* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    163    251     483
    1     0 S   NP   _N1_     1    28.76161    94.71281   -21.56660
    2     1 S   H    _HN1     2     1.02948    84.00107    28.48898
    3     1 S   H    _H1_     3     1.02830    32.95982   163.10907
    4     1 S   H    _H2_     4     1.02776    94.02738   -79.61603
    5     1 S   CT   _CA1     5     1.50145   142.59700   144.51506
    6     5 S   HC   _HA1     6     1.09579   105.12865    69.79927
    7     5 S   CO3  _C1_     7     1.53720   112.55634   -50.19219
    8     7 S   O2Z  _O11     8     1.26365   114.98814   -38.18560
    9     7 S   O2Z  _O12     9     1.26225   115.00984   140.92254
   10     5 S   CT   _CB1    10     1.53114   107.40748  -172.28688
   11    10 S   HC   HB11    11     1.09814   109.11549   -49.58865
   12    10 S   HC   HB12    12     1.09811   110.55377    67.00498
   13    10 S   CT   _CG1    13     1.52970   112.64242  -170.68124
   14    13 S   HC   HG11    14     1.09575   110.46859   -67.84721
   15    13 S   HC   HG12    15     1.09584   109.66061    51.24730
   16    13 S   C    _CD1    16     1.51852   112.53197   171.03601
   17    16 S   O    _OE1    17     1.22726   123.29927    -3.94620
   18    16 S   N    _N2_    18     1.38636   111.69199   176.65766
   19    18 S   H    _HN2    19     1.01565   118.89250    -1.36945
   20    18 S   CT1  _CA2    20     1.46282   123.53616   178.50642
   21    20 S   HC   _HA2    21     1.09698   109.32511    -8.15724
   22    20 S   C    _C2_    22     1.53391   108.40696  -124.18129
   23    22 S   O    _O2_    23     1.23038   122.25864  -150.02964
   24    20 S   CT   _CB2    32     1.53428   111.64367   114.02006
   25    24 S   HC   HB21    33     1.09340   109.33880    63.39613
   26    24 S   HC   HB22    34     1.09527   110.53309  -178.88741
   27    22 S   N    _N3_    24     1.38279   113.66588    36.84732
   28    27 S   H    _HN3    25     1.01643   119.42985    -2.14037
   29    24 S   S    _SG2    35     1.82576   111.31634   -59.20896
   30    27 S   CT   _CA3    26     1.45262   123.20469   178.24309
   31    30 S   HC   HA31    27     1.09535   107.46166   -68.00077
   32    30 S   HC   HA32    28     1.09569   108.04942    48.50928
   33    29 S   CT   _C17    36     1.83070   100.59566   145.23236
   34    33 S   HC   _H3_    37     1.09574   104.21656    69.57955
   35    30 S   CO3  _C3_    29     1.52928   114.06567   170.53947
   36    35 S   O2Z  _O31    30     1.26369   116.03506     1.85773
   37    35 S   O2Z  _O32    31     1.26401   114.41109  -177.88678
   38    33 S   CT   _C9_    38     1.53661   114.56399  -172.65762
   39    38 S   HC   _H33    39     1.10277   105.41919  -168.31124
   40    33 S   OS   _O20    52     1.43080   114.99788   -44.86601
   41    38 S   CT   _C10    40     1.53745   113.80866    78.87674
   42    41 S   HC   _H34    41     1.10326   106.37315   158.89534
   43    38 S   CO4  _C6_    81     1.52421   114.01198   -54.70039
   44    43 S   O    _O18    82     1.22321   125.21669   128.63562
   45    41 S   CT   _C7_    42     1.53750   118.72249   -82.36062
   46    45 S   HC   _H30    43     1.09035   114.52731    35.36818
   47    45 S   HC   _H31    44     1.09438   111.04356   -88.21498
   48    43 S   OS   _O26    83     1.36668   109.69240   -53.57388
   49    45 S   CM   _C4_    45     1.49251   102.11624   154.16632
   50    49 S   HC   _H29    46     1.08085   123.27388   164.54258
   51    48 S   CT   _C18    84     1.43065   115.34087  -179.42054
   52    51 S   HC   _H42    85     1.09326   108.09290  -178.93046
   53    51 S   HC   _H43    86     1.09415   110.25245    62.38930
   54    51 S   HC   _H44    87     1.09425   110.31740   -60.25368
   55    49 S   CM   _C5_    47     1.33943   111.99109   -16.65014
   56    41 S   CT   _C8_    48     1.54445   112.90922    41.42118
   57    56 S   HC   _H32    49     1.09760   108.47710    85.79384
