* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    154    243     450
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02081   102.57783   -41.73008
    3     1 S   H    _H1_     3     1.02058    73.09666    64.27943
    4     1 S   H    _H2_     4     1.02155    40.76651  -145.86262
    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     1.08639   110.48971    58.89540
   26    24 S   HC   HB22    34     1.08640   109.89279   178.97703
   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   S    _S1_    36     2.05163   101.84830   159.98656
   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   _C18    37     1.83482   101.06137  -119.96777
   38    37 S   C    _C19    38     1.52134   108.02057   -60.01539
   39    38 S   O    _O36    39     1.23373   120.29853    76.99949
   40    37 S   CT   _C17    68     1.55103   109.35833    63.47867
   41    40 S   HC   _H4_    69     1.09492   113.40435   -37.04145
   42    38 S   N    _N6_    40     1.40215   115.46419   -99.64233
   43    40 S   OH   _O37    70     1.43140   108.45393  -156.67779
   44    43 S   HO   _H19    71     0.96800   106.19190    66.82077
   45    42 S   CT   _C5_    41     1.48845   122.82244    15.61483
   46    42 S   CT   _C20    80     1.46336   117.48216  -176.87413
   47    46 S   HC   _H16    81     1.09322   110.10703    90.04011
   48    46 S   HC   _H17    82     1.09370   110.22744   -30.00845
   49    46 S   HC   _H18    83     1.09381   110.26599  -149.97003
   50    45 S   C    _C6_    42     1.53344   111.26354   -39.81673
   51    50 S   O    _O33    43     1.23285   122.02483  -160.52051
   52    45 S   CT   _C4_    74     1.54438   112.30345  -159.73122
   53    52 S   HC   _H5_    75     1.08361   108.97558   -57.61452
   54    52 S   HC   _H6_    76     1.08301   108.95389  -177.60723
   55    52 S   HC   _H7_    77     1.08313   108.97893    62.35618
   56    45 S   SH   _S2_    78     1.83585   111.38684    80.92480
   57    56 S   HS   _H21    79     1.33801    95.24187   177.45870
   58    37 S   N    _N4_    44     1.45629   112.49146   177.12976
   59    58 S   CP1  _C7_    45     1.45831   112.00562   -90.84125
   60    59 S   HC   _H3_    46     1.09672   109.23286   113.59071
   61    59 S   CT   _C8_    47     1.55551   105.65665    -8.19463
   62    59 S   NE   _N5_    56     1.45812   111.52872  -124.12261
   63    62 S   H    _H9_    57     1.01018   123.45731   -76.13203
   64    61 S   CA   _C9_    48     1.49892   101.38282  -136.19321
   65    61 S   OH   _O38    72     1.41778   109.32770   106.75598
   66    65 S   HO   _H20    73     0.97224   106.95837    50.90620
   67    64 S   CA   _C10    49     1.38424   129.20271  -171.70552
   68    67 S   HA   _H8_    50     1.08567   120.38428     1.82638
   69    67 S   CA   _C11    51     1.39526   118.07134  -177.46395
   70    69 S   Cl   Cl1_    52     1.72699   118.60891   179.95154
   71    69 S   CA   _C12    53     1.40363   120.62180     0.52190
   72    71 S   CA   _C13    54     1.39710   120.69656    -0.29074
   73    71 S   OS   _O35    63     1.36597   120.28100   179.24411
   74    64 S   CA   _C14    55     1.39921   109.20523    10.02570
   75    72 S   OS   _O34    58     1.36036   120.86649   179.20230
   76    73 S   CT   _C16    64     1.42420   116.86674    90.46236
   77    76 S   HC   _H13    65     1.09230   109.54506   180.00000
   78    76 S   HC   _H14    66     1.09297   109.54493    59.13103
   79    76 S   HC   _H15    67     1.09303   108.99036   -60.43788
   80    75 S   CT   _C15    59     1.42719   117.07396   -90.25882
   81    80 S   HC   _H10    60     1.09361   109.49715   179.97202
   82    80 S   HC   _H11    61     1.09311   109.57499    59.21555
