* LIGAND DATABASE FILE (OPLS2005)
*
001      87    86    150    225     444
    1     0 S   NP   _N1_     1    29.03322    98.89933   -18.60999
    2     1 S   H    _HN1     2     1.02911    56.02957   156.21764
    3     1 S   H    _H1_     3     1.02809    76.40604   -81.17195
    4     1 S   H    _H2_     4     1.02884    74.70875    32.25117
    5     1 S   CT   _CA1     5     1.50301   166.38561   149.47881
    6     5 S   HC   _HA1     6     1.09707   104.73637    67.61125
    7     5 S   CO3  _C1_     7     1.54159   111.04495   -49.15242
    8     7 S   O2Z  _O11     8     1.26074   116.25019   -96.64462
    9     7 S   O2Z  _O12     9     1.26518   114.07483    81.82116
   10     5 S   CT   _CB1    10     1.53180   107.12423  -176.69329
   11    10 S   HC   HB11    11     1.09820   109.17367   -50.83540
   12    10 S   HC   HB12    12     1.09766   110.78600    65.77937
   13    10 S   CT   _CG1    13     1.52915   112.14266  -171.69489
   14    13 S   HC   HG11    14     1.09546   110.51287   -67.07441
   15    13 S   HC   HG12    15     1.09664   109.76211    51.89797
   16    13 S   C    _CD1    16     1.51809   112.82939   171.50458
   17    16 S   O    _OE1    17     1.22689   123.39767    -5.96818
   18    16 S   N    _N2_    18     1.38620   111.36490   175.49011
   19    18 S   H    _HN2    19     1.01583   118.85432    -1.50246
   20    18 S   CT1  _CA2    20     1.46282   123.74733   174.72523
   21    20 S   HC   _HA2    21     1.09708   109.48964    -6.04870
   22    20 S   C    _C2_    22     1.53603   108.09201  -121.58212
   23    22 S   O    _O2_    23     1.23033   122.36535  -151.46486
   24    20 S   CT   _CB2    32     1.53217   111.33276   116.62237
   25    24 S   HC   HB21    33     1.09523   109.50590    53.64570
   26    24 S   HC   HB22    34     1.09505   110.90343   172.31977
   27    22 S   N    _N3_    24     1.38344   113.62583    35.62260
   28    27 S   H    _HN3    25     1.01613   119.37046    -2.68117
   29    24 S   S    _SG2    35     1.82776   111.57411   -68.29079
   30    27 S   CT   _CA3    26     1.45256   123.39986   177.98588
   31    30 S   HC   HA31    27     1.09538   107.41717   -68.72100
   32    30 S   HC   HA32    28     1.09554   108.15285    47.81260
   33    29 S   CT   _C18    36     1.84272    99.49576   156.51834
   34    33 S   HC   _H4_    37     1.09531   107.61163    33.82936
   35    30 S   CO3  _C3_    29     1.52977   113.94970   169.91192
   36    35 S   O2Z  _O31    30     1.26382   116.04671     0.81181
   37    35 S   O2Z  _O32    31     1.26419   114.42456  -179.13952
   38    33 S   CM   _C17    38     1.51154   107.53380   -84.10197
   39    38 S   HC   _H22    39     1.08937   116.72503   -62.47140
   40    33 S   CT   _C19    72     1.54837   112.60271   153.08135
   41    40 S   HC   _H5_    73     1.09806   108.27060   176.78898
   42    38 S   CM   _C16    40     1.34219   123.90220   116.58970
   43    42 S   HC   _H21    41     1.08695   119.79761     0.70416
   44    40 S   CT   _C20    74     1.53978   115.41795   -61.84520
   45    44 S   HC   _H23    75     1.09609   110.17358    65.04307
   46    44 S   HC   _H24    76     1.09849   108.11855   178.93780
   47    40 S   OH   _O35    86     1.43252   110.02476    60.93559
   48    47 S   HO   _H29    87     0.97222   107.67034   177.59401
   49    42 S   CM   _C15    42     1.44490   122.62065  -177.51163
   50    49 S   HC   _H20    43     1.08830   116.79537    -1.06551
   51    44 S   CT   _C21    77     1.53118   113.72316   -59.90743
   52    51 S   HC   _H25    78     1.09679   108.99970   -53.61417
   53    51 S   HC   _H26    79     1.09498   110.52839    63.60058
   54    49 S   CM   _C14    44     1.34148   123.36851   177.28610
   55    54 S   HC   _H19    45     1.08732   120.30544     0.94915