   58    55 S   CT   _C19    76     1.48896   125.99603  -178.92954
   59    58 S   HC   _H45    77     1.09409   110.67467   114.53974
   60    58 S   HC   _H46    78     1.09457   111.35526    -6.12119
   61    56 S   CO   _C15    50     1.53823   114.43951   -37.40520
   62    61 S   HC   _H39    51     1.09548   111.00902   -78.41797
   63    58 S   OH   _O24    79     1.42061   109.33851  -125.50847
   64    63 S   HO   _H52    80     0.97220   106.79158  -179.08914
   65    61 S   OS1  _O27    53     1.43515   106.58170   163.82404
   66    65 S   CO1  _C16    54     1.43293   114.08655   170.96299
   67    66 S   HC   _H40    55     1.09696   109.54310    41.31588
   68    66 S   CT   _C13    56     1.53444   106.37053   159.89711
   69    68 S   HC   _H37    57     1.09692   110.03807    52.45016
   70    68 S   CT   _C11    58     1.52768   111.35066   174.59180
   71    70 S   HC   _H35    59     1.09659   110.47039    72.14678
   72    68 S   OH5  _O23    74     1.43020   109.88534   -64.22115
   73    72 S   HO   _H51    75     0.97225   108.20045   -59.65195
   74    70 S   CT   _C12    60     1.52851   110.76251   -50.58406
   75    74 S   HC   _H36    61     1.09650   108.67690   -70.78659
   76    70 S   OH5  _O21    72     1.42953   109.64640  -171.74493
   77    76 S   HO   _H49    73     0.97249   108.10526    60.98725
   78    74 S   CT   _C14    62     1.53485   110.69843    50.91505
   79    78 S   HC   _H38    63     1.09813   110.14926    64.70965
   80    74 S   OH5  _O22    70     1.42672   109.57925   172.65957
   81    80 S   HO   _H50    71     0.97242   108.25704   -59.77450
   82    66 S   OS1  _O19    64     1.43008   110.78150   -79.81715
   83    78 S   CT   _C20    65     1.53230   111.82669  -176.15122
   84    83 S   HC   _H47    66     1.09427   110.94770   -62.78133
   85    83 S   HC   _H48    67     1.09196   110.46283   176.44097
   86    83 S   OH5  _O25    68     1.42277   110.62141    57.55890
   87    86 S   HO   _H53    69     0.97259   106.92410   178.21337
  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   8   5   4   3
  14   6   2   1   1  16   8   9  16   9   8   2   9   5   4   4
   9   3   3   2   1   1  10   9   4   5   3   2   6   2   1   1
   8  13   6  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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    61    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    45    56    61    62    40    65    43    44    48  
   38    39    41    61    40    43  
   36    37  
   37  
    0  
   39    41    42    45    46    47    49    55    56    57    61    40    43    44    48    51  
   41    42    45    56    40    43    44    48  
   65    66    43    41    55    56    57    61    62  
   42    45    46    47    49    50    55    56    57    61    62    65    58    43    44    48  
   45    46    47    49    55    56    57    61    43  
   44    48    51    52    53    54    45    56  
   48    51  
   46    47    49    50    55    56    57    61    58  
   47    49    50    55    56  
   49    50    55    56  
   51    52    53    54  
   50    55    56    57    61    58    59    60    63  
   55    56    58  
   52    53    54  
   53    54  
   54  
    0  
   56    57    61    62    65    58    59    60    63    64  
   57    61    62    65    66    58    59    60    63  
   61    62    65    58  
   59    60    63    64    61  
   60    63    64  
   63    64  
   62    65    66    67    68    82  
   65    66  
   64  
    0  
   66    67    68    69    70    78    82    72  
   67    68    69    70    71    74    78    79    82    83    76    72    73  
   68    69    70    78    82    72  
   69    70    71    74    75    78    82    80    76    77    72    73  
   70    71    74    82    76    72    73  
   71    74    75    78    79    82    83    80    81    76    77    72    73  
   74    75    78    80    76    77    72  
   73    74    76    82  
    0  
