* LIGAND DATABASE FILE (OPLS2005)
*
001      86    85    156    229     461
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02033    89.68758    40.98647
    3     1 S   H    _H1_     3     1.02075    32.88429   167.72889
    4     1 S   H    _H2_     4     1.02089    90.82028   -67.74794
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08638   110.54412    58.84088
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   OS   _O36    36     1.66000    98.51398   179.98022
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C12    37     1.43587   113.62440  -160.00411
   38    37 S   CT   _C13    38     1.53799   105.78924  -179.96044
   39    38 S   HC   _H20    39     1.09528   110.96311    64.54610
   40    38 S   HC   _H21    40     1.09305   112.45696  -173.73024
   41    38 S   HC   _H22    41     1.09728   110.60943   -53.03790
   42    37 S   CT   _C11    42     1.54543   107.62455    63.75536
   43    42 S   HC   _H18    43     1.09913   108.39621   -65.76082
   44    42 S   HC   _H19    44     1.09777   108.20769    47.45301
   45    37 S   CT   _C14    65     1.55211   106.95300   -61.29118
   46    45 S   HC   _H23    66     1.09704   109.55535   164.89944
   47    45 S   HC   _H24    67     1.10056   105.95881    54.12360
   48    42 S   CT   _C8_    45     1.54972   117.42563   171.50877
   49    48 S   HC   _H3_    46     1.09491   108.14696   -33.67710
   50    45 S   CT   _C15    68     1.55631   118.16272   -67.17368
   51    50 S   HC   _H4_    69     1.09628   108.33046   -53.48075
   52    48 S   CM   _C7_    47     1.51532   108.75902    82.91140
   53    52 S   HC   _H12    48     1.08726   117.32461    64.05230
   54    48 S   CT   _C9_    58     1.54349   115.69830  -152.26148
   55    54 S   HC   _H13    59     1.09796   108.80854    61.70901
   56    54 S   HC   _H14    60     1.09503   109.53884   176.26603
   57    50 S   CT   _C16    70     1.55358   109.80244  -167.33983
   58    57 S   HC   _H25    71     1.09883   108.20913   -65.59831
   59    57 S   HC   _H26    72     1.09590   109.84088  -179.91153
   60    50 S   CT   _C18    77     1.55113   112.96671    64.46662
   61    60 S   HC   _H5_    78     1.09147   108.74998   -59.68324
   62    52 S   CM   _C6_    49     1.34224   123.58723  -116.92407
   63    62 S   HC   _H11    50     1.08647   119.50120     0.82329
   64    54 S   CT   _C10    61     1.52372   115.89536   -60.21374
   65    64 S   HC   _H15    62     1.09368   111.72258   -57.61058
   66    64 S   HC   _H16    63     1.09520   109.71618    61.54276
   67    64 S   HC   _H17    64     1.09315   111.81447  -179.49526
   68    57 S   CT   _C17    73     1.52251   116.32737    56.13314
   69    68 S   HC   _H27    74     1.09445   109.66826    58.13545
   70    68 S   HC   _H28    75     1.09356   111.63463   -60.28460
   71    68 S   HC   _H29    76     1.09354   111.95390   177.53868
   72    60 S   CT   _C19    79     1.53193   113.04577    61.05749
   73    72 S   HC   _H30    80     1.09651   111.51180    79.04883
   74    72 S   HC   _H31    81     1.09624   111.01150   -41.80998
   75    60 S   OH   _O35    85     1.42569   110.17098  -176.31188
   76    75 S   HO   _H32    86     0.96931   106.49090   175.27607
   77    62 S   CT   _C5_    51     1.49990   123.83972  -179.49915
   78    77 S   HC   _H9_    52     1.09663   111.13978   -31.95963
   79    77 S   HC   _H10    53     1.09524   108.71512  -149.35387
   80    72 S   CO3  _C20    82     1.53165   108.97441  -160.85866
   81    80 S   O2Z  _O34    83     1.26300   115.11091   -61.69027
   82    80 S   O2Z  _O33    84     1.26359   115.04868   118.62892
   83    77 S   CT   _C4_    54     1.52090   111.28184    89.97706
   84    83 S   HC   _H6_    55     1.09553   111.11522    57.00520
   85    83 S   HC   _H7_    56     1.09599   111.24789   177.53534
