* LIGAND DATABASE FILE (OPLS2005)
*
001      78    78    144    219     429
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02022    99.35019    22.12392
    3     1 S   H    _H1_     3     1.02134    36.76088   130.93128
    4     1 S   H    _H2_     4     1.02105    78.95260   -85.24208
    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     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   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   CT   _C6_    36     1.83172    97.86597  -178.16538
   34    33 S   HC   _H3_    37     1.09574   106.95838    36.74279
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C7_    38     1.53700   108.08884   -80.00332
   39    38 S   HC   _H9_    39     1.09791   109.97920    58.71397
   40    38 S   HC   _H10    40     1.09890   110.39154   -59.27460
   41    38 S   CT   _C8_    41     1.53648   111.14668   179.28154
   42    41 S   HC   _H4_    42     1.09836   108.11342   -61.11168
   43    41 S   CT   _C9_    43     1.52780   110.58204    57.66756
   44    43 S   HC   _H11    44     1.09584   110.18877  -174.71257
   45    43 S   HC   _H12    45     1.09636   111.67860    65.40890
   46    41 S   CT   _C11    54     1.52690   110.71039  -179.46150
   47    43 S   CO4  _C10    46     1.51186   110.14576   -54.64817
   48    47 S   O    _O33    47     1.23062   120.68321  -130.08067
   49    46 S   CT   _C12    55     1.53331   109.68165   -61.72018
   50    49 S   HC   _H13    56     1.09460   111.58451   179.98022
   51    49 S   HC   _H14    57     1.09603   110.91062   -58.94985
   52    49 S   HC   _H15    58     1.09585   110.84037    58.88990
   53    46 S   CT   _C13    59     1.54411   112.62394    60.83572
   54    53 S   HC   _H16    60     1.09761   109.43008   -63.91007
   55    53 S   HC   _H17    61     1.09784   109.42901   179.49332
   56    46 S   OH   _O35    77     1.43015   107.65722  -178.48742
   57    56 S   HO   _H27    78     0.96754   106.30461   180.00000
   58    33 S   CT   _C5_    48     1.54215   111.81199   156.43240
   59    58 S   HC   _H8_    49     1.09634   110.24647    57.74235
   60    53 S   CM   _C14    62     1.50605   113.97524    59.94653
   61    60 S   HC   _H18    63     1.08604   116.12946    57.19982
   62    58 S   CT   _C4_    50     1.53177   113.03132   -63.57649
   63    62 S   HC   _H5_    51     1.08680   109.62923   -57.57320
   64    62 S   HC   _H6_    52     1.08744   109.62377  -177.60739
   65    62 S   HC   _H7_    53     1.08785   109.57990    62.41573
   66    60 S   CM   _C15    64     1.34239   123.60466  -123.49161
   67    66 S   HC   _H19    65     1.09009   117.64661     0.21580
   68    66 S   CT   _C16    66     1.51231   127.26171  -179.93744
   69    68 S   CT   _C17    67     1.53292   109.33874   120.00893
   70    69 S   HC   _H20    68     1.09636   111.14406  -179.98022
   71    69 S   HC   _H21    69     1.09531   111.70910    58.76937
   72    69 S   HC   _H22    70     1.09630   110.88160   -62.16370
   73    68 S   CT   _C18    71     1.53264   115.37244    -4.44369
   74    73 S   HC   _H23    72     1.09699   111.11215  -180.00000
   75    73 S   HC   _H24    73     1.09478   111.99778   -58.12258
   76    73 S   HC   _H25    74     1.09648   110.76333    62.49505
   77    68 S   OH   _O34    75     1.43250   106.52551  -123.61543
   78    77 S   HO   _H26    76     0.96807   106.16340   179.96574
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  15   6   5  18   8  11   5   4  13   7   3
   9   4   3   2   9   5   4   2   1   5   4   7   3   3   2   1
   1  12   4  10   9   4   3   2   5   3   2   1   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    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    47    58    59    62  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    47    48    58    59    62    63    64    65    46  
   38    39    40    41    47    58    59    62  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    47    58    59    62    46    49    53    56  
   40    41    42    43    58    46  
   41    42    43    58    46  
