* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    150    234     438
    1     0 S   NP   _N1_     1    28.80372    96.44010   -21.58823
    2     1 S   H    _HN1     2     1.02958    83.08580    47.62083
    3     1 S   H    _H1_     3     1.02837    39.76754   175.08092
    4     1 S   H    _H2_     4     1.02782    86.53505   -61.31396
    5     1 S   CT   _CA1     5     1.50094   150.35763   167.49449
    6     5 S   HC   _HA1     6     1.09574   105.27268    64.49157
    7     5 S   CO3  _C1_     7     1.53799   112.32294   -55.78785
    8     7 S   O2Z  _O11     8     1.26349   115.03973   -46.33784
    9     7 S   O2Z  _O12     9     1.26236   114.91089   132.97765
   10     5 S   CT   _CB1    10     1.53101   107.43998  -177.60143
   11    10 S   HC   HB11    11     1.09815   109.37029   -50.84248
   12    10 S   HC   HB12    12     1.09822   110.45173    65.73356
   13    10 S   CT   _CG1    13     1.52968   112.58028  -171.99330
   14    13 S   HC   HG11    14     1.09433   110.42791   -60.35949
   15    13 S   HC   HG12    15     1.09648   110.09817    58.54296
   16    13 S   C    _CD1    16     1.51778   112.19941   178.40100
   17    16 S   O    _OE1    17     1.22745   123.06234   -16.16978
   18    16 S   N    _N2_    18     1.38621   111.78734   165.54931
   19    18 S   H    _HN2    19     1.01573   119.07446    -0.38257
   20    18 S   CT1  _CA2    20     1.46177   123.35244   175.90414
   21    20 S   HC   _HA2    21     1.09742   109.33055    -6.36615
   22    20 S   C    _C2_    22     1.53578   108.07718  -121.52811
   23    22 S   O    _O2_    23     1.23029   122.50573  -148.05938
   24    20 S   CT   _CB2    32     1.53376   112.03740   115.92245
   25    24 S   HC   HB21    33     1.09568   110.33436    54.87530
   26    24 S   HC   HB22    34     1.09357   109.33291   173.82270
   27    22 S   N    _N3_    24     1.38405   113.50959    39.32695
   28    27 S   H    _HN3    25     1.01620   119.45947    -3.44327
   29    24 S   S    _SG2    35     1.82757   111.72702   -66.20164
   30    27 S   CT   _CA3    26     1.45282   123.18069   177.13051
   31    30 S   HC   HA31    27     1.09550   107.46183   -65.45433
   32    30 S   HC   HA32    28     1.09557   108.03542    50.98264
   33    29 S   CT   _C20    36     1.88179   100.04587   178.26258
   34    33 S   HC   _H5_    37     1.09961   105.01141   -49.55481
   35    30 S   CO3  _C3_    29     1.52942   114.09765   172.96865
   36    35 S   O2Z  _O31    30     1.26372   116.04609    -2.19651
   37    35 S   O2Z  _O32    31     1.26432   114.41845   177.89839
   38    33 S   CT   _C19    38     1.57801   111.26458    63.19147
   39    38 S   OM   _O35    39     1.32528   112.05172    52.46154
   40    38 S   HC   _H4_    40     1.10111   104.87943   -76.33897
   41    38 S   CT   _C18    41     1.54488   111.07251   172.34922
   42    41 S   HC   _H22    42     1.09923   111.04363  -177.65398
   43    41 S   HC   _H23    43     1.09897   108.70807    66.26785
   44    41 S   CT   _C17    44     1.52446   112.97226   -54.36835
   45    44 S   HC   _H20    45     1.09755   109.18504  -179.56749
   46    44 S   HC   _H21    46     1.09599   110.24517   -63.71918
   47    44 S   CT   _C16    47     1.52632   109.88232    60.51952
   48    47 S   HC   _H3_    48     1.10119   105.69845    69.64775
   49    33 S   CT   _C12    49     1.57965   112.34714  -163.65756
   50    47 S   NT   _N4_    61     1.48498   110.52905  -170.64044
   51    49 S   CA   _C8_    50     1.56603   115.62911    74.54043
   52    50 S   CT   _C14    62     1.47639   105.15869    83.25825
   53    52 S   HC   _H16    63     1.09662   108.98075   -91.77610
   54    52 S   HC   _H17    64     1.09630   113.22251   150.56056
   55    51 S   CA   _C9_    51     1.40624   124.44382   -18.24425
   56    55 S   HA   _H10    52     1.08032   119.78093     3.35544