   86    83 S   HC   _H8_    57     1.09405   110.21738   -62.77342
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
  13   2   1   1  18  11   4   3   2  15   6   5  13   5   4  13
   7  16   8  11   4   7   5   4  10   6   5  10   6   8   4   3
   2   1   1   3   2   1   1   7   5   4   2   1   6   5   4   2
   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    48    45    46    47    50  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    48    49    52    54    45    46    47    50    51    57    60  
   39    40    41    42    43    44    48    45    46    47    50  
   40    41    42    45  
   41    42    45  
   42    45  
   43    44    48    49    52    53    62    54    55    56    64    45    46    47    50  
   44    48    49    52    54    45  
   48    49    52    54    45  
   46    47    50    51    57    58    59    68    60    61    72    75    48  
   47    50    51    57    60  
   50    51    57    60  
   49    52    53    62    63    77    54    55    56    64    65    66    67  
   52    53    62    54    55    56    64  
   51    57    58    59    68    69    70    71    60    61    72    73    74    80    75    76  
   57    58    59    68    60    61    72    75  
   53    62    63    77    78    79    83    54    55    56    64  
   62    63    77    54  
   55    56    64    65    66    67    62  
   56    64    65    66    67  
   64    65    66    67  
   58    59    68    69    70    71    60    61    72    75  
   59    68    69    70    71    60  
   68    69    70    71    60  
   61    72    73    74    80    81    82    75    76    68  
   72    73    74    80    75    76  
   63    77    78    79    83    84    85    86  
   77    78    79    83  
   65    66    67  
   66    67  
   67  
    0  
   69    70    71  
   70    71  
   71  
    0  
   73    74    80    81    82    75    76  
   74    80    81    82    75  
   80    81    82    75  
   76    80  
    0  
   78    79    83    84    85    86  
   79    83    84    85    86  
   83    84    85    86  
   81    82  
   82  
    0  
   84    85    86  
   85    86  
   86  
    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   0.047500   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   2.9000   0.1400  -0.415000   1.5900   1.4000   0.020110767  -0.896042159
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   83   3.5000   0.0660  -0.180000   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   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   655.000  1.490
   33    37   320.000  1.410
   37    38   268.000  1.529
   37    42   268.000  1.529
   37    45   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    48   268.000  1.529
   48    49   340.000  1.090
   48    52   317.000  1.510
   48    54   268.000  1.529
   52    53   340.000  1.080
   52    62   549.000  1.340
   62    63   340.000  1.080
   62    77   317.000  1.510
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   268.000  1.529
   50    51   340.000  1.090
   50    57   268.000  1.529
   50    60   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   60    61   340.000  1.090
   60    72   268.000  1.529
   60    75   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    80   317.000  1.522
   80    81   656.000  1.250
   80    82   656.000  1.250
   75    76   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33   110.00000  101.00000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37   100.00000  113.00000
   33    37    38    50.00000  109.50000
   33    37    42    50.00000  109.50000
   33    37    45    50.00000  109.50000
   37    38    39    37.50000  110.70000
   37    38    40    37.50000  110.70000
   37    38    41    37.50000  110.70000
   37    42    43    37.50000  110.70000