   75    78    79    82    83    84    85    86    80    81    76    77  
   78    79    82    83    80    81    76  
   77    78    80  
    0  
   79    82    83    84    85    86    87    80    81  
   82    83    84    85    86    80  
   81    82    83  
    0  
   83    84    85    86  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   82   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    43   317.000  1.522
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    56   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    49   317.000  1.510
   49    50   340.000  1.080
   49    55   549.000  1.340
   55    56   317.000  1.510
   55    58   317.000  1.510
   56    57   340.000  1.090
   56    61   250.000  1.527
   61    62   340.000  1.090
   61    40   320.000  1.380
   61    65   320.000  1.380
   65    66   370.000  1.399
   66    67   360.000  1.097
   66    68   255.000  1.525
   66    82   370.000  1.399
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    72   355.000  1.421
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    76   355.000  1.421
   74    75   340.000  1.090
   74    78   268.000  1.529
   74    80   355.000  1.421
   78    79   340.000  1.090
   78    82   335.000  1.422
   78    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   355.000  1.421
   86    87   580.000  0.967
   80    81   580.000  0.967
   76    77   580.000  0.967
   72    73   580.000  0.967
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   320.000  1.410
   63    64   553.000  0.945
   43    44   570.000  1.229
   43    48   214.000  1.327
   48    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    43    63.00000  111.10000
   33    40    61    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    45    58.35000  112.70000
   38    41    56    58.35000  112.70000
   38    43    44    80.00000  120.40000
   38    43    48    81.00000  111.40000
   41    38    39    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    49    70.00000  112.02700
   41    56    55    70.00000  112.02700
   41    56    57    37.50000  110.70000
   41    56    61    75.00000  109.43000
   45    41    42    37.50000  110.70000
   45    49    50    35.00000  117.00000
   45    49    55    70.00000  124.00000
   47    45    46    33.00000  107.80000
   49    45    46    35.00000  109.50000
   49    45    47    35.00000  109.50000
   49    55    56    70.00000  124.00000
   49    55    58    70.00000  124.00000
   55    49    50    35.00000  120.00000
   55    56    57    35.00000  109.50000
   55    56    61    70.00000  112.02700
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    63    90.00000  110.39200
   56    41    42    37.50000  110.70000
   56    41    45    58.35000  112.70000
   56    61    62    45.00000  112.01100
   56    61    40    90.00000  108.56700
   56    61    65    90.00000  108.56700
   61    56    57    45.00000  108.72000
   61    65    66    90.00000  112.10700
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
   40    61    62    35.00000  109.50000
   65    61    62    35.00000  109.50000
   65    61    40    92.60000  111.55000
   65    66    67    60.00000  105.75400
   65    66    68    90.00000  109.70700
   65    66    82   110.00000  113.16000
   66    68    69    45.00000  109.54000
   66    68    70    70.00000  111.10000
   66    68    72    90.00000  109.42000
   66    82    78    90.00000  112.10700
   68    66    67    45.00000  111.65000
   68    70    71    37.50000  110.70000
   68    70    74    58.35000  112.70000
   68    70    76    90.00000  111.45300
   68    72    73    65.00000  108.53500
   70    68    69    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    78    58.35000  112.70000
   70    74    80    90.00000  111.45300
   70    76    77    65.00000  108.53500
   74    70    71    37.50000  110.70000
   74    78    79    37.50000  110.70000
   74    78    82    95.00000  107.88500
   74    78    83    58.35000  112.70000