   83    80 S   HC   _H12    62     1.09262   109.00254   -60.45516
  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
  11   2   1   1  18  16   5  15   7  14   6   1  14   6   2   1
   1  12   4   6   3   2   1   2   1   8  10   6  10   8   3  10
   3   1   7   4   7   3   9   8   6   2   4   3   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    58    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    50    58    59    61    40    41    43  
   35    36  
   36  
    0  
   38    39    42    45    50    51    58    59    60    61    64    62    40    41    43    44    65    46  
   39    42    45    50    58    59    61    40    41    43    52    56    46    47    48    49  
   42    45    58    40    46  
   41    43    44    65    66    42    50    58    59    60    61    62    64    67    74  
   43    44    65    58    59    61    64  
   45    50    51    58    52    53    54    55    56    57    46    47    48    49  
   44    65    58    59    61    64  
   61  
   50    51    58    59    52    53    54    55    56    57    46    47    48    49  
   47    48    49    50    52    56  
   48    49  
   49  
    0  
   51    58    59    60    61    62    52    53    54    55    56    57  
   58    59    52    56  
   53    54    55    56    57    58  
   54    55    56  
   55    56  
   56  
   57    58  
    0  
   59    60    61    64    74    62    63    65  
   60    61    64    67    72    74    62    63    65    66  
   61    64    74    62    63    65  
   64    67    68    69    72    74    62    63    65    66  
   63    75    65    64    67    71    72    74  
   64    72    74  
   67    68    69    70    71    72    74    75    65    66  
   66    67    74  
    0  
   68    69    70    71    72    74    73  
   69    70    71    74  
   70    71    72    74    75    73    76  
   71    72    73  
   72    74    75    80    73    76    77    78    79  
   74    75    80    81    82    83    73    76  
   76    77    78    79    74    75  
   75    80  
   80    81    82    83  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83  
   82    83  
   83  
    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   0.097500   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  -0.217500   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   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   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   0.340000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   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   3.2500   0.1700  -0.140000   1.8100   1.6000   0.054801302  -1.445846770
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.5000   0.0660  -0.110000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.6000   0.4250  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   57   0.5000   0.0300   0.155000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.2500   0.1700  -0.192500   1.8100   1.6000   0.054801302  -1.445846770
   59   3.5000   0.0660   0.132500   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660   0.380000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.3000   0.1700  -0.702500   2.1120   1.8750   0.051222218  -2.220205820
   63   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   71   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   73   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   75   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   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   166.000  2.038
   33    37   222.000  1.810
   37    38   317.000  1.522
   37    58   337.000  1.449
   37    40   268.000  1.529
   38    39   570.000  1.229
