* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    147    233     444
    1     0 S   NP   _N1_     1    28.97157    96.09391   -21.15732
    2     1 S   H    _HN1     2     1.02775    92.94767   -88.51652
    3     1 S   H    _H1_     3     1.02942    78.22453    19.69583
    4     1 S   H    _H2_     4     1.02825    39.24511   156.37161
    5     1 S   CT   _CA1     5     1.50239   147.65198   129.23088
    6     5 S   HC   _HA1     6     1.09569   105.05428    77.39988
    7     5 S   CO3  _C1_     7     1.53869   112.42274   -42.49859
    8     7 S   O2Z  _O11     8     1.26462   115.00860   -35.93533
    9     7 S   O2Z  _O12     9     1.26245   114.98579   142.83043
   10     5 S   CT   _CB1    10     1.53098   107.33166  -164.61620
   11    10 S   HC   HB11    11     1.09829   109.35103   -46.11428
   12    10 S   HC   HB12    12     1.09821   110.37401    70.48699
   13    10 S   CT   _CG1    13     1.53057   112.85571  -167.07219
   14    13 S   HC   HG11    14     1.09462   110.51127   -64.92771
   15    13 S   HC   HG12    15     1.09666   109.90492    54.11403
   16    13 S   C    _CD1    16     1.51977   112.18146   174.01421
   17    16 S   O    _OE1    17     1.22767   123.16544    -2.10691
   18    16 S   N    _N2_    18     1.38719   111.91621   178.80090
   19    18 S   H    _HN2    19     1.01578   118.96008    -0.05595
   20    18 S   CT1  _CA2    20     1.46307   123.26010   176.50106
   21    20 S   HC   _HA2    21     1.09744   109.24526    -3.06663
   22    20 S   C    _C2_    22     1.53497   108.45336  -118.29957
   23    22 S   O    _O2_    23     1.23051   122.34130  -148.17329
   24    20 S   CT   _CB2    32     1.53381   112.08222   119.00484
   25    24 S   HC   HB21    33     1.09414   110.47010    59.62850
   26    24 S   HC   HB22    34     1.09558   110.14037   177.17548
   27    22 S   N    _N3_    24     1.38359   113.61360    39.31561
   28    27 S   H    _HN3    25     1.01617   119.52525    -3.58894
   29    24 S   S    _SG2    35     1.82712   111.51883   -64.55730
   30    27 S   CT   _CA3    26     1.45287   123.14315   176.97295
   31    30 S   HC   HA31    27     1.09552   107.53665   -63.55836
   32    30 S   HC   HA32    28     1.09558   107.93381    52.84698
   33    29 S   CT   _C12    36     1.84563   100.77875   132.21640
   34    33 S   HC   _H5_    37     1.09657   105.66621    50.77599
   35    30 S   CO3  _C3_    29     1.52940   114.14244   174.82661
   36    35 S   O2Z  _O31    30     1.26366   116.06909    -0.63551
   37    35 S   O2Z  _O32    31     1.26431   114.40741   179.41751
   38    33 S   CM   _C10    38     1.53393   108.79299   169.36170
   39    33 S   CT   _C13    54     1.53224   113.70203   -67.01262
   40    39 S   HC   _H18    55     1.09727   108.89119   167.76280
   41    39 S   HC   _H19    56     1.09517   111.33997    52.44476
   42    38 S   CT   _C9_    39     1.54981   114.26353    73.85114
   43    42 S   HC   _H4_    40     1.09826   103.63998   -62.24148
   44    38 S   CMA  _C11    75     1.35800   118.18881  -106.55397
   45    44 S   OM   _O33    76     1.25859   134.90529  -179.97202
   46    44 S   HC   _H17    77     1.09246   111.98103     0.41117
   47    42 S   CT   _C8_    41     1.54936   116.92390  -176.74400
   48    47 S   HC   _H15    42     1.09596   110.39353   -50.38969
   49    47 S   HC   _H16    43     1.09781   107.38583    65.76744
   50    47 S   CT   _C7_    44     1.55257   115.83130  -171.22222
   51    50 S   HC   _H3_    45     1.09993   107.14394    99.44771
   52    50 S   CT   _C17    46     1.53615   111.16751   -16.26342
   53    52 S   HC   _H7_    47     1.09532   111.34753   177.96856
   54    50 S   CT   _C5_    65     1.56026   110.81586  -144.87729
   55    54 S   HC   _H11    66     1.09752   109.06202    58.50527
   56    52 S   CT   _C16    48     1.54194   110.63992    58.96999
   57    56 S   HC   _H6_    49     1.09792   107.25752    75.82038
   58    52 S   OH   _O34    63     1.42652   110.91640   -63.84926
   59    58 S   HO   _H22    64     0.97131   107.95602   -63.15262
   60    54 S   CT   _C4_    67     1.53304   112.63658   177.93588
   61    60 S   HC   _H8_    68     1.09515   111.21649    54.04860
   62    60 S   HC   _H9_    69     1.09396   111.47869   -67.09026
   63    60 S   HC   _H10    70     1.09563   110.88381   174.16605
   64    54 S   CT   _C6_    71     1.53629   111.33561   -59.99190
   65    64 S   HC   _H12    72     1.09536   111.10989   -59.04444