   37    42    44    37.50000  110.70000
   37    42    48    58.35000  112.70000
   37    45    46    37.50000  110.70000
   37    45    47    37.50000  110.70000
   37    45    50    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    37    38    58.35000  112.70000
   42    48    49    37.50000  110.70000
   42    48    52    70.00000  112.02700
   42    48    54    58.35000  112.70000
   44    42    43    33.00000  107.80000
   48    42    43    37.50000  110.70000
   48    42    44    37.50000  110.70000
   48    52    53    35.00000  117.00000
   48    52    62    70.00000  124.00000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    64    58.35000  112.70000
   52    48    49    35.00000  109.50000
   52    62    63    35.00000  120.00000
   52    62    77    70.00000  124.00000
   62    52    53    35.00000  120.00000
   62    77    78    35.00000  109.50000
   62    77    79    35.00000  109.50000
   62    77    83    70.00000  112.02700
   77    62    63    35.00000  117.00000
   77    83    84    37.50000  110.70000
   77    83    85    37.50000  110.70000
   77    83    86    37.50000  110.70000
   79    77    78    33.00000  107.80000
   83    77    78    37.50000  110.70000
   83    77    79    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   54    48    49    37.50000  110.70000
   54    48    52    70.00000  112.02700
   54    64    65    37.50000  110.70000
   54    64    66    37.50000  110.70000
   54    64    67    37.50000  110.70000
   56    54    55    33.00000  107.80000
   64    54    55    37.50000  110.70000
   64    54    56    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   45    37    38    58.35000  112.70000
   45    37    42    58.35000  112.70000
   45    50    51    37.50000  110.70000
   45    50    57    58.35000  112.70000
   45    50    60    58.35000  112.70000
   47    45    46    33.00000  107.80000
   50    45    46    37.50000  110.70000
   50    45    47    37.50000  110.70000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    68    58.35000  112.70000
   50    60    61    37.50000  110.70000
   50    60    72    58.35000  112.70000
   50    60    75    50.00000  109.50000
   57    50    51    37.50000  110.70000
   57    68    69    37.50000  110.70000
   57    68    70    37.50000  110.70000
   57    68    71    37.50000  110.70000
   59    57    58    33.00000  107.80000
   68    57    58    37.50000  110.70000
   68    57    59    37.50000  110.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   60    50    51    37.50000  110.70000
   60    50    57    58.35000  112.70000
   60    72    73    37.50000  110.70000
   60    72    74    37.50000  110.70000
   60    72    80    70.00000  109.69300
   60    75    76    55.00000  108.50000
   72    60    61    37.50000  110.70000
   72    80    81    70.00000  117.00000
   72    80    82    70.00000  117.00000
   74    72    73    33.00000  107.80000
   80    72    73    35.00000  109.50000
   80    72    74    35.00000  109.50000
   82    80    81    80.00000  126.00000
   75    60    61    35.00000  109.50000
   75    60    72    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   0.00000  1.0 1.0
   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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -2.50000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.37500  1.0 3.0
   29    33    37    42   0.37500  1.0 3.0
   29    33    37    45   0.37500  1.0 3.0
   33    37    38    39   0.23400  1.0 3.0
   33    37    38    40   0.23400  1.0 3.0
   33    37    38    41   0.23400  1.0 3.0
   33    37    42    43   0.23400  1.0 3.0
   33    37    42    44   0.23400  1.0 3.0
   33    37    42    48   0.62750  1.0 1.0
   33    37    42    48  -0.30950 -1.0 2.0
   33    37    42    48   0.27300  1.0 3.0
   33    37    45    46   0.23400  1.0 3.0
