.98351
   87    69 S   CA   _C11    55     1.44314   126.57951   168.68344
   88    87 S   Cl   Cl1_    56     1.74027   124.14114   -10.30905
  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  10   5   4   3
  17   8   2   1   1  15   7  21   7  13   5  12   5   3  12   8
   3   2   1   4   2   1   1   2   1   1  12   5   5   1  13  15
  15   7   3   2  14   5   2   1   1   1   1  11   9   5   7   4
   2   1   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    74    40    41    44    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    47    66    74    75    40    41    44    48    52    45    46    56  
   38    39    42    74    40    41    44    45  
   36    37  
   37  
    0  
   39    42    43    47    59    74    40    41    44    61    45    46    56    57    58  
   42    43    47    40    45    46    56  
   41    44    48    49    50    51    52    53    54    55    61    45    42    47    59    64    66    67    68    74    75  
   44    48    52    47    66    74    75  
   43    47    59    60    63    66    74    75    61    62    45    46    56  
   47    59    74    61    45  
   48    49    50    51    52    53    54    55    47    66    74    75  
   46    56    57    58    47  
   56    57    58  
   59    60    63    64    78    66    67    68    74    75    61    62  
   49    50    51    52    53    54    55    74  
   50    51    52  
   51    52  
   52  
   53    54    55    74  
   54    55  
   55  
    0  
   57    58  
   58  
    0  
   60    63    64    65    76    78    83    66    74    75    61    62  
   63    64    78    74    61  
   62    63    66    74    75  
   74  
   64    65    69    76    77    78    83    84    70    66    67    68    74  
   65    69    76    87    78    83    70    71    72    73    66    67    68    74    75  
   69    76    77    85    87    88    78    70    71    72    73    66    67    68    74  
   67    68    74    75    69    70    78  
   68    74    75  
   74    75  
   76    77    79    85    86    87    88    81    78    83    70    71    72    73  
   71    72    73    76    87  
   72    73  
   73  
    0  
   75  
    0  
   77    79    80    85    87    88    81    82    78    83    84  
   79    80    85    86    87    81    82    78    83  
   83    84    79    81    87  
   80    85    86    87    88    81    82  
   85    86    87    81  
   82    85  
    0  
   84  
    0  
   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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   45   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   47   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   57   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   58   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   59   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660  -0.005000   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   78   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   87   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   88   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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   570.000  1.307
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    45   317.000  1.522
   42    43   570.000  1.229
   42    47   317.000  1.522
   47    59   317.000  1.522
   47    74   268.000  1.529
   47    61   320.000  1.410
   59    60   570.000  1.229
   59    63   310.000  1.470
   63    64   469.000  1.400
   63    78   469.000  1.400
   64    65   469.000  1.400
   64    66   317.000  1.510
   65    69   469.000  1.400
   65    70   317.000  1.510
   69    76   469.000  1.400
   69    87   469.000  1.400
   76    77   469.000  1.400