   66    64 S   HC   _H13    73     1.09556   110.75845  -178.96902
   67    64 S   HC   _H14    74     1.09396   111.77932    61.80056
   68    42 S   CT   _C15    50     1.56327   112.43707    52.42450
   69    56 S   OH   _O35    61     1.42840   108.65371  -170.89806
   70    69 S   HO   _H23    62     0.97301   108.52140   -56.73297
   71    68 S   CT   _C14    51     1.55322   109.50853   -50.64112
   72    71 S   HC   _H20    52     1.09591   109.46246   -68.21455
   73    71 S   HC   _H21    53     1.09761   110.13681   175.00809
   74    68 S   CT   _C18    57     1.55437   109.80620    68.35504
   75    74 S   HC   _H24    58     1.09452   111.91697    66.71726
   76    74 S   HC   _H25    59     1.09399   112.61423   -53.81596
   77    74 S   HC   _H26    60     1.09640   110.66177  -173.94327
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  15   7   2   1   1  16  10   5   4  22   9   4   1   1  15   6
   5  19   8  14   7  11   8  13   6   3   1   7   3   2   1   3
   2   1   1   9   3   1   6   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    71    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    47    68    71    72    73    39    40    41    44    45    46  
   38    42    71    39    40    41    44  
   36    37  
   37  
    0  
   42    43    47    48    49    50    56    68    71    39    40    41    74    44    45    46  
   40    41    74    44    42    56    68    71    72    73  
   41    68    71    72    73  
   68    71    72    73  
   43    47    48    49    50    51    52    56    57    68    71    72    73    74    75    76    77    69    54    44    45    46  
   47    48    49    50    56    68    71    74    44  
   45    46    47    68  
   46  
    0  
   48    49    50    51    52    53    56    68    71    74    58    54    55    60    64  
   49    50    51    52    68    54  
   50    51    52    68    54  
   51    52    53    56    57    68    69    58    59    54    55    60    61    62    63    64    65    66    67  
   52    53    56    58    54    55    60    64  
   53    56    57    68    71    74    69    70    58    59    54    55    60    64  
   56    57    68    69    58    59    54  
   55    60    61    62    63    64    65    66    67    56    58  
   60    61    62    63    64    65    66    67  
   57    68    71    72    73    74    75    76    77    69    70    58    59  
   68    71    74    69    70    58  
   59    68    69  
    0  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64  
   64  
   65    66    67  
   66    67  
   67  
    0  
   71    72    73    74    75    76    77    69    70  
   70    71    74  
    0  
   72    73    74    75    76    77  
   73    74  
   74  
   75    76    77  
   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   46   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   317.000  1.510
   38    44   465.000  1.376
   42    43   340.000  1.090
   42    47   268.000  1.529
   42    68   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    54   268.000  1.529
   52    53   340.000  1.090
   52    56   268.000  1.529
   52    58   320.000  1.410
   56    57   340.000  1.090
   56    68   268.000  1.529
   56    69   320.000  1.410
   68    71   268.000  1.529
   68    74   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   69    70   553.000  0.945
   58    59   553.000  0.945
   54    55   340.000  1.090
   54    60   268.000  1.529
   54    64   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   44    45   745.000  1.250
   44    46   335.000  1.111
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    42    65.00000  117.92700
   33    38    44    70.00000  124.00000
   33    39    71    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  109.50000
   38    42    47    70.00000  112.02700
   38    42    68    70.00000  112.02700
   38    44    45    65.00000  137.10300
   38    44    46    45.00000  105.30000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    50    58.35000  112.70000
   42    68    56    58.35000  112.70000
   42    68    71    58.35000  112.70000
   42    68    74    58.35000  112.70000
   47    42    43    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    52    58.35000  112.70000
   47    50    54    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    52    53    37.50000  110.70000
   50    52    56    58.35000  112.70000
   50    52    58    50.00000  109.50000
   50    54    55    37.50000  110.70000