   42    43    44    45    47    48    58    46    49    50    51    52    53    54    55    60    56    57  
   43    44    45    47    46    49    53    56  
   44    45    47    48    58    59    62    46    49    53    56  
   45    47    48    58    46  
   47    48    58    46  
   49    50    51    52    53    54    55    60    61    66    56    57    47  
   48    58    59    62    63    64    65  
   58    59    62  
   50    51    52    53    54    55    60    56    57  
   51    52    53    56  
   52    53    56  
   53    56  
   54    55    60    61    66    67    68    56    57  
   55    60    61    66    56  
   60    61    66    56  
   57    60  
    0  
   59    62    63    64    65  
   62    63    64    65  
   61    66    67    68    69    73    77  
   66    67    68  
   63    64    65  
   64    65  
   65  
    0  
   67    68    69    70    71    72    73    74    75    76    77    78  
   68    69    73    77  
   69    70    71    72    73    74    75    76    77    78  
   70    71    72    73    74    75    76    77    78  
   71    72    73    77  
   72    73    77  
   73    77  
   74    75    76    77    78  
   75    76    77  
   76    77  
   77  
   78  
    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   3.5000   0.0660  -0.120000   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   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    58   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    47   317.000  1.522
   47    48   570.000  1.229
   47    58   317.000  1.522
   58    59   340.000  1.090
   58    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   46    49   268.000  1.529
   46    53   268.000  1.529
   46    56   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   317.000  1.510
   60    61   340.000  1.080
   60    66   549.000  1.340
   66    67   340.000  1.080
   66    68   317.000  1.510
   68    69   268.000  1.529
   68    73   268.000  1.529
   68    77   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   553.000  0.945
   56    57   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  111.63000
   29    33    58    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    58    47    63.00000  111.10000
   33    58    59    37.50000  110.70000
   33    58    62    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    46    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    47    63.00000  111.10000
   41    46    49    58.35000  112.70000
   41    46    53    58.35000  112.70000
   41    46    56    50.00000  109.50000
   43    41    42    37.50000  110.70000
   43    47    48    80.00000  120.40000
   43    47    58    70.00000  116.00000
   45    43    44    33.00000  107.80000
   47    43    44    35.00000  109.50000
   47    43    45    35.00000  109.50000
   47    58    59    35.00000  109.50000
   47    58    62    63.00000  111.10000
   58    33    34    37.50000  110.70000
   58    33    38    58.35000  112.70000
   58    47    48    80.00000  120.40000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    65    37.50000  110.70000
   62    58    59    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   46    41    42    37.50000  110.70000
   46    41    43    58.35000  112.70000
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    52    37.50000  110.70000
   46    53    54    37.50000  110.70000
   46    53    55    37.50000  110.70000
   46    53    60    70.00000  112.02700
   46    56    57    55.00000  108.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   53    46    49    58.35000  112.70000
   53    60    61    35.00000  117.00000
   53    60    66    70.00000  124.00000
   55    53    54    33.00000  107.80000
   60    53    54    35.00000  109.50000
   60    53    55    35.00000  109.50000
   60    66    67    35.00000  120.00000
   60    66    68    70.00000  124.00000
   66    60    61    35.00000  120.00000
   66    68    69    70.00000  112.02700
   66    68    73    70.00000  112.02700
   66    68    77    90.00000  110.39200
   68    66    67    35.00000  117.00000
   68    69    70    37.50000  110.70000