   76    78   469.000  1.400
   77    79   469.000  1.400
   77    81   450.000  1.364
   79    80   367.000  1.080
   79    85   469.000  1.400
   85    86   367.000  1.080
   85    87   469.000  1.400
   87    88   300.000  1.725
   81    82   553.000  0.945
   78    83   450.000  1.364
   83    84   553.000  0.945
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    74   268.000  1.529
   74    75   340.000  1.090
   74    40   268.000  1.529
   40    41   340.000  1.090
   40    44   382.000  1.448
   44    48   382.000  1.448
   44    52   382.000  1.448
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   61    62   553.000  0.945
   45    46   570.000  1.229
   45    56   490.000  1.335
   56    57   434.000  1.010
   56    58   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    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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    38    45    63.00000  111.10000
   33    40    74    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    56.20000  109.47000
   38    33    34    50.00000  109.50000
   38    42    43    80.00000  120.40000
   38    42    47    70.00000  116.00000
   38    45    46    80.00000  120.40000
   38    45    56    70.00000  116.60000
   42    38    39    35.00000  109.50000
   42    47    59    75.00000  107.99600
   42    47    74    63.00000  111.10000
   42    47    61    90.00000  109.61100
   47    42    43    80.00000  120.40000
   47    59    60    80.00000  120.40000
   47    59    63    65.00000  115.47100
   47    74    66    58.35000  112.70000
   47    74    75    37.50000  110.70000
   47    74    40    58.35000  112.70000
   47    61    62    55.00000  108.50000
   59    63    64    60.00000  119.52600
   59    63    78    60.00000  119.52600
   63    59    60    75.00000  123.78400
   63    64    65    63.00000  120.00000
   63    64    66    70.00000  120.00000
   63    78    76    63.00000  120.00000
   63    78    83    70.00000  120.00000
   64    65    69    63.00000  120.00000
   64    65    70    70.00000  120.00000
   64    66    67    35.00000  109.50000
   64    66    68    35.00000  109.50000
   64    66    74    70.00000  112.17500
   65    69    76    63.00000  120.00000
   65    69    87    63.00000  120.00000
   65    70    71    35.00000  109.50000
   65    70    72    35.00000  109.50000
   65    70    73    35.00000  109.50000
   69    76    77    63.00000  120.00000
   69    76    78    63.00000  120.00000
   69    87    85    63.00000  120.00000
   69    87    88    75.00000  120.00000
   76    77    79    63.00000  120.00000
   76    77    81    70.00000  120.00000
   76    78    83    70.00000  120.00000
   77    79    80    35.00000  120.00000
   77    79    85    63.00000  120.00000
   77    81    82    35.00000  113.00000
   79    85    86    35.00000  120.00000
   79    85    87    63.00000  120.00000
   85    79    80    35.00000  120.00000
   85    87    88    75.00000  120.00000
   87    69    76    63.00000  120.00000
   87    85    86    35.00000  120.00000
   81    77    79    70.00000  120.00000
   78    63    64    63.00000  120.00000
   78    76    77    63.00000  120.00000
   78    83    84    35.00000  113.00000
   70    65    69    70.00000  120.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   66    64    65    70.00000  120.00000
   66    74    75    37.50000  110.70000
   66    74    40    58.35000  112.70000
   68    66    67    33.00000  107.80000
   74    47    59    63.00000  111.10000
   74    66    67    37.50000  110.70000
   74    66    68    37.50000  110.70000
   74    40    41    37.50000  110.70000
   74    40    44    56.20000  109.47000