   74    80    81    65.00000  108.53500
   78    74    75    37.50000  110.70000
   78    83    84    37.50000  110.70000
   78    83    85    37.50000  110.70000
   78    83    86    90.00000  111.45300
   82    66    67    60.00000  105.75400
   82    66    68    90.00000  109.70700
   82    78    79    55.00000  108.98800
   83    78    79    37.50000  110.70000
   83    78    82    95.00000  107.88500
   83    86    87    65.00000  108.53500
   85    83    84    33.00000  107.80000
   86    83    84    60.00000  109.39000
   86    83    85    60.00000  109.39000
   80    74    75    60.00000  109.39000
   80    74    78    90.00000  111.45300
   76    70    71    60.00000  109.39000
   76    70    74    90.00000  111.45300
   72    68    69    60.00000  109.39000
   72    68    70    90.00000  111.45300
   58    55    56    65.00000  117.92700
   58    63    64    55.00000  108.50000
   60    58    59    33.00000  107.80000
   63    58    59    35.00000  109.50000
   63    58    60    35.00000  109.50000
   43    38    39    35.00000  109.50000
   43    38    41    63.00000  111.10000
   43    48    51    83.00000  116.90000
   48    43    44    83.00000  123.40000
   48    51    52    35.00000  109.50000
   48    51    53    35.00000  109.50000
   48    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.01700  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   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    40    61   0.14700  1.0 1.0
   29    33    40    61  -1.16150 -1.0 2.0
   29    33    40    61   0.48700  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    45   0.56750  1.0 1.0
   33    38    41    45  -0.07550 -1.0 2.0
   33    38    41    45   0.20000  1.0 3.0
   33    38    41    56   0.56750  1.0 1.0
   33    38    41    56  -0.07550 -1.0 2.0
   33    38    41    56   0.20000  1.0 3.0
   33    38    43    44   0.30150 -1.0 2.0
   33    38    43    48   0.36750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    43  -0.11250  1.0 3.0
   34    33    40    61   0.37050  1.0 3.0
   38    33    40    61   0.06250  1.0 1.0
   38    33    40    61  -0.01100 -1.0 2.0
   38    33    40    61   0.28050  1.0 3.0
   38    41    45    46   0.15000  1.0 3.0
   38    41    45    47   0.15000  1.0 3.0
   38    41    45    49   0.34400  1.0 1.0
   38    41    45    49   0.09450 -1.0 2.0
   38    41    45    49   0.11100  1.0 3.0
   38    41    56    55   0.34400  1.0 1.0
   38    41    56    55   0.09450 -1.0 2.0
   38    41    56    55   0.11100  1.0 3.0
   38    41    56    57   0.15000  1.0 3.0
   38    41   -56    61   3.97050  1.0 1.0
   38    43    48    51   1.63150  1.0 1.0
   38    43    48    51   2.92000 -1.0 2.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    45   0.15000  1.0 3.0
   39    38    41    56   0.15000  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    48   0.00000  1.0 1.0
   41    38    43    44   0.30150 -1.0 2.0
   41    38    43    48   0.36750  1.0 3.0
   41    45    49    50   0.00000  1.0 1.0
   41    45   -49    55   0.09850  1.0 1.0
   41    45   -49    55   0.15250 -1.0 2.0
   41    45   -49    55  -0.50650  1.0 3.0
   41    56    61    62   0.15000  1.0 3.0
   41    56    61    40   0.62750  1.0 1.0
   41    56    61    40  -0.30950 -1.0 2.0
   41    56    61    40   0.27300  1.0 3.0
   41    56    61    65   0.62750  1.0 1.0
   41    56    61    65  -0.30950 -1.0 2.0
   41    56    61    65   0.27300  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    47   0.15000  1.0 3.0
   42    41    45    49   0.15000  1.0 3.0
   42    41    56    55   0.15000  1.0 3.0
   42    41    56    57   0.15000  1.0 3.0
   42    41    56    61   0.15000  1.0 3.0
   45    41   -56    55   0.34400  1.0 1.0
   45    41   -56    55   0.09450 -1.0 2.0
   45    41   -56    55   0.11100  1.0 3.0
   45    41    56    57   0.15000  1.0 3.0
   45    41    56    61   3.97050  1.0 1.0
   45    49   -55    56   7.00000 -1.0 2.0
   45    49    55    58   7.00000 -1.0 2.0