   57    49 S   CT   _C13    65     1.54874   114.03326   -49.86532
   58    57 S   HC   _H14    66     1.09672   112.36240    94.07934
   59    57 S   HC   _H15    67     1.09366   112.57013   -27.08890
   60    55 S   CA   _C10    53     1.40311   121.57957  -177.91456
   61    60 S   CA   _C5_    54     1.39707   119.08664    -0.26244
   62    60 S   OS   _O34    73     1.37125   125.10022  -179.44786
   63    61 S   CA   _C6_    55     1.39158   120.78860    -1.73754
   64    63 S   HA   _H9_    56     1.08711   119.90891  -177.12574
   65    61 S   OS   _O33    68     1.37270   120.18312  -177.86889
   66    62 S   CT   _C11    74     1.42171   116.96062   -11.99769
   67    66 S   HC   _H11    75     1.09395   107.77486  -173.16462
   68    66 S   HC   _H12    76     1.09473   111.02919    69.18850
   69    66 S   HC   _H13    77     1.09478   111.13924   -55.25384
   70    51 S   CA   _C7_    57     1.41859   117.69271   161.96959
   71    65 S   CT   _C4_    69     1.42806   109.99396   -97.44031
   72    71 S   HC   _H6_    70     1.09409   107.81267   176.51384
   73    71 S   HC   _H7_    71     1.09586   111.34898    58.17752
   74    71 S   HC   _H8_    72     1.09547   111.11343   -65.29380
   75    70 S   CT   _C15    58     1.51406   120.61130    -5.66462
   76    75 S   HC   _H18    59     1.09735   110.06710   131.69580
   77    75 S   HC   _H19    60     1.09806   107.73521  -112.80667
  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
  19   8   2   1   1  12   6   5   9   5   4  10   5   4  15   6
  14  12  15   9   5   4  10   4   4   1   1  11  11   6   7   3
   5   3   2   1   1   3   3   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    47    49    51    57  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    47    48    49    51    55    70    50    52    57    58    59  
   38    39    40    41    47    49    51    57  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    47    49    51    57  
   40    41    42    43    44    49  
   41    42    43    44    49  
   42    43    44    45    46    47    48    49    50  
   43    44    45    46    47  
   44    45    46    47  
   45    46    47    48    49    51    75    50    52    57  
   46    47    48    49    50  
   47    48    49    50  
   48    49    51    55    70    75    76    77    50    52    53    54    57    58    59  
   49    51    75    50    52    57  
   51    55    56    60    63    70    75    50    52    53    54    57    58    59  
   52    53    54    57    58    59    51    63    70    75    76    77  
   55    56    60    61    63    64    70    75    76    77    52    57    58    59    62  
   53    54    57    58    59    70    75    76    77  
   54    57    58    59    75  
   57    58    59    75  
   56    60    61    63    70    75    57    65    62    66  
   60    61    70    62  
   58    59    70    75  
   59  
    0  
   61    63    64    70    65    71    62    66    67    68    69  
   63    64    70    75    65    71    72    73    74    62    66  
   66    67    68    69    63    65  
   64    70    75    76    77    65    71  
   70    75    65  
   71    72    73    74    70  
   67    68    69  
   68    69  
   69  
    0  
   75    76    77  
   72    73    74  
   73    74  
   74  
    0  
   76    77  
   77  
    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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    49   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    50   382.000  1.448
   49    51   317.000  1.510
   49    57   268.000  1.529
   51    55   469.000  1.400
   51    70   469.000  1.400
   55    56   367.000  1.080
   55    60   469.000  1.400
   60    61   469.000  1.400
   60    62   450.000  1.364
   61    63   469.000  1.400
   61    65   450.000  1.364
   63    64   367.000  1.080
   63    70   469.000  1.400
   70    75   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    50   382.000  1.448