   40    33    34    50.00000  109.50000
   40    33    38    58.35000  112.70000
   40    74    75    37.50000  110.70000
   40    44    48    51.80000  107.20000
   40    44    52    51.80000  107.20000
   44    40    41    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    51    35.00000  109.50000
   44    52    53    35.00000  109.50000
   44    52    54    35.00000  109.50000
   44    52    55    35.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   52    44    48    51.80000  107.20000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   61    47    59    90.00000  109.61100
   61    47    74    50.00000  109.50000
   45    38    39    35.00000  109.50000
   45    38    42    70.00000  107.85200
   45    56    57    35.00000  119.80000
   45    56    58    35.00000  119.80000
   56    45    46    80.00000  122.90000
   58    56    57    35.00000  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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   29    33    40    74   0.44750  1.0 1.0
   29    33    40    74  -0.17800 -1.0 2.0
   29    33    40    74   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    47   0.60050  1.0 1.0
   33    38    42    47   0.05600 -1.0 2.0
   33    38    42    47   0.26150  1.0 3.0
   33    38    45    46   0.30150 -1.0 2.0
   33    38    45    56   1.39750  1.0 1.0
   33    38    45    56  -0.07950 -1.0 2.0
   33    38    45    56  -0.18750  1.0 3.0
   33    40    44    48   0.23450  1.0 1.0
   33    40    44    48   0.02050 -1.0 2.0
   33    40    44    48   0.25250  1.0 3.0
   33    40    44    52   0.23450  1.0 1.0
   33    40    44    52   0.02050 -1.0 2.0
   33    40    44    52   0.25250  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    42  -0.09450  1.0 1.0
   34    33    38    42  -1.12950 -1.0 2.0
   34    33    38    42   0.54000  1.0 3.0
   34    33    38    45  -0.09450  1.0 1.0
   34    33    38    45  -1.12950 -1.0 2.0
   34    33    38    45   0.54000  1.0 3.0
   34    33    40    74   0.62750  1.0 1.0
   34    33    40    74  -0.30950 -1.0 2.0
   34    33    40    74   0.27300  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   1.74050  1.0 1.0
   38    33    40    74   0.56750  1.0 1.0
   38    33    40    74  -0.07550 -1.0 2.0
   38    33    40    74   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   1.85550  1.0 1.0
   38    33    40    44  -0.84100 -1.0 2.0
   38    42    47    59   0.65300  1.0 1.0
   38    42    47    59  -0.03850 -1.0 2.0
   38    42    47    59   0.33900  1.0 3.0
   38    42   -47    74   0.60050  1.0 1.0
   38    42   -47    74   0.05600 -1.0 2.0
   38    42   -47    74   0.26150  1.0 3.0
   38    42    47    61   0.55300  1.0 1.0
   38    42    47    61   1.25850 -1.0 2.0
   38    42    47    61  -0.23600  1.0 3.0
   38    45    56    57   2.45000 -1.0 2.0
   38    45    56    58   2.45000 -1.0 2.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    47   0.00000  1.0 1.0
   39    38    45    46   0.00000  1.0 1.0
   39    38    45    56   0.00000  1.0 1.0
   42    38    45    46   0.30150 -1.0 2.0
   42    38    45    56   0.00000  1.0 1.0
   42    47    59    60   0.30150 -1.0 2.0
   42    47    59    63   0.65300  1.0 1.0
   42    47    59    63  -0.03850 -1.0 2.0
   42    47    59    63   0.33900  1.0 3.0
   42    47    74    66  -0.95700  1.0 1.0
   42    47    74    66  -0.18200 -1.0 2.0
   42    47    74    66   0.29450  1.0 3.0
   42    47    74    75  -0.11250  1.0 3.0
   42    47    74    40  -0.95700  1.0 1.0
   42    47    74    40  -0.18200 -1.0 2.0
   42    47    74    40   0.29450  1.0 3.0
   42    47    61    62   0.91850  1.0 1.0
   42    47    61    62   0.57950  1.0 3.0
   43    42    47    59   0.30150 -1.0 2.0