   38    42   490.000  1.335
   42    45   337.000  1.449
   42    46   337.000  1.449
   45    50   317.000  1.522
   45    52   268.000  1.529
   45    56   222.000  1.810
   50    51   570.000  1.229
   50    58   490.000  1.335
   58    59   337.000  1.449
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    62   382.000  1.448
   61    64   317.000  1.510
   61    40   268.000  1.529
   61    65   320.000  1.410
   64    67   469.000  1.400
   64    74   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   300.000  1.725
   69    71   469.000  1.400
   71    72   469.000  1.400
   71    73   450.000  1.364
   72    74   469.000  1.400
   72    75   450.000  1.364
   74    62   481.000  1.340
   62    63   434.000  1.010
   75    80   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   73    76   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   40    41   340.000  1.090
   40    43   320.000  1.410
   43    44   553.000  0.945
   65    66   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   56    57   274.000  1.336
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    68.00000  103.70000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    68.00000  103.70000
   33    37    38    70.00000  112.33000
   33    37    58    80.00000  108.62000
   33    37    40    75.00000  111.63000
   37    38    39    80.00000  120.40000
   37    38    42    70.00000  116.60000
   37    58    50    50.00000  121.90000
   37    58    59    50.00000  118.00000
   37    40    61    58.35000  112.70000
   37    40    41    37.50000  110.70000
   37    40    43    50.00000  109.50000
   38    42    45    50.00000  121.90000
   38    42    46    50.00000  121.90000
   42    38    39    80.00000  122.90000
   42    45    50    75.00000  110.24000
   42    45    52    70.00000  110.72300
   42    45    56    80.00000  108.62000
   42    46    47    35.00000  109.50000
   42    46    48    35.00000  109.50000
   42    46    49    35.00000  109.50000
   45    50    51    80.00000  120.40000
   45    50    58    70.00000  116.60000
   45    52    53    37.50000  110.70000
   45    52    54    37.50000  110.70000
   45    52    55    37.50000  110.70000
   45    56    57    44.00000   96.00000
   50    58    59    50.00000  121.90000
   58    37    38    75.00000  110.24000
   58    50    51    80.00000  122.90000
   58    59    60    35.00000  109.50000
   58    59    61    80.00000  109.70000
   58    59    62    90.00000  107.82800
   59    61    64    70.00000  112.17500
   59    61    40    58.35000  112.70000
   59    61    65    50.00000  109.50000
   59    62    74    50.00000  120.00000
   59    62    63    35.00000  112.50000
   61    59    60    37.50000  110.70000
   61    64    67    70.00000  120.00000
   61    64    74    70.00000  120.00000
   61    40    41    37.50000  110.70000
   61    40    43    50.00000  109.50000
   61    65    66    55.00000  108.50000
   64    67    68    35.00000  120.00000
   64    67    69    63.00000  120.00000
   64    74    72    63.00000  120.00000
   64    74    62    70.00000  120.10000
   67    69    70    75.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    71    72    63.00000  120.00000
   69    71    73    70.00000  120.00000
   71    69    70    75.00000  120.00000
   71    72    74    63.00000  120.00000
   71    72    75    70.00000  120.00000
   71    73    76    75.00000  111.00000
   72    74    62    70.00000  120.10000
   72    75    80    75.00000  111.00000
   74    64    67    63.00000  120.00000
   74    62    63    35.00000  113.50000
   62    59    60    35.00000  109.50000
   62    59    61    80.00000  111.61500
   75    72    74    70.00000  120.00000