   50    52   382.000  1.448
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   65    71   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   62    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    49    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    49    47    58.35000  112.70000
   33    49    51    70.00000  112.17500
   33    49    57    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    44    58.35000  112.70000
   40    38    39    45.00000  125.66300
   41    38    39    50.00000  109.50000
   41    38    40    37.50000  110.70000
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    47    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    37.50000  110.70000
   44    41    43    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    49    58.35000  112.70000
   44    47    50    56.20000  109.47000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    49    51    70.00000  112.17500
   47    49    57    58.35000  112.70000
   47    50    75    51.80000  107.20000
   47    50    52    51.80000  107.20000
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    51    55    70.00000  120.00000
   49    51    70    70.00000  120.00000
   49    57    52    58.35000  112.70000
   49    57    58    37.50000  110.70000
   49    57    59    37.50000  110.70000
   51    55    56    35.00000  120.00000
   51    55    60    63.00000  120.00000
   51    70    63    63.00000  120.00000
   51    70    75    70.00000  120.00000
   55    60    61    63.00000  120.00000
   55    60    62    70.00000  120.00000
   60    55    56    35.00000  120.00000
   60    61    63    63.00000  120.00000
   60    61    65    70.00000  120.00000
   60    62    66    75.00000  111.00000
   61    63    64    35.00000  120.00000
   61    63    70    63.00000  120.00000
   61    65    71    75.00000  111.00000
   63    70    75    70.00000  120.00000
   70    51    55    63.00000  120.00000
   70    63    64    35.00000  120.00000
   70    75    76    35.00000  109.50000
   70    75    77    35.00000  109.50000
   70    75    50    75.00000  112.33000
   75    50    52    51.80000  107.20000
   77    75    76    33.00000  107.80000
   50    47    48    35.00000  109.50000
   50    47    49    56.20000  109.47000
   50    75    76    35.00000  109.50000
   50    75    77    35.00000  109.50000
   50    52    53    35.00000  109.50000
   50    52    54    35.00000  109.50000
   50    52    57    56.20000  109.47000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   54    52    53    33.00000  107.80000
   57    49    51    70.00000  112.17500
   57    52    53    37.50000  110.70000
   57    52    54    37.50000  110.70000
   59    57    58    33.00000  107.80000
   65    61    63    70.00000  120.00000
   65    71    72    35.00000  109.50000
   65    71    73    35.00000  109.50000
   65    71    74    35.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   62    60    61    70.00000  120.00000
   62    66    67    35.00000  109.50000
   62    66    68    35.00000  109.50000
   62    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  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    49    47   0.44750  1.0 1.0
   29    33    49    47  -0.17800 -1.0 2.0
   29    33    49    47   0.20200  1.0 3.0
   29    33    49    51   0.56750  1.0 1.0
   29    33    49    51  -0.07550 -1.0 2.0
   29    33    49    51   0.20000  1.0 3.0
   29    33    49    57   0.44750  1.0 1.0
   29    33    49    57  -0.17800 -1.0 2.0
   29    33    49    57   0.20200  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    44   0.56750  1.0 1.0
   33    38    41    44  -0.07550 -1.0 2.0
   33    38    41    44   0.20000  1.0 3.0
   33    49    51    55   0.04150 -1.0 2.0
   33    49    51    70   0.04150 -1.0 2.0
   33    49    57    52   0.56750  1.0 1.0
   33    49    57    52  -0.07550 -1.0 2.0