   43    42    47    74   0.30150 -1.0 2.0
   43    42    47    61   0.30150 -1.0 2.0
   47    59    63    64   2.26350  1.0 1.0
   47    59    63    64   0.76750 -1.0 2.0
   47    59    63    64   0.22500  1.0 3.0
   47    59    63    78   2.26350  1.0 1.0
   47    59    63    78   0.76750 -1.0 2.0
   47    59    63    78   0.22500  1.0 3.0
   47    74   -40    33   0.56750  1.0 1.0
   47    74   -40    33  -0.07550 -1.0 2.0
   47    74   -40    33   0.20000  1.0 3.0
   47    74    40    41   0.15000  1.0 3.0
   47    74    40    44   1.85550  1.0 1.0
   47    74    40    44  -0.84100 -1.0 2.0
   59    47    74    66  -0.95700  1.0 1.0
   59    47    74    66  -0.18200 -1.0 2.0
   59    47    74    66   0.29450  1.0 3.0
   59    47    74    75  -0.11250  1.0 3.0
   59    47    74    40  -0.95700  1.0 1.0
   59    47    74    40  -0.18200 -1.0 2.0
   59    47    74    40   0.29450  1.0 3.0
   59    47    61    62   0.91850  1.0 1.0
   59    47    61    62   0.57950  1.0 3.0
   59    63    64    65   3.62500 -1.0 2.0
   59    63   -64    66   3.62500 -1.0 2.0
   59    63    78    76   3.62500 -1.0 2.0
   59    63    78    83   3.62500 -1.0 2.0
   60    59    63    64   1.05000 -1.0 2.0
   60    59    63    78   1.05000 -1.0 2.0
   63    64    65    69   3.62500 -1.0 2.0
   63    64    65    70   3.62500 -1.0 2.0
   63    64    66    67   0.00000  1.0 1.0
   63    64    66    68   0.00000  1.0 1.0
   63    64    66    74   0.04150 -1.0 2.0
   63    78    83    84   0.84100 -1.0 2.0
   64    63    78    76   3.62500 -1.0 2.0
   64    63    78    83   3.62500 -1.0 2.0
   64    65   -69    76   3.62500 -1.0 2.0
   64    65    69    87   3.62500 -1.0 2.0
   64    65    70    71   0.00000  1.0 1.0
   64    65    70    72   0.00000  1.0 1.0
   64    65    70    73   0.00000  1.0 1.0
   64    66   -74    47  -0.03700  1.0 1.0
   64    66   -74    47   0.37200 -1.0 2.0
   64    66   -74    47  -0.47300  1.0 3.0
   64    66    74    75   0.43200  1.0 3.0
   64    66    74    40  -0.03700  1.0 1.0
   64    66    74    40   0.37200 -1.0 2.0
   64    66    74    40  -0.47300  1.0 3.0
   65    64    66    67   0.00000  1.0 1.0
   65    64    66    68   0.00000  1.0 1.0
   65    64    66    74   0.04150 -1.0 2.0
   65    69    76    77   3.62500 -1.0 2.0
   65    69    76    78   3.62500 -1.0 2.0
   65    69    87    85   3.62500 -1.0 2.0
   65    69    87    88   3.62500 -1.0 2.0
   69    65    70    71   0.00000  1.0 1.0
   69    65    70    72   0.00000  1.0 1.0
   69    65    70    73   0.00000  1.0 1.0
   69    76    77    79   3.62500 -1.0 2.0
   69    76    77    81   3.62500 -1.0 2.0
   69    76   -78    63   3.62500 -1.0 2.0
   69    76    78    83   3.62500 -1.0 2.0
   76    69    87    85   3.62500 -1.0 2.0
   76    69    87    88   3.62500 -1.0 2.0
   76    77    79    80   3.62500 -1.0 2.0
   76    77   -79    85   3.62500 -1.0 2.0
   76    77    81    82   0.84100 -1.0 2.0
   76    78    83    84   0.84100 -1.0 2.0
   77    76    78    63   3.62500 -1.0 2.0
   77    76    78    83   3.62500 -1.0 2.0
   77    79    85    86   3.62500 -1.0 2.0
   77    79    85    87   3.62500 -1.0 2.0
   79    77    81    82   0.84100 -1.0 2.0
   79    85   -87    69   3.62500 -1.0 2.0
   79    85    87    88   3.62500 -1.0 2.0
   80    79    85    86   3.62500 -1.0 2.0
   80    79    85    87   3.62500 -1.0 2.0
   86    85    87    69   3.62500 -1.0 2.0
   86    85    87    88   3.62500 -1.0 2.0
   87    69   -76    77   3.62500 -1.0 2.0
   87    69    76    78   3.62500 -1.0 2.0
   81    77    79    80   3.62500 -1.0 2.0
   81    77    79    85   3.62500 -1.0 2.0
   78    63   -64    65   3.62500 -1.0 2.0
   78    63    64    66   3.62500 -1.0 2.0