   75    80    81    35.00000  109.50000
   75    80    82    35.00000  109.50000
   75    80    83    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   73    71    72    70.00000  120.00000
   73    76    77    35.00000  109.50000
   73    76    78    35.00000  109.50000
   73    76    79    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   40    37    38    63.00000  111.10000
   40    37    58    70.00000  110.72300
   40    61    64    70.00000  112.17500
   40    43    44    55.00000  108.50000
   43    40    41    35.00000  109.50000
   65    61    64    90.00000  112.51600
   65    61    40    50.00000  109.50000
   52    45    50    63.00000  111.10000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   56    45    50    70.00000  113.82000
   56    45    52    50.00000  108.60000
   46    42    45    50.00000  118.00000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.97050  1.0 1.0
   20    24    29    33  -0.41800 -1.0 2.0
   20    24    29    33   0.46750  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    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  -3.49700 -1.0 2.0
   24    29    33    37   0.74750  1.0 3.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.09450  1.0 1.0
   29    33    37    38  -0.17100 -1.0 2.0
   29    33    37    38   0.39050  1.0 3.0
   29    33    37    58   0.00000  1.0 1.0
   29    33    37    40   0.09450  1.0 1.0
   29    33    37    40  -0.17100 -1.0 2.0
   29    33    37    40   0.39100  1.0 3.0
   33    37    38    39   0.30150 -1.0 2.0
   33    37    38    42   0.00000  1.0 1.0
   33    37    58    50  -0.42300  1.0 1.0
   33    37    58    50  -0.07000 -1.0 2.0
   33    37    58    50   0.04150  1.0 3.0
   33    37    58    59   0.17850 -1.0 2.0
   33    37    40    61   0.44750  1.0 1.0
   33    37    40    61  -0.17800 -1.0 2.0
   33    37    40    61   0.20200  1.0 3.0
   33    37    40    41   0.15000  1.0 3.0
   33    37    40    43   0.56750  1.0 1.0
   33    37    40    43  -0.07550 -1.0 2.0
   33    37    40    43   0.20000  1.0 3.0
   37    38    42    45   1.49850  1.0 1.0
   37    38    42    45   1.53950 -1.0 2.0
   37    38    42    46   1.49850  1.0 1.0
   37    38    42    46   1.53950 -1.0 2.0
   37    58    59    60   0.00000  1.0 1.0
   37    58   -59    61  -0.05900 -1.0 2.0
   37    58    59    62   0.17850 -1.0 2.0
   37    40    43    44  -0.11600  1.0 1.0
   37    40    43    44  -0.09450 -1.0 2.0
   37    40    43    44   0.21250  1.0 3.0
   38    37    58    50  -0.42300  1.0 1.0
   38    37    58    50  -0.07000 -1.0 2.0
   38    37    58    50   0.04150  1.0 3.0
   38    37    58    59   0.17850 -1.0 2.0
   38    37    40    61  -0.95700  1.0 1.0
   38    37    40    61  -0.18200 -1.0 2.0
   38    37    40    61   0.29450  1.0 3.0
   38    37    40    41  -0.11250  1.0 3.0
   38    37    40    43  -0.09450  1.0 1.0
   38    37    40    43  -1.12950 -1.0 2.0
   38    37    40    43   0.54000  1.0 3.0
   38    42   -45    50  -0.42300  1.0 1.0
   38    42   -45    50  -0.07000 -1.0 2.0
   38    42   -45    50   0.04150  1.0 3.0
   38    42    45    52  -0.43950  1.0 1.0
   38    42    45    52  -0.08100 -1.0 2.0
   38    42    45    52   0.03350  1.0 3.0
   38    42    45    56  -0.42300  1.0 1.0
   38    42    45    56  -0.07000 -1.0 2.0
   38    42    45    56   0.04150  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    49   0.00000  1.0 1.0
   39    38    42    45   3.04450 -1.0 2.0
   39    38    42    46   3.04450 -1.0 2.0
   42    45    50    51   0.30150 -1.0 2.0
   42    45    50    58   0.00000  1.0 1.0
   42    45    52    53   0.15000  1.0 3.0
   42    45    52    54   0.15000  1.0 3.0
   42    45    52    55   0.15000  1.0 3.0