   33    37    45    47   0.23400  1.0 3.0
   33    37    45    50   0.62750  1.0 1.0
   33    37    45    50  -0.30950 -1.0 2.0
   33    37    45    50   0.27300  1.0 3.0
   37    42    48    49   0.15000  1.0 3.0
   37    42    48    52   0.34400  1.0 1.0
   37    42    48    52   0.09450 -1.0 2.0
   37    42    48    52   0.11100  1.0 3.0
   37    42    48    54   0.56750  1.0 1.0
   37    42    48    54  -0.07550 -1.0 2.0
   37    42    48    54   0.20000  1.0 3.0
   37    45    50    51   0.15000  1.0 3.0
   37    45    50    57   0.56750  1.0 1.0
   37    45    50    57  -0.07550 -1.0 2.0
   37    45    50    57   0.20000  1.0 3.0
   37    45    50    60   0.56750  1.0 1.0
   37    45    50    60  -0.07550 -1.0 2.0
   37    45    50    60   0.20000  1.0 3.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    44   0.15000  1.0 3.0
   38    37    42    48   0.56750  1.0 1.0
   38    37    42    48  -0.07550 -1.0 2.0
   38    37    42    48   0.20000  1.0 3.0
   38    37    45    46   0.15000  1.0 3.0
   38    37    45    47   0.15000  1.0 3.0
   38    37    45    50   0.56750  1.0 1.0
   38    37    45    50  -0.07550 -1.0 2.0
   38    37    45    50   0.20000  1.0 3.0
   42    37    38    39   0.15000  1.0 3.0
   42    37    38    40   0.15000  1.0 3.0
   42    37    38    41   0.15000  1.0 3.0
   42    37    45    46   0.15000  1.0 3.0
   42    37    45    47   0.15000  1.0 3.0
   42    37    45    50   0.56750  1.0 1.0
   42    37    45    50  -0.07550 -1.0 2.0
   42    37    45    50   0.20000  1.0 3.0
   42    48    52    53   0.00000  1.0 1.0
   42    48    52    62   0.09850  1.0 1.0
   42    48    52    62   0.15250 -1.0 2.0
   42    48    52    62  -0.50650  1.0 3.0
   42    48    54    55   0.15000  1.0 3.0
   42    48    54    56   0.15000  1.0 3.0
   42    48    54    64   0.56750  1.0 1.0
   42    48    54    64  -0.07550 -1.0 2.0
   42    48    54    64   0.20000  1.0 3.0
   43    42    48    49   0.15000  1.0 3.0
   43    42    48    52   0.15000  1.0 3.0
   43    42    48    54   0.15000  1.0 3.0
   44    42    48    49   0.15000  1.0 3.0
   44    42    48    52   0.15000  1.0 3.0
   44    42    48    54   0.15000  1.0 3.0
   48    52    62    63   7.00000 -1.0 2.0
   48    52    62    77   7.00000 -1.0 2.0
   48    54    64    65   0.15000  1.0 3.0
   48    54    64    66   0.15000  1.0 3.0
   48    54    64    67   0.15000  1.0 3.0
   49    48    52    53   0.33100  1.0 3.0
   49    48    52    62   0.00000  1.0 1.0
   49    48    54    55   0.15000  1.0 3.0
   49    48    54    56   0.15000  1.0 3.0
   49    48    54    64   0.15000  1.0 3.0
   52    48    54    55   0.15000  1.0 3.0
   52    48    54    56   0.15000  1.0 3.0
   52    48    54    64   0.34400  1.0 1.0
   52    48    54    64   0.09450 -1.0 2.0
   52    48    54    64   0.11100  1.0 3.0
   52    62    77    78   0.00000  1.0 1.0
   52    62    77    79   0.00000  1.0 1.0
   52    62    77    83   0.09850  1.0 1.0
   52    62    77    83   0.15250 -1.0 2.0
   52    62    77    83  -0.50650  1.0 3.0
   53    52    62    63   7.00000 -1.0 2.0
   53    52    62    77   7.00000 -1.0 2.0
   62    77    83    84   0.15000  1.0 3.0
   62    77    83    85   0.15000  1.0 3.0
   62    77    83    86   0.15000  1.0 3.0
   63    62    77    78   0.33100  1.0 3.0
   63    62    77    79   0.33100  1.0 3.0
   63    62    77    83   0.00000  1.0 1.0
   78    77    83    84   0.15000  1.0 3.0
   78    77    83    85   0.15000  1.0 3.0
   78    77    83    86   0.15000  1.0 3.0
   79    77    83    84   0.15000  1.0 3.0
   79    77    83    85   0.15000  1.0 3.0
   79    77    83    86   0.15000  1.0 3.0
   54    48    52    53   0.00000  1.0 1.0
   54    48    52    62   0.09850  1.0 1.0
   54    48    52    62   0.15250 -1.0 2.0
   54    48    52    62  -0.50650  1.0 3.0