   78    76    77    79   3.62500 -1.0 2.0
   78    76    77    81   3.62500 -1.0 2.0
   70    65    69    76   3.62500 -1.0 2.0
   70    65    69    87   3.62500 -1.0 2.0
   66    64    65    69   3.62500 -1.0 2.0
   66    64    65    70   3.62500 -1.0 2.0
   66    74    40    33   0.56750  1.0 1.0
   66    74    40    33  -0.07550 -1.0 2.0
   66    74    40    33   0.20000  1.0 3.0
   66    74    40    41   0.15000  1.0 3.0
   66    74    40    44   1.85550  1.0 1.0
   66    74    40    44  -0.84100 -1.0 2.0
   67    66    74    47   0.15000  1.0 3.0
   67    66    74    75   0.15000  1.0 3.0
   67    66    74    40   0.15000  1.0 3.0
   68    66    74    47   0.15000  1.0 3.0
   68    66    74    75   0.15000  1.0 3.0
   68    66    74    40   0.15000  1.0 3.0
   74    47    59    60   0.30150 -1.0 2.0
   74    47   -59    63   0.05850 -1.0 2.0
   74    47   -59    63   0.17250  1.0 3.0
   74    47    61    62  -0.11600  1.0 1.0
   74    47    61    62  -0.09450 -1.0 2.0
   74    47    61    62   0.21250  1.0 3.0
   74    40    44    48   0.23450  1.0 1.0
   74    40    44    48   0.02050 -1.0 2.0
   74    40    44    48   0.25250  1.0 3.0
   74    40    44    52   0.23450  1.0 1.0
   74    40    44    52   0.02050 -1.0 2.0
   74    40    44    52   0.25250  1.0 3.0
   75    74    40    33   0.15000  1.0 3.0
   75    74    40    41   0.15000  1.0 3.0
   75    74    40    44   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42  -0.95700  1.0 1.0
   40    33   -38    42  -0.18200 -1.0 2.0
   40    33   -38    42   0.29450  1.0 3.0
   40    33    38    45  -0.95700  1.0 1.0
   40    33    38    45  -0.18200 -1.0 2.0
   40    33    38    45   0.29450  1.0 3.0
   40    44    48    49   0.28000  1.0 3.0
   40    44    48    50   0.28000  1.0 3.0
   40    44    48    51   0.28000  1.0 3.0
   40    44    52    53   0.28000  1.0 3.0
   40    44    52    54   0.28000  1.0 3.0
   40    44    52    55   0.28000  1.0 3.0
   41    40    44    48   0.28000  1.0 3.0
   41    40    44    52   0.28000  1.0 3.0
   48    44    52    53   0.28000  1.0 3.0
   48    44    52    54   0.28000  1.0 3.0
   48    44    52    55   0.28000  1.0 3.0
   52    44    48    49   0.28000  1.0 3.0
   52    44    48    50   0.28000  1.0 3.0
   52    44    48    51   0.28000  1.0 3.0
   61    47    59    60   0.30150 -1.0 2.0
   61    47    59    63   0.65300  1.0 1.0
   61    47    59    63  -0.03850 -1.0 2.0
   61    47    59    63   0.33900  1.0 3.0
   61    47    74    66   0.86500  1.0 1.0
   61    47    74    66  -0.17500 -1.0 2.0
   61    47    74    66   0.20800  1.0 3.0
   61    47    74    75   0.23400  1.0 3.0
   61    47    74    40   0.86500  1.0 1.0
   61    47    74    40  -0.17500 -1.0 2.0
   61    47    74    40   0.20800  1.0 3.0
   45    38    42    43   0.30150 -1.0 2.0
   45    38    42    47   0.65300  1.0 1.0
   45    38    42    47  -0.03850 -1.0 2.0
   45    38    42    47   0.33900  1.0 3.0
   46    45    56    57   2.45000 -1.0 2.0
   46    45    56    58   2.45000 -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
   38    47    42    43  10.50000 -1.0 2.0
   47    63    59    60  10.50000 -1.0 2.0
   64    78    63    59   4.00000 -1.0 2.0
   65    66    64    63   4.00000 -1.0 2.0
   69    70    65    64   4.00000 -1.0 2.0
   76    87    69    65   4.00000 -1.0 2.0
   77    78    76    69   4.00000 -1.0 2.0
   79    81    77    76   4.00000 -1.0 2.0
   85    80    79    77   1.10000 -1.0 2.0
   87    86    85    79   1.10000 -1.0 2.0
   85    88    87    69   4.00000 -1.0 2.0
   76    83    78    63   4.00000 -1.0 2.0
   38    56    45    46  10.50000 -1.0 2.0
   58    45    56    57   1.00000 -1.0 2.0
END