   33    49    57    52   0.20000  1.0 3.0
   33    49    57    58   0.15000  1.0 3.0
   33    49    57    59   0.15000  1.0 3.0
   34    33    38    39   0.23400  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    49    47   0.15000  1.0 3.0
   34    33    49    51   0.43200  1.0 3.0
   34    33    49    57   0.15000  1.0 3.0
   38    33    49    47   0.56750  1.0 1.0
   38    33    49    47  -0.07550 -1.0 2.0
   38    33    49    47   0.20000  1.0 3.0
   38    33    49    51  -0.03700  1.0 1.0
   38    33    49    51   0.37200 -1.0 2.0
   38    33    49    51  -0.47300  1.0 3.0
   38    33    49    57   0.56750  1.0 1.0
   38    33    49    57  -0.07550 -1.0 2.0
   38    33    49    57   0.20000  1.0 3.0
   38    41    44    45   0.15000  1.0 3.0
   38    41    44    46   0.15000  1.0 3.0
   38    41   -44    47   0.56750  1.0 1.0
   38    41   -44    47  -0.07550 -1.0 2.0
   38    41   -44    47   0.20000  1.0 3.0
   39    38    41    42   0.23400  1.0 3.0
   39    38    41    43   0.23400  1.0 3.0
   39    38    41    44   0.62750  1.0 1.0
   39    38    41    44  -0.30950 -1.0 2.0
   39    38    41    44   0.27300  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    44   0.15000  1.0 3.0
   41    44    47    48   0.15000  1.0 3.0
   41    44    47    49   0.56750  1.0 1.0
   41    44    47    49  -0.07550 -1.0 2.0
   41    44    47    49   0.20000  1.0 3.0
   41    44    47    50   1.53400  1.0 1.0
   41    44    47    50  -0.09950 -1.0 2.0
   41    44    47    50   0.05700  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    46   0.15000  1.0 3.0
   42    41    44    47   0.15000  1.0 3.0
   43    41    44    45   0.15000  1.0 3.0
   43    41    44    46   0.15000  1.0 3.0
   43    41    44    47   0.15000  1.0 3.0
   44    47   -49    33   0.56750  1.0 1.0
   44    47   -49    33  -0.07550 -1.0 2.0
   44    47   -49    33   0.20000  1.0 3.0
   44    47    49    51  -0.03700  1.0 1.0
   44    47    49    51   0.37200 -1.0 2.0
   44    47    49    51  -0.47300  1.0 3.0
   44    47    49    57   0.56750  1.0 1.0
   44    47    49    57  -0.07550 -1.0 2.0
   44    47    49    57   0.20000  1.0 3.0
   44    47    50    75   0.23450  1.0 1.0
   44    47    50    75   0.02050 -1.0 2.0
   44    47    50    75   0.25250  1.0 3.0
   44    47    50    52   0.23450  1.0 1.0
   44    47    50    52   0.02050 -1.0 2.0
   44    47    50    52   0.25250  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    50   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49   0.15000  1.0 3.0
   46    44    47    50   0.15000  1.0 3.0
   47    49    51    55   0.04150 -1.0 2.0
   47    49    51    70   0.04150 -1.0 2.0
   47    49   -57    52   0.56750  1.0 1.0
   47    49   -57    52  -0.07550 -1.0 2.0
   47    49   -57    52   0.20000  1.0 3.0
   47    49    57    58   0.15000  1.0 3.0
   47    49    57    59   0.15000  1.0 3.0
   47    50    52    53   0.28000  1.0 3.0
   47    50    52    54   0.28000  1.0 3.0
   47    50   -52    57   0.23450  1.0 1.0
   47    50   -52    57   0.02050 -1.0 2.0
   47    50   -52    57   0.25250  1.0 3.0
   48    47    49    33   0.15000  1.0 3.0
   48    47    49    51   0.43200  1.0 3.0
   48    47    49    57   0.15000  1.0 3.0
   48    47    50    75   0.28000  1.0 3.0
   48    47    50    52   0.28000  1.0 3.0
   49    33    38    39   0.62750  1.0 1.0
   49    33    38    39  -0.30950 -1.0 2.0
   49    33    38    39   0.27300  1.0 3.0
   49    33    38    40   0.15000  1.0 3.0
   49    33   -38    41   0.56750  1.0 1.0
   49    33   -38    41  -0.07550 -1.0 2.0
   49    33   -38    41   0.20000  1.0 3.0
   49    47    50    75   0.23450  1.0 1.0
   49    47    50    75   0.02050 -1.0 2.0
   49    47    50    75   0.25250  1.0 3.0
   49    47   -50    52   0.23450  1.0 1.0
   49    47   -50    52   0.02050 -1.0 2.0
   49    47   -50    52   0.25250  1.0 3.0
   49    51    55    56   3.62500 -1.0 2.0