   46    45    49    50   0.33100  1.0 3.0
   46    45    49    55   0.00000  1.0 1.0
   47    45    49    50   0.33100  1.0 3.0
   47    45    49    55   0.00000  1.0 1.0
   49    55   -56    41   0.09850  1.0 1.0
   49    55   -56    41   0.15250 -1.0 2.0
   49    55   -56    41  -0.50650  1.0 3.0
   49    55    56    57   0.00000  1.0 1.0
   49    55    56    61   0.09850  1.0 1.0
   49    55    56    61   0.15250 -1.0 2.0
   49    55    56    61  -0.50650  1.0 3.0
   49    55    58    59   0.00000  1.0 1.0
   49    55    58    60   0.00000  1.0 1.0
   49    55    58    63   0.67800  1.0 1.0
   49    55    58    63   0.47050 -1.0 2.0
   49    55    58    63  -0.62500  1.0 3.0
   50    49    55    56   7.00000 -1.0 2.0
   50    49    55    58   7.00000 -1.0 2.0
   55    56    61    62   0.15000  1.0 3.0
   55    56    61    40   0.61850  1.0 1.0
   55    56    61    40  -0.22750 -1.0 2.0
   55    56    61    40   0.15300  1.0 3.0
   55    56    61    65   0.61850  1.0 1.0
   55    56    61    65  -0.22750 -1.0 2.0
   55    56    61    65   0.15300  1.0 3.0
   55    58    63    64  -0.07800  1.0 1.0
   55    58    63    64  -0.21500 -1.0 2.0
   55    58    63    64  -0.03150  1.0 3.0
   56    41    45    46   0.15000  1.0 3.0
   56    41    45    47   0.15000  1.0 3.0
   56    41   -45    49   0.34400  1.0 1.0
   56    41   -45    49   0.09450 -1.0 2.0
   56    41   -45    49   0.11100  1.0 3.0
   56    55    58    59   0.34800  1.0 3.0
   56    55    58    60   0.34800  1.0 3.0
   56    55    58    63   0.18000  1.0 1.0
   56    55    58    63   0.16450 -1.0 2.0
   56    55    58    63   0.04450  1.0 3.0
   56    61   -40    33   0.06250  1.0 1.0
   56    61   -40    33  -0.01100 -1.0 2.0
   56    61   -40    33   0.28050  1.0 3.0
   56    61    65    66   0.06250  1.0 1.0
   56    61    65    66  -0.01100 -1.0 2.0
   56    61    65    66   0.28050  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    40   0.23400  1.0 3.0
   57    56    61    65   0.23400  1.0 3.0
   61    65    66    67   0.37050  1.0 3.0
   61    65    66    68   0.06250  1.0 1.0
   61    65    66    68  -0.01100 -1.0 2.0
   61    65    66    68   0.28050  1.0 3.0
   61    65    66    82  -0.12700  1.0 1.0
   61    65    66    82  -1.16200 -1.0 2.0
   61    65    66    82   0.58800  1.0 3.0
   62    61    40    33   0.37050  1.0 3.0
   62    61    65    66   0.37050  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33   -38    41   0.62750  1.0 1.0
   40    33   -38    41  -0.30950 -1.0 2.0
   40    33   -38    41   0.27300  1.0 3.0
   40    33    38    43  -0.09450  1.0 1.0
   40    33    38    43  -1.12950 -1.0 2.0
   40    33    38    43   0.54000  1.0 3.0
   40    61    65    66  -0.53350  1.0 1.0
   40    61    65    66  -0.78350 -1.0 2.0
   40    61    65    66   0.33750  1.0 3.0
   65    61    40    33  -0.81800  1.0 1.0
   65    66    68    69   0.23400  1.0 3.0
   65    66    68    70   0.62750  1.0 1.0
   65    66    68    70  -0.30950 -1.0 2.0
   65    66    68    70   0.27300  1.0 3.0
   65    66    68    72   1.51850  1.0 1.0
   65    66    82    78  -0.70400  1.0 1.0
   65    66    82    78  -0.90350 -1.0 2.0
   66    68    70    71   0.15000  1.0 3.0
   66    68    70    74   0.56750  1.0 1.0
   66    68    70    74  -0.07550 -1.0 2.0
   66    68    70    74   0.20000  1.0 3.0
   66    68    70    76  -0.47750  1.0 1.0
   66    68    72    73   0.29150  1.0 1.0
   66    68    72    73  -0.28350 -1.0 2.0
   66    68    72    73   0.43600  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    72   0.23400  1.0 3.0
   67    66    82    78   0.37050  1.0 3.0
   68    66    82    78   0.06250  1.0 1.0
   68    66    82    78  -0.01100 -1.0 2.0
   68    66    82    78   0.28050  1.0 3.0
   68    70    74    75   0.15000  1.0 3.0
   68    70   -74    78   0.56750  1.0 1.0
   68    70   -74    78  -0.07550 -1.0 2.0
   68    70   -74    78   0.20000  1.0 3.0
   68    70    74    80  -0.47750  1.0 1.0