   68    69    71    37.50000  110.70000
   68    69    72    37.50000  110.70000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    76    37.50000  110.70000
   68    77    78    55.00000  108.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    68    69    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    68    69    50.00000  109.50000
   77    68    73    50.00000  109.50000
   56    46    49    50.00000  109.50000
   56    46    53    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   0.01700  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    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   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    58    47   0.56750  1.0 1.0
   29    33    58    47  -0.07550 -1.0 2.0
   29    33    58    47   0.20000  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    62   0.44750  1.0 1.0
   29    33    58    62  -0.17800 -1.0 2.0
   29    33    58    62   0.20200  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    46   0.56750  1.0 1.0
   33    38    41    46  -0.07550 -1.0 2.0
   33    38    41    46   0.20000  1.0 3.0
   33    58    62    63   0.15000  1.0 3.0
   33    58    62    64   0.15000  1.0 3.0
   33    58    62    65   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    58    47  -0.11250  1.0 3.0
   34    33    58    59   0.15000  1.0 3.0
   34    33    58    62   0.15000  1.0 3.0
   38    33    58    47  -0.95700  1.0 1.0
   38    33    58    47  -0.18200 -1.0 2.0
   38    33    58    47   0.29450  1.0 3.0
   38    33    58    59   0.15000  1.0 3.0
   38    33    58    62   0.56750  1.0 1.0
   38    33    58    62  -0.07550 -1.0 2.0
   38    33    58    62   0.20000  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41    43    45   0.15000  1.0 3.0
   38    41   -43    47  -0.95700  1.0 1.0
   38    41   -43    47  -0.18200 -1.0 2.0
   38    41   -43    47   0.29450  1.0 3.0
   38    41    46    49   0.56750  1.0 1.0
   38    41    46    49  -0.07550 -1.0 2.0
   38    41    46    49   0.20000  1.0 3.0
   38    41    46    53   0.56750  1.0 1.0
   38    41    46    53  -0.07550 -1.0 2.0
   38    41    46    53   0.20000  1.0 3.0
   38    41    46    56   0.86500  1.0 1.0
   38    41    46    56  -0.17500 -1.0 2.0
   38    41    46    56   0.20800  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    46   0.15000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    46   0.15000  1.0 3.0
   41    43    47    48   0.30150 -1.0 2.0
   41    43    47    58   0.60050  1.0 1.0
   41    43    47    58   0.05600 -1.0 2.0
   41    43    47    58   0.26150  1.0 3.0
   41    46    49    50   0.15000  1.0 3.0
   41    46    49    51   0.15000  1.0 3.0
   41    46    49    52   0.15000  1.0 3.0
   41    46    53    54   0.15000  1.0 3.0
   41    46    53    55   0.15000  1.0 3.0
   41    46    53    60   0.34400  1.0 1.0
   41    46    53    60   0.09450 -1.0 2.0
   41    46    53    60   0.11100  1.0 3.0
   41    46    56    57  -0.11600  1.0 1.0
   41    46    56    57  -0.09450 -1.0 2.0
   41    46    56    57   0.21250  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    47  -0.11250  1.0 3.0
   42    41    46    49   0.15000  1.0 3.0
   42    41    46    53   0.15000  1.0 3.0
   42    41    46    56   0.23400  1.0 3.0
   43    41    46    49   0.56750  1.0 1.0
   43    41    46    49  -0.07550 -1.0 2.0
   43    41    46    49   0.20000  1.0 3.0
   43    41    46    53   0.56750  1.0 1.0
   43    41    46    53  -0.07550 -1.0 2.0
   43    41    46    53   0.20000  1.0 3.0
   43    41    46    56   0.86500  1.0 1.0
   43    41    46    56  -0.17500 -1.0 2.0
   43    41    46    56   0.20800  1.0 3.0
   43    47   -58    33   0.60050  1.0 1.0
   43    47   -58    33   0.05600 -1.0 2.0
   43    47   -58    33   0.26150  1.0 3.0
   43    47    58    59   0.00000  1.0 1.0
   43    47    58    62   0.60050  1.0 1.0
   43    47    58    62   0.05600 -1.0 2.0
   43    47    58    62   0.26150  1.0 3.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    58   0.00000  1.0 1.0
   45    43    47    48   0.00000  1.0 1.0
   45    43    47    58   0.00000  1.0 1.0