   42    45    56    57   0.00000  1.0 1.0
   45    42    46    47   0.00000  1.0 1.0
   45    42    46    48   0.00000  1.0 1.0
   45    42    46    49   0.00000  1.0 1.0
   45    50   -58    37   1.49850  1.0 1.0
   45    50   -58    37   1.53950 -1.0 2.0
   45    50    58    59   1.15000  1.0 1.0
   45    50    58    59   3.04450 -1.0 2.0
   50    45    52    53  -0.11250  1.0 3.0
   50    45    52    54  -0.11250  1.0 3.0
   50    45    52    55  -0.11250  1.0 3.0
   50    45    56    57   0.00000  1.0 1.0
   50    58    59    60   0.00000  1.0 1.0
   50    58    59    61   0.25950  1.0 1.0
   50    58    59    61   0.43850 -1.0 2.0
   50    58    59    61   2.61650  1.0 3.0
   50    58    59    62  -0.50000 -1.0 2.0
   51    50    58    37   3.04450 -1.0 2.0
   51    50    58    59   3.04450 -1.0 2.0
   58    37    38    39   0.30150 -1.0 2.0
   58    37   -38    42   0.00000  1.0 1.0
   58    37   -40    61   0.43900  1.0 1.0
   58    37   -40    61   0.49100 -1.0 2.0
   58    37   -40    61   0.28400  1.0 3.0
   58    37    40    41   0.15000  1.0 3.0
   58    37    40    43   2.76900  1.0 1.0
   58    37    40    43  -0.24350 -1.0 2.0
   58    37    40    43  -0.78250  1.0 3.0
   58    59    61    64   0.08550  1.0 1.0
   58    59    61    64   1.07500 -1.0 2.0
   58    59    61    64  -0.10950  1.0 3.0
   58    59   -61    40   0.42250  1.0 1.0
   58    59   -61    40  -0.48100 -1.0 2.0
   58    59   -61    40   0.35650  1.0 3.0
   58    59    61    65   2.76900  1.0 1.0
   58    59    61    65  -0.24350 -1.0 2.0
   58    59    61    65  -0.78250  1.0 3.0
   58    59    62    74  -0.12500  1.0 1.0
   58    59    62    74  -0.12500 -1.0 2.0
   58    59    62    74   0.25000  1.0 3.0
   58    59    62    63  -0.12500  1.0 1.0
   58    59    62    63  -0.12500 -1.0 2.0
   58    59    62    63   0.25000  1.0 3.0
   59    61    64    67   0.04150 -1.0 2.0
   59    61   -64    74   0.04150 -1.0 2.0
   59    61   -40    37   0.56750  1.0 1.0
   59    61   -40    37  -0.07550 -1.0 2.0
   59    61   -40    37   0.20000  1.0 3.0
   59    61    40    41   0.15000  1.0 3.0
   59    61    40    43   0.86500  1.0 1.0
   59    61    40    43  -0.17500 -1.0 2.0
   59    61    40    43   0.20800  1.0 3.0
   59    61    65    66  -0.11600  1.0 1.0
   59    61    65    66  -0.09450 -1.0 2.0
   59    61    65    66   0.21250  1.0 3.0
   60    59    61    64   0.43200  1.0 3.0
   60    59    61    40   0.15000  1.0 3.0
   60    59    61    65   0.23400  1.0 3.0
   60    59    62    74   0.00000  1.0 1.0
   60    59    62    63   0.00000  1.0 1.0
   61    59   -62    74  -0.12500  1.0 1.0
   61    59   -62    74  -0.12500 -1.0 2.0
   61    59   -62    74   0.25000  1.0 3.0
   61    59    62    63   0.00000  1.0 1.0
   61    64    67    68   3.62500 -1.0 2.0
   61    64    67    69   3.62500 -1.0 2.0
   61    64    74    72   3.62500 -1.0 2.0
   61    64   -74    62   3.62500 -1.0 2.0
   61    40    43    44  -0.11600  1.0 1.0
   61    40    43    44  -0.09450 -1.0 2.0
   61    40    43    44   0.21250  1.0 3.0
   64    61    40    37  -0.03700  1.0 1.0
   64    61    40    37   0.37200 -1.0 2.0
   64    61    40    37  -0.47300  1.0 3.0
   64    61    40    41   0.43200  1.0 3.0
   64    61    40    43   1.13150  1.0 1.0
   64    61    40    43  -1.01400 -1.0 2.0
   64    61    65    66   0.31900  1.0 1.0
   64    61    65    66  -0.11800 -1.0 2.0
   64    61    65    66   0.38750  1.0 3.0
   64    67    69    70   3.62500 -1.0 2.0
   64    67    69    71   3.62500 -1.0 2.0
   64    74   -62    59  -1.00000  1.0 1.0
   64    74   -62    59   1.25000 -1.0 2.0
   64    74    62    63   1.00000 -1.0 2.0
   67    64    74    72   3.62500 -1.0 2.0