   68    70    76    77   0.29150  1.0 1.0
   68    70    76    77  -0.28350 -1.0 2.0
   68    70    76    77   0.43600  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    74   0.15000  1.0 3.0
   69    68    70    76   0.23400  1.0 3.0
   69    68    72    73   0.19450  1.0 3.0
   70    68    72    73   0.29150  1.0 1.0
   70    68    72    73  -0.28350 -1.0 2.0
   70    68    72    73   0.43600  1.0 3.0
   70    74    78    79   0.15000  1.0 3.0
   70    74    78    82   0.62750  1.0 1.0
   70    74    78    82  -0.30950 -1.0 2.0
   70    74    78    82   0.27300  1.0 3.0
   70    74    78    83   0.56750  1.0 1.0
   70    74    78    83  -0.07550 -1.0 2.0
   70    74    78    83   0.20000  1.0 3.0
   70    74    80    81   0.29150  1.0 1.0
   70    74    80    81  -0.28350 -1.0 2.0
   70    74    80    81   0.43600  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    78   0.15000  1.0 3.0
   71    70    74    80   0.23400  1.0 3.0
   71    70    76    77   0.19450  1.0 3.0
   74    70    76    77   0.29150  1.0 1.0
   74    70    76    77  -0.28350 -1.0 2.0
   74    70    76    77   0.43600  1.0 3.0
   74    78   -82    66   0.06250  1.0 1.0
   74    78   -82    66  -0.01100 -1.0 2.0
   74    78   -82    66   0.28050  1.0 3.0
   74    78    83    84   0.15000  1.0 3.0
   74    78    83    85   0.15000  1.0 3.0
   74    78    83    86  -0.47750  1.0 1.0
   75    74    78    79   0.15000  1.0 3.0
   75    74    78    82   0.23400  1.0 3.0
   75    74    78    83   0.15000  1.0 3.0
   75    74    80    81   0.19450  1.0 3.0
   78    74    80    81   0.29150  1.0 1.0
   78    74    80    81  -0.28350 -1.0 2.0
   78    74    80    81   0.43600  1.0 3.0
   78    83    86    87   0.29150  1.0 1.0
   78    83    86    87  -0.28350 -1.0 2.0
   78    83    86    87   0.43600  1.0 3.0
   79    78    82    66   0.37050  1.0 3.0
   79    78    83    84   0.15000  1.0 3.0
   79    78    83    85   0.15000  1.0 3.0
   79    78    83    86   0.23400  1.0 3.0
   82    66    68    69   0.23400  1.0 3.0
   82    66   -68    70   0.62750  1.0 1.0
   82    66   -68    70  -0.30950 -1.0 2.0
   82    66   -68    70   0.27300  1.0 3.0
   82    66    68    72   1.51850  1.0 1.0
   82    78    83    84   0.23400  1.0 3.0
   82    78    83    85   0.23400  1.0 3.0
   82    78    83    86   1.51850  1.0 1.0
   83    78    82    66   0.06250  1.0 1.0
   83    78    82    66  -0.01100 -1.0 2.0
   83    78    82    66   0.28050  1.0 3.0
   84    83    86    87   0.19450  1.0 3.0
   85    83    86    87   0.19450  1.0 3.0
   80    74    78    79   0.23400  1.0 3.0
   80    74    78    82   1.51850  1.0 1.0
   80    74    78    83  -0.47750  1.0 1.0
   76    70    74    75   0.23400  1.0 3.0
   76    70    74    78  -0.47750  1.0 1.0
   76    70    74    80   3.77950  1.0 1.0
   72    68    70    71   0.23400  1.0 3.0
   72    68    70    74  -0.47750  1.0 1.0
   72    68    70    76   3.77950  1.0 1.0
   58    55    56    41   0.46850  1.0 1.0
   58    55    56    41   0.08550 -1.0 2.0
   58    55    56    41   0.09800  1.0 3.0
   58    55    56    57   0.34800  1.0 3.0
   58    55    56    61   0.46850  1.0 1.0
   58    55    56    61   0.08550 -1.0 2.0
   58    55    56    61   0.09800  1.0 3.0
   59    58    63    64   0.19450  1.0 3.0
   60    58    63    64   0.19450  1.0 3.0
   43    38    41    42  -0.11250  1.0 3.0
   43    38    41    45  -0.95700  1.0 1.0
   43    38    41    45  -0.18200 -1.0 2.0
   43    38    41    45   0.29450  1.0 3.0
   43    38    41    56  -0.95700  1.0 1.0
   43    38    41    56  -0.18200 -1.0 2.0
   43    38    41    56   0.29450  1.0 3.0
   43    48    51    52   0.08050  1.0 3.0
   43    48    51    53   0.08050  1.0 3.0
   43    48    51    54   0.08050  1.0 3.0
   44    43    48    51   3.00000 -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
   45    50    49    55   1.10000 -1.0 2.0
   56    58    55    49   1.10000 -1.0 2.0
   38    48    43    44  10.50000 -1.0 2.0
END