   56    51 S   CT   _C22    80     1.52678   112.16893  -173.78678
   57    56 S   HC   _H27    81     1.09733   108.50796   170.62892
   58    56 S   HC   _H28    82     1.09705   109.55860    54.43754
   59    54 S   CM   _C13    46     1.44491   122.31504  -177.22202
   60    59 S   HC   _H18    47     1.08782   116.97856    -1.49802
   61    56 S   CO3  _C23    83     1.53238   116.16978   -69.73862
   62    61 S   O2Z  _O34    84     1.26165   116.32046   -24.44995
   63    61 S   O2Z  _O33    85     1.26465   114.26779   156.33066
   64    59 S   CM   _C12    48     1.34178   123.73448   176.40577
   65    64 S   HC   _H17    49     1.08779   120.10677     1.98051
   66    64 S   CT   _C11    50     1.50274   122.89508  -176.84818
   67    66 S   HC   _H15    51     1.09691   108.45034  -120.72542
   68    66 S   HC   _H16    52     1.09690   111.74468    -4.65139
   69    66 S   CM   _C10    53     1.50401   112.28742   119.33033
   70    69 S   HC   _H14    54     1.08899   115.37592   104.12798
   71    69 S   CM   _C9_    55     1.34358   127.41481   -76.09966
   72    71 S   HC   _H13    56     1.08844   117.62991   179.86878
   73    71 S   CM   _C8_    57     1.44529   125.85069     1.48675
   74    73 S   HC   _H12    58     1.08529   117.88628    -3.84675
   75    73 S   CM   _C7_    59     1.34174   123.40412   174.69312
   76    75 S   HC   _H11    60     1.08775   120.07960     1.37800
   77    75 S   CT   _C6_    61     1.50269   123.17296  -177.06188
   78    77 S   HC   _H3_    62     1.09677   110.79331    -5.22502
   79    77 S   CT   _C5_    63     1.53341   112.45778   118.09497
   80    79 S   HC   _H9_    64     1.09650   109.08316   172.77417
   81    79 S   HC   _H10    65     1.09769   110.12621    57.68600
   82    77 S   OH   _O36    70     1.42638   107.55394  -122.33102
   83    82 S   HO   _H30    71     0.97628   106.89141   167.54896
   84    79 S   CT   _C4_    66     1.52180   113.42797   -65.50634
   85    84 S   HC   _H6_    67     1.09416   111.55556    64.81714
   86    84 S   HC   _H7_    68     1.09482   110.07889  -175.73662
   87    84 S   HC   _H8_    69     1.09459   111.00152   -56.15351
  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
  14   7   2   1   1  10   4  11   6   6   3  11   6   5   2   1
   6   3   8   5   4   6   3   5   4   3   7   3   2   1   1   7
   4   7   4   3   6   3   6   3   7   3   9   4  10   6   8   6
   5   2   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    40    41    44    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    49    40    41    44    45    46    51    47    48  
   38    39    42    40    41    44    47  
   36    37  
   37  
    0  
   39    42    43    49    50    54    40    41    44    47  
   42    43    49    40  
   41    44    45    46    51    52    53    56    47    48    42  
   44    45    46    51    47    48  
   43    49    50    54    55    59  
   49    50    54  
   45    46    51    52    53    56    57    58    61    47    48  
   46    51    52    53    56    47  
   51    52    53    56    47  
   48    51  
    0  
   50    54    55    59    60    64  
   54    55    59  
   52    53    56    57    58    61    62    63  
   53    56    57    58    61  
   56    57    58    61  
   55    59    60    64    65    66  
   59    60    64  
   57    58    61    62    63  
   58    61    62    63  
   61    62    63  
   60    64    65    66    67    68    69  
   64    65    66  
   62    63  
   63  
    0  
   65    66    67    68    69    70    71  
   66    67    68    69  
   67    68    69    70    71    72    73  
   68    69    70    71  
   69    70    71  
   70    71    72    73    74    75  
   71    72    73  
   72    73    74    75    76    77  
   73    74    75  
   74    75    76    77    78    79    82  