   67    64    74    62   3.62500 -1.0 2.0
   67    69   -71    72   3.62500 -1.0 2.0
   67    69    71    73   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    71    72    74   3.62500 -1.0 2.0
   69    71    72    75   3.62500 -1.0 2.0
   69    71    73    76   1.63200 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    72   -74    64   3.62500 -1.0 2.0
   71    72    74    62   3.62500 -1.0 2.0
   71    72    75    80   1.63200 -1.0 2.0
   71    73    76    77   0.08050  1.0 3.0
   71    73    76    78   0.08050  1.0 3.0
   71    73    76    79   0.08050  1.0 3.0
   72    71    73    76   1.63200 -1.0 2.0
   72    74    62    59  -1.00000  1.0 1.0
   72    74    62    59   1.25000 -1.0 2.0
   72    74    62    63   1.00000 -1.0 2.0
   72    75    80    81   0.08050  1.0 3.0
   72    75    80    82   0.08050  1.0 3.0
   72    75    80    83   0.08050  1.0 3.0
   74    64    67    68   3.62500 -1.0 2.0
   74    64   -67    69   3.62500 -1.0 2.0
   74    72    75    80   1.63200 -1.0 2.0
   62    59   -61    64   0.08550  1.0 1.0
   62    59   -61    64   1.07500 -1.0 2.0
   62    59   -61    64  -0.10950  1.0 3.0
   62    59    61    40   1.26750  1.0 1.0
   62    59    61    40  -0.00950 -1.0 2.0
   62    59    61    40   0.30600  1.0 3.0
   62    59    61    65   4.07950  1.0 1.0
   62    59    61    65  -0.26450 -1.0 2.0
   62    59    61    65  -0.12150  1.0 3.0
   75    72    74    64   3.62500 -1.0 2.0
   75    72    74    62   3.62500 -1.0 2.0
   73    71    72    74   3.62500 -1.0 2.0
   73    71    72    75   3.62500 -1.0 2.0
   40    37    38    39   0.30150 -1.0 2.0
   40    37    38    42   1.39750  1.0 1.0
   40    37    38    42  -0.07950 -1.0 2.0
   40    37    38    42  -0.18750  1.0 3.0
   40    37    58    50  -0.43950  1.0 1.0
   40    37    58    50  -0.08100 -1.0 2.0
   40    37    58    50   0.03350  1.0 3.0
   40    37   -58    59  -0.05900 -1.0 2.0
   40    61    64    67   0.04150 -1.0 2.0
   40    61    64    74   0.04150 -1.0 2.0
   40    61    65    66  -0.11600  1.0 1.0
   40    61    65    66  -0.09450 -1.0 2.0
   40    61    65    66   0.21250  1.0 3.0
   41    40    43    44   0.19450  1.0 3.0
   65    61    64    67   0.14300 -1.0 2.0
   65    61    64    67   0.00300  1.0 3.0
   65    61    64    74   0.14300 -1.0 2.0
   65    61    64    74   0.00300  1.0 3.0
   65    61    40    37   0.86500  1.0 1.0
   65    61    40    37  -0.17500 -1.0 2.0
   65    61    40    37   0.20800  1.0 3.0
   65    61    40    41   0.23400  1.0 3.0
   65    61    40    43   3.75450  1.0 1.0
   52    45    50    51   0.30150 -1.0 2.0
   52    45    50    58   1.39750  1.0 1.0
   52    45    50    58  -0.07950 -1.0 2.0
   52    45    50    58  -0.18750  1.0 3.0
   52    45    56    57  -0.37950  1.0 1.0
   52    45    56    57  -0.15600 -1.0 2.0
   52    45    56    57   0.18750  1.0 3.0
   56    45    50    51   0.30150 -1.0 2.0
   56    45    50    58   0.00000  1.0 1.0
   56    45    52    53   0.15000  1.0 3.0
   56    45    52    54   0.15000  1.0 3.0
   56    45    52    55   0.15000  1.0 3.0
   46    42    45    50   0.17850 -1.0 2.0
   46    42    45    52  -0.05900 -1.0 2.0
   46    42    45    56   0.17850 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    42    38    39  10.50000 -1.0 2.0
   46    38    42    45   1.00000 -1.0 2.0
   45    58    50    51  10.50000 -1.0 2.0
   59    50    58    37   1.00000 -1.0 2.0
   67    74    64    61   4.00000 -1.0 2.0
   69    68    67    64   1.10000 -1.0 2.0
   71    70    69    67   4.00000 -1.0 2.0
   72    73    71    69   4.00000 -1.0 2.0
   74    75    72    71   4.00000 -1.0 2.0
   72    62    74    64   4.00000 -1.0 2.0
   63    74    62    59   1.00000 -1.0 2.0
END