   47    58    62    63  -0.11250  1.0 3.0
   47    58    62    64  -0.11250  1.0 3.0
   47    58    62    65  -0.11250  1.0 3.0
   48    47    58    33   0.30150 -1.0 2.0
   48    47    58    59   0.00000  1.0 1.0
   48    47    58    62   0.30150 -1.0 2.0
   58    33    38    39   0.15000  1.0 3.0
   58    33    38    40   0.15000  1.0 3.0
   58    33   -38    41   0.56750  1.0 1.0
   58    33   -38    41  -0.07550 -1.0 2.0
   58    33   -38    41   0.20000  1.0 3.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    64   0.15000  1.0 3.0
   59    58    62    65   0.15000  1.0 3.0
   46    41    43    44   0.15000  1.0 3.0
   46    41    43    45   0.15000  1.0 3.0
   46    41    43    47  -0.95700  1.0 1.0
   46    41    43    47  -0.18200 -1.0 2.0
   46    41    43    47   0.29450  1.0 3.0
   46    53    60    61   0.00000  1.0 1.0
   46    53    60    66   0.09850  1.0 1.0
   46    53    60    66   0.15250 -1.0 2.0
   46    53    60    66  -0.50650  1.0 3.0
   49    46    53    54   0.15000  1.0 3.0
   49    46    53    55   0.15000  1.0 3.0
   49    46    53    60   0.34400  1.0 1.0
   49    46    53    60   0.09450 -1.0 2.0
   49    46    53    60   0.11100  1.0 3.0
   49    46    56    57  -0.11600  1.0 1.0
   49    46    56    57  -0.09450 -1.0 2.0
   49    46    56    57   0.21250  1.0 3.0
   53    46    49    50   0.15000  1.0 3.0
   53    46    49    51   0.15000  1.0 3.0
   53    46    49    52   0.15000  1.0 3.0
   53    46    56    57  -0.11600  1.0 1.0
   53    46    56    57  -0.09450 -1.0 2.0
   53    46    56    57   0.21250  1.0 3.0
   53    60    66    67   7.00000 -1.0 2.0
   53    60    66    68   7.00000 -1.0 2.0
   54    53    60    61   0.33100  1.0 3.0
   54    53    60    66   0.00000  1.0 1.0
   55    53    60    61   0.33100  1.0 3.0
   55    53    60    66   0.00000  1.0 1.0
   60    66    68    69   0.09850  1.0 1.0
   60    66    68    69   0.15250 -1.0 2.0
   60    66    68    69  -0.50650  1.0 3.0
   60    66    68    73   0.09850  1.0 1.0
   60    66    68    73   0.15250 -1.0 2.0
   60    66    68    73  -0.50650  1.0 3.0
   60    66    68    77   0.67800  1.0 1.0
   60    66    68    77   0.47050 -1.0 2.0
   60    66    68    77  -0.62500  1.0 3.0
   61    60    66    67   7.00000 -1.0 2.0
   61    60    66    68   7.00000 -1.0 2.0
   66    68    69    70   0.15000  1.0 3.0
   66    68    69    71   0.15000  1.0 3.0
   66    68    69    72   0.15000  1.0 3.0
   66    68    73    74   0.15000  1.0 3.0
   66    68    73    75   0.15000  1.0 3.0
   66    68    73    76   0.15000  1.0 3.0
   66    68    77    78  -0.07800  1.0 1.0
   66    68    77    78  -0.21500 -1.0 2.0
   66    68    77    78  -0.03150  1.0 3.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    73   0.00000  1.0 1.0
   67    66    68    77   0.00000  1.0 1.0
   69    68    73    74   0.15000  1.0 3.0
   69    68    73    75   0.15000  1.0 3.0
   69    68    73    76   0.15000  1.0 3.0
   69    68    77    78  -0.11600  1.0 1.0
   69    68    77    78  -0.09450 -1.0 2.0
   69    68    77    78   0.21250  1.0 3.0
   73    68    69    70   0.15000  1.0 3.0
   73    68    69    71   0.15000  1.0 3.0
   73    68    69    72   0.15000  1.0 3.0
   73    68    77    78  -0.11600  1.0 1.0
   73    68    77    78  -0.09450 -1.0 2.0
   73    68    77    78   0.21250  1.0 3.0
   77    68    69    70   0.23400  1.0 3.0
   77    68    69    71   0.23400  1.0 3.0
   77    68    69    72   0.23400  1.0 3.0
   77    68    73    74   0.23400  1.0 3.0
   77    68    73    75   0.23400  1.0 3.0
   77    68    73    76   0.23400  1.0 3.0
   56    46    49    50   0.23400  1.0 3.0
   56    46    49    51   0.23400  1.0 3.0
   56    46    49    52   0.23400  1.0 3.0
   56    46    53    54   0.23400  1.0 3.0
   56    46    53    55   0.23400  1.0 3.0
   56    46    53    60   1.05650  1.0 1.0
   56    46    53    60   0.15600 -1.0 2.0
   56    46    53    60   0.53150  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
   43    58    47    48  10.50000 -1.0 2.0
   53    61    60    66  15.00000 -1.0 2.0
   68    67    66    60  15.00000 -1.0 2.0
END