   75    76    77  
   76    77    78    79    80    81    84    82    83  
   77    78    79    82  
   78    79    80    81    84    85    86    87    82    83  
   79    80    81    84    82    83  
   80    81    84    85    86    87    82    83  
   81    84    85    86    87    82  
   84    85    86    87    82  
   83    84  
    0  
   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  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   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   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    49   380.000  1.444
   49    50   340.000  1.080
   49    54   549.000  1.340
   54    55   340.000  1.080
   54    59   380.000  1.444
   59    60   340.000  1.080
   59    64   549.000  1.340
   64    65   340.000  1.080
   64    66   317.000  1.510
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   317.000  1.510
   69    70   340.000  1.080
   69    71   549.000  1.340
   71    72   340.000  1.080
   71    73   380.000  1.444
   73    74   340.000  1.080
   73    75   549.000  1.340
   75    76   340.000  1.080
   75    77   317.000  1.510
   77    78   340.000  1.090
   77    79   268.000  1.529
   77    82   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   82    83   553.000  0.945
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    47   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   317.000  1.522
   61    62   656.000  1.250
   61    63   656.000  1.250
   47    48   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   33    40    47    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    49    70.00000  123.01800
   42    38    39    35.00000  120.00000
   42    49    50    35.00000  120.00000
   42    49    54    70.00000  123.01800
   49    42    43    35.00000  120.00000
   49    54    55    35.00000  120.00000
   49    54    59    70.00000  123.01800
   54    49    50    35.00000  120.00000
   54    59    60    35.00000  120.00000
   54    59    64    70.00000  123.01800
   59    54    55    35.00000  120.00000
   59    64    65    35.00000  120.00000
   59    64    66    70.00000  124.00000
   64    59    60    35.00000  120.00000
   64    66    67    35.00000  109.50000
   64    66    68    35.00000  109.50000
   64    66    69    70.00000  110.12100
   66    64    65    35.00000  117.00000
   66    69    70    35.00000  117.00000
   66    69    71    70.00000  124.00000
   68    66    67    33.00000  107.80000
   69    66    67    35.00000  109.50000
   69    66    68    35.00000  109.50000
   69    71    72    35.00000  120.00000
   69    71    73    70.00000  123.01800
   71    69    70    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    70.00000  123.01800
   73    71    72    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    70.00000  124.00000
   75    73    74    35.00000  120.00000
   75    77    78    35.00000  109.50000
   75    77    79    70.00000  112.02700
   75    77    82    90.00000  110.39200
   77    75    76    35.00000  117.00000
   77    79    80    37.50000  110.70000
   77    79    81    37.50000  110.70000
   77    79    84    58.35000  112.70000
   77    82    83    55.00000  108.50000
   79    77    78    37.50000  110.70000
   79    84    85    37.50000  110.70000
   79    84    86    37.50000  110.70000
   79    84    87    37.50000  110.70000
   81    79    80    33.00000  107.80000
   84    79    80    37.50000  110.70000
   84    79    81    37.50000  110.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   82    77    78    35.00000  109.50000
   82    77    79    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    51    58.35000  112.70000
   40    47    48    55.00000  108.50000
   44    40    41    37.50000  110.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    56    58.35000  112.70000