   49    51    55    60   3.62500 -1.0 2.0
   49    51    70    63   3.62500 -1.0 2.0
   49    51   -70    75   3.62500 -1.0 2.0
   51    49    57    52  -0.03700  1.0 1.0
   51    49    57    52   0.37200 -1.0 2.0
   51    49    57    52  -0.47300  1.0 3.0
   51    49    57    58   0.43200  1.0 3.0
   51    49    57    59   0.43200  1.0 3.0
   51    55    60    61   3.62500 -1.0 2.0
   51    55    60    62   3.62500 -1.0 2.0
   51    70    75    76   0.00000  1.0 1.0
   51    70    75    77   0.00000  1.0 1.0
   51    70    75    50   0.18550 -1.0 2.0
   51    70    75    50   0.14000  1.0 3.0
   55    51    70    63   3.62500 -1.0 2.0
   55    51    70    75   3.62500 -1.0 2.0
   55    60   -61    63   3.62500 -1.0 2.0
   55    60    61    65   3.62500 -1.0 2.0
   55    60    62    66   1.63200 -1.0 2.0
   56    55    60    61   3.62500 -1.0 2.0
   56    55    60    62   3.62500 -1.0 2.0
   60    61    63    64   3.62500 -1.0 2.0
   60    61    63    70   3.62500 -1.0 2.0
   60    61    65    71   1.63200 -1.0 2.0
   60    62    66    67   0.08050  1.0 3.0
   60    62    66    68   0.08050  1.0 3.0
   60    62    66    69   0.08050  1.0 3.0
   61    60    62    66   1.63200 -1.0 2.0
   61    63   -70    51   3.62500 -1.0 2.0
   61    63    70    75   3.62500 -1.0 2.0
   61    65    71    72   0.08050  1.0 3.0
   61    65    71    73   0.08050  1.0 3.0
   61    65    71    74   0.08050  1.0 3.0
   63    61    65    71   1.63200 -1.0 2.0
   63    70    75    76   0.00000  1.0 1.0
   63    70    75    77   0.00000  1.0 1.0
   63    70    75    50   0.18550 -1.0 2.0
   63    70    75    50   0.14000  1.0 3.0
   64    63    70    51   3.62500 -1.0 2.0
   64    63    70    75   3.62500 -1.0 2.0
   70    51    55    56   3.62500 -1.0 2.0
   70    51   -55    60   3.62500 -1.0 2.0
   70    75   -50    47   0.82600  1.0 1.0
   70    75   -50    47  -0.32100 -1.0 2.0
   70    75   -50    47   1.02000  1.0 3.0
   70    75    50    52   0.82600  1.0 1.0
   70    75    50    52  -0.32100 -1.0 2.0
   70    75    50    52   1.02000  1.0 3.0
   75    50    52    53   0.28000  1.0 3.0
   75    50    52    54   0.28000  1.0 3.0
   75    50    52    57   0.23450  1.0 1.0
   75    50    52    57   0.02050 -1.0 2.0
   75    50    52    57   0.25250  1.0 3.0
   76    75    50    47   0.28000  1.0 3.0
   76    75    50    52   0.28000  1.0 3.0
   77    75    50    47   0.28000  1.0 3.0
   77    75    50    52   0.28000  1.0 3.0
   50    47    49    33   1.53400  1.0 1.0
   50    47    49    33  -0.09950 -1.0 2.0
   50    47    49    33   0.05700  1.0 3.0
   50    47   -49    51   0.83750  1.0 1.0
   50    47   -49    51   0.32200 -1.0 2.0
   50    47   -49    51   0.70600  1.0 3.0
   50    47   -49    57   1.53400  1.0 1.0
   50    47   -49    57  -0.09950 -1.0 2.0
   50    47   -49    57   0.05700  1.0 3.0
   50    52   -57    49   1.53400  1.0 1.0
   50    52   -57    49  -0.09950 -1.0 2.0
   50    52   -57    49   0.05700  1.0 3.0
   50    52    57    58   0.15000  1.0 3.0
   50    52    57    59   0.15000  1.0 3.0
   53    52    57    49   0.15000  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    59   0.15000  1.0 3.0
   54    52    57    49   0.15000  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    59   0.15000  1.0 3.0
   57    49    51    55   0.04150 -1.0 2.0
   57    49    51    70   0.04150 -1.0 2.0
   65    61    63    64   3.62500 -1.0 2.0
   65    61    63    70   3.62500 -1.0 2.0
   62    60    61    63   3.62500 -1.0 2.0
   62    60    61    65   3.62500 -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
   36    30    35    37  10.50000 -1.0 2.0
   55    70    51    49   4.00000 -1.0 2.0
   60    56    55    51   1.10000 -1.0 2.0
   61    62    60    55   4.00000 -1.0 2.0
   63    65    61    60   4.00000 -1.0 2.0
   70    64    63    61   1.10000 -1.0 2.0
   63    75    70    51   4.00000 -1.0 2.0
END