   55    54    64    65   0.15000  1.0 3.0
   55    54    64    66   0.15000  1.0 3.0
   55    54    64    67   0.15000  1.0 3.0
   56    54    64    65   0.15000  1.0 3.0
   56    54    64    66   0.15000  1.0 3.0
   56    54    64    67   0.15000  1.0 3.0
   45    37    38    39   0.15000  1.0 3.0
   45    37    38    40   0.15000  1.0 3.0
   45    37    38    41   0.15000  1.0 3.0
   45    37    42    43   0.15000  1.0 3.0
   45    37    42    44   0.15000  1.0 3.0
   45    37    42    48   0.56750  1.0 1.0
   45    37    42    48  -0.07550 -1.0 2.0
   45    37    42    48   0.20000  1.0 3.0
   45    50    57    58   0.15000  1.0 3.0
   45    50    57    59   0.15000  1.0 3.0
   45    50    57    68   0.56750  1.0 1.0
   45    50    57    68  -0.07550 -1.0 2.0
   45    50    57    68   0.20000  1.0 3.0
   45    50    60    61   0.15000  1.0 3.0
   45    50    60    72   0.56750  1.0 1.0
   45    50    60    72  -0.07550 -1.0 2.0
   45    50    60    72   0.20000  1.0 3.0
   45    50    60    75   0.86500  1.0 1.0
   45    50    60    75  -0.17500 -1.0 2.0
   45    50    60    75   0.20800  1.0 3.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    57   0.15000  1.0 3.0
   46    45    50    60   0.15000  1.0 3.0
   47    45    50    51   0.15000  1.0 3.0
   47    45    50    57   0.15000  1.0 3.0
   47    45    50    60   0.15000  1.0 3.0
   50    57    68    69   0.15000  1.0 3.0
   50    57    68    70   0.15000  1.0 3.0
   50    57    68    71   0.15000  1.0 3.0
   50    60    72    73   0.15000  1.0 3.0
   50    60    72    74   0.15000  1.0 3.0
   50    60    72    80  -1.63150  1.0 1.0
   50    60    72    80  -0.43550 -1.0 2.0
   50    60    72    80   0.24500  1.0 3.0
   50    60    75    76  -0.11600  1.0 1.0
   50    60    75    76  -0.09450 -1.0 2.0
   50    60    75    76   0.21250  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    68   0.15000  1.0 3.0
   51    50    60    61   0.15000  1.0 3.0
   51    50    60    72   0.15000  1.0 3.0
   51    50    60    75   0.23400  1.0 3.0
   57    50    60    61   0.15000  1.0 3.0
   57    50    60    72   0.56750  1.0 1.0
   57    50    60    72  -0.07550 -1.0 2.0
   57    50    60    72   0.20000  1.0 3.0
   57    50    60    75   0.86500  1.0 1.0
   57    50    60    75  -0.17500 -1.0 2.0
   57    50    60    75   0.20800  1.0 3.0
   58    57    68    69   0.15000  1.0 3.0
   58    57    68    70   0.15000  1.0 3.0
   58    57    68    71   0.15000  1.0 3.0
   59    57    68    69   0.15000  1.0 3.0
   59    57    68    70   0.15000  1.0 3.0
   59    57    68    71   0.15000  1.0 3.0
   60    50    57    58   0.15000  1.0 3.0
   60    50    57    59   0.15000  1.0 3.0
   60    50    57    68   0.56750  1.0 1.0
   60    50    57    68  -0.07550 -1.0 2.0
   60    50    57    68   0.20000  1.0 3.0
   60    72    80    81   0.41150 -1.0 2.0
   60    72    80    82   0.41150 -1.0 2.0
   61    60    72    73   0.15000  1.0 3.0
   61    60    72    74   0.15000  1.0 3.0
   61    60    72    80  -0.11250  1.0 3.0
   61    60    75    76   0.19450  1.0 3.0
   72    60    75    76  -0.11600  1.0 1.0
   72    60    75    76  -0.09450 -1.0 2.0
   72    60    75    76   0.21250  1.0 3.0
   73    72    80    81   0.00000  1.0 1.0
   73    72    80    82   0.00000  1.0 1.0
   74    72    80    81   0.00000  1.0 1.0
   74    72    80    82   0.00000  1.0 1.0
   75    60    72    73   0.23400  1.0 3.0
   75    60    72    74   0.23400  1.0 3.0
   75    60    72    80  -5.33000  1.0 1.0
   75    60    72    80  -0.54250 -1.0 2.0
   75    60    72    80  -0.07300  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
   35    30    34    36  10.50000 -1.0 2.0
   48    53    52    62  15.00000 -1.0 2.0
   77    63    62    52  15.00000 -1.0 2.0
   81    72    80    82  10.50000 -1.0 2.0
END