   46    44    45    33.00000  107.80000
   51    44    45    37.50000  110.70000
   51    44    46    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    61    70.00000  109.69300
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    61    62    70.00000  117.00000
   56    61    63    70.00000  117.00000
   58    56    57    33.00000  107.80000
   61    56    57    35.00000  109.50000
   61    56    58    35.00000  109.50000
   63    61    62    80.00000  126.00000
   47    40    41    35.00000  109.50000
   47    40    44    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    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   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   29    33    40    47   0.56750  1.0 1.0
   29    33    40    47  -0.07550 -1.0 2.0
   29    33    40    47   0.20000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    49   7.00000 -1.0 2.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    51   0.56750  1.0 1.0
   33    40    44    51  -0.07550 -1.0 2.0
   33    40    44    51   0.20000  1.0 3.0
   33    40    47    48  -0.11600  1.0 1.0
   33    40    47    48  -0.09450 -1.0 2.0
   33    40    47    48   0.21250  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   34    33    40    47   0.23400  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.34400  1.0 1.0
   38    33    40    44   0.09450 -1.0 2.0
   38    33    40    44   0.11100  1.0 3.0
   38    33    40    47   1.05650  1.0 1.0
   38    33    40    47   0.15600 -1.0 2.0
   38    33    40    47   0.53150  1.0 3.0
   38    42    49    50  -0.18600  1.0 3.0
   38    42    49    54   0.28850  1.0 1.0
   38    42    49    54   2.61350 -1.0 2.0
   38    42    49    54   0.78400  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    49   7.00000 -1.0 2.0
   42    49    54    55   7.00000 -1.0 2.0
   42    49    54    59   7.00000 -1.0 2.0
   43    42    49    50   0.00000  1.0 1.0
   43    42    49    54  -0.18600  1.0 3.0
   49    54    59    60  -0.18600  1.0 3.0
   49    54    59    64   0.28850  1.0 1.0
   49    54    59    64   2.61350 -1.0 2.0
   49    54    59    64   0.78400  1.0 3.0
   50    49    54    55   7.00000 -1.0 2.0
   50    49    54    59   7.00000 -1.0 2.0
   54    59    64    65   7.00000 -1.0 2.0
   54    59    64    66   7.00000 -1.0 2.0
   55    54    59    60   0.00000  1.0 1.0
   55    54    59    64  -0.18600  1.0 3.0
   59    64    66    67   0.00000  1.0 1.0
   59    64    66    68   0.00000  1.0 1.0
   59    64    66    69  -0.28300  1.0 1.0
   59    64    66    69   0.26700 -1.0 2.0
   59    64    66    69  -0.63300  1.0 3.0
   60    59    64    65   7.00000 -1.0 2.0
   60    59    64    66   7.00000 -1.0 2.0
   64    66    69    70   0.00000  1.0 1.0
   64    66    69    71  -0.28300  1.0 1.0
   64    66    69    71   0.26700 -1.0 2.0
   64    66    69    71  -0.63300  1.0 3.0
   65    64    66    67   0.33100  1.0 3.0
   65    64    66    68   0.33100  1.0 3.0
   65    64    66    69   0.00000  1.0 1.0
   66    69    71    72   7.00000 -1.0 2.0
   66    69    71    73   7.00000 -1.0 2.0
   67    66    69    70   0.33100  1.0 3.0
   67    66    69    71   0.00000  1.0 1.0
   68    66    69    70   0.33100  1.0 3.0
   68    66    69    71   0.00000  1.0 1.0
   69    71    73    74  -0.18600  1.0 3.0
   69    71    73    75   0.28850  1.0 1.0
   69    71    73    75   2.61350 -1.0 2.0
   69    71    73    75   0.78400  1.0 3.0
   70    69    71    72   7.00000 -1.0 2.0
   70    69    71    73   7.00000 -1.0 2.0
   71    73    75    76   7.00000 -1.0 2.0
   71    73    75    77   7.00000 -1.0 2.0
   72    71    73    74   0.00000  1.0 1.0
   72    71    73    75  -0.18600  1.0 3.0
   73    75    77    78   0.00000  1.0 1.0
   73    75    77    79   0.09850  1.0 1.0
   73    75    77    79   0.15250 -1.0 2.0
   73    75    77    79  -0.50650  1.0 3.0
   73    75    77    82   0.67800  1.0 1.0
   73    75    77    82   0.47050 -1.0 2.0
   73    75    77    82  -0.62500  1.0 3.0
   74    73    75    76   7.00000 -1.0 2.0
   74    73    75    77   7.00000 -1.0 2.0
   75    77    79    80   0.15000  1.0 3.0
   75    77    79    81   0.15000  1.0 3.0
   75    77    79    84   0.34400  1.0 1.0
   75    77    79    84   0.09450 -1.0 2.0
   75    77    79    84   0.11100  1.0 3.0
   75    77    82    83  -0.07800  1.0 1.0
   75    77    82    83  -0.21500 -1.0 2.0
   75    77    82    83  -0.03150  1.0 3.0
   76    75    77    78   0.33100  1.0 3.0
   76    75    77    79   0.00000  1.0 1.0
   76    75    77    82   0.00000  1.0 1.0
   77    79    84    85   0.15000  1.0 3.0
   77    79    84    86   0.15000  1.0 3.0
   77    79    84    87   0.15000  1.0 3.0
   78    77    79    80   0.15000  1.0 3.0
   78    77    79    81   0.15000  1.0 3.0
   78    77    79    84   0.15000  1.0 3.0
   78    77    82    83   0.19450  1.0 3.0
   79    77    82    83  -0.11600  1.0 1.0
   79    77    82    83  -0.09450 -1.0 2.0
   79    77    82    83   0.21250  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   0.15000  1.0 3.0
   81    79    84    85   0.15000  1.0 3.0
   81    79    84    86   0.15000  1.0 3.0
   81    79    84    87   0.15000  1.0 3.0
   82    77    79    80   0.23400  1.0 3.0
   82    77    79    81   0.23400  1.0 3.0
   82    77    79    84   0.86500  1.0 1.0
   82    77    79    84  -0.17500 -1.0 2.0
   82    77    79    84   0.20800  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42   0.09850  1.0 1.0
   40    33    38    42   0.15250 -1.0 2.0
   40    33    38    42  -0.50650  1.0 3.0
   40    44    51    52   0.15000  1.0 3.0
   40    44    51    53   0.15000  1.0 3.0
   40    44    51    56   0.56750  1.0 1.0
   40    44    51    56  -0.07550 -1.0 2.0
   40    44    51    56   0.20000  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    51   0.15000  1.0 3.0
   41    40    47    48   0.19450  1.0 3.0
   44    40    47    48  -0.11600  1.0 1.0
   44    40    47    48  -0.09450 -1.0 2.0
   44    40    47    48   0.21250  1.0 3.0
   44    51    56    57   0.15000  1.0 3.0
   44    51    56    58   0.15000  1.0 3.0
   44    51    56    61  -1.63150  1.0 1.0
   44    51    56    61  -0.43550 -1.0 2.0
   44    51    56    61   0.24500  1.0 3.0
   45    44    51    52   0.15000  1.0 3.0
   45    44    51    53   0.15000  1.0 3.0
   45    44    51    56   0.15000  1.0 3.0
   46    44    51    52   0.15000  1.0 3.0
   46    44    51    53   0.15000  1.0 3.0
   46    44    51    56   0.15000  1.0 3.0
   51    56    61    62   0.41150 -1.0 2.0
   51    56    61    63   0.41150 -1.0 2.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    61  -0.11250  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    61  -0.11250  1.0 3.0
   57    56    61    62   0.00000  1.0 1.0
   57    56    61    63   0.00000  1.0 1.0
   58    56    61    62   0.00000  1.0 1.0
   58    56    61    63   0.00000  1.0 1.0
   47    40    44    45   0.23400  1.0 3.0
   47    40    44    46   0.23400  1.0 3.0
   47    40    44    51   0.86500  1.0 1.0
   47    40    44    51  -0.17500 -1.0 2.0
   47    40    44    51   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42  15.00000 -1.0 2.0
   49    43    42    38  15.00000 -1.0 2.0
   42    50    49    54  15.00000 -1.0 2.0
   59    55    54    49  15.00000 -1.0 2.0
   54    60    59    64  15.00000 -1.0 2.0
   66    65    64    59  15.00000 -1.0 2.0
   66    70    69    71  15.00000 -1.0 2.0
   73    72    71    69  15.00000 -1.0 2.0
   71    74    73    75  15.00000 -1.0 2.0
   77    76    75    73  15.00000 -1.0 2.0
   62    56    61    63  10.50000 -1.0 2.0
END