   50    54    60    58.35000  112.70000
   50    54    64    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    56    57    37.50000  110.70000
   52    56    68    58.35000  112.70000
   52    56    69    50.00000  109.50000
   52    58    59    55.00000  108.50000
   56    52    53    37.50000  110.70000
   56    68    71    58.35000  112.70000
   56    68    74    58.35000  112.70000
   56    69    70    55.00000  108.50000
   68    42    43    37.50000  110.70000
   68    42    47    58.35000  112.70000
   68    56    57    37.50000  110.70000
   68    71    72    37.50000  110.70000
   68    71    73    37.50000  110.70000
   68    71    39    58.35000  112.70000
   68    74    75    37.50000  110.70000
   68    74    76    37.50000  110.70000
   68    74    77    37.50000  110.70000
   71    39    40    37.50000  110.70000
   71    39    41    37.50000  110.70000
   73    71    72    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    71    72    37.50000  110.70000
   39    71    73    37.50000  110.70000
   41    39    40    33.00000  107.80000
   74    68    71    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   69    56    57    35.00000  109.50000
   69    56    68    50.00000  109.50000
   58    52    53    35.00000  109.50000
   58    52    56    50.00000  109.50000
   54    50    51    37.50000  110.70000
   54    50    52    58.35000  112.70000
   54    60    61    37.50000  110.70000
   54    60    62    37.50000  110.70000
   54    60    63    37.50000  110.70000
   54    64    65    37.50000  110.70000
   54    64    66    37.50000  110.70000
   54    64    67    37.50000  110.70000
   60    54    55    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    54    55    37.50000  110.70000
   64    54    60    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   44    38    42    70.00000  124.00000
   46    44    45    50.00000  124.16400
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    42   0.30250  1.0 1.0
   29    33    38    42  -0.14950 -1.0 2.0
   29    33    38    42   0.36900  1.0 3.0
   29    33    38    44   0.42700  1.0 1.0
   29    33    38    44  -0.70350 -1.0 2.0
   29    33    38    44  -0.43150  1.0 3.0
   29    33    39    71   0.44750  1.0 1.0
   29    33    39    71  -0.17800 -1.0 2.0
   29    33    39    71   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    38    42    43   0.34800  1.0 3.0
   33    38    42    47   0.46850  1.0 1.0
   33    38    42    47   0.08550 -1.0 2.0
   33    38    42    47   0.09800  1.0 3.0
   33    38    42    68   0.46850  1.0 1.0
   33    38    42    68   0.08550 -1.0 2.0
   33    38    42    68   0.09800  1.0 3.0
   33    38    44    45   7.00000 -1.0 2.0
   33    38    44    46   7.00000 -1.0 2.0
   34    33    38    42   0.34800  1.0 3.0
   34    33    38    44   0.00000  1.0 1.0
   34    33    39    71   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   38    33    39    71   0.34400  1.0 1.0
   38    33    39    71   0.09450 -1.0 2.0
   38    33    39    71   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    42    47    48   0.15000  1.0 3.0
   38    42    47    49   0.15000  1.0 3.0
   38    42    47    50   0.34400  1.0 1.0
   38    42    47    50   0.09450 -1.0 2.0
   38    42    47    50   0.11100  1.0 3.0
   38    42    68    56   0.34400  1.0 1.0
   38    42    68    56   0.09450 -1.0 2.0
   38    42    68    56   0.11100  1.0 3.0
   38    42   -68    71   0.34400  1.0 1.0
   38    42   -68    71   0.09450 -1.0 2.0
   38    42   -68    71   0.11100  1.0 3.0
   38    42    68    74   0.34400  1.0 1.0
   38    42    68    74   0.09450 -1.0 2.0
   38    42    68    74   0.11100  1.0 3.0
   42    38    44    45   7.00000 -1.0 2.0
   42    38    44    46   7.00000 -1.0 2.0
   42    47    50    51   0.15000  1.0 3.0
   42    47    50    52   0.56750  1.0 1.0
   42    47    50    52  -0.07550 -1.0 2.0
   42    47    50    52   0.20000  1.0 3.0
   42    47    50    54   0.56750  1.0 1.0
   42    47    50    54  -0.07550 -1.0 2.0
   42    47    50    54   0.20000  1.0 3.0
   42    68    71    72   0.15000  1.0 3.0
   42    68    71    73   0.15000  1.0 3.0
   42    68    71    39   0.56750  1.0 1.0
   42    68    71    39  -0.07550 -1.0 2.0
   42    68    71    39   0.20000  1.0 3.0
   42    68    74    75   0.15000  1.0 3.0
   42    68    74    76   0.15000  1.0 3.0
   42    68    74    77   0.15000  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    50   0.15000  1.0 3.0
   43    42    68    56   0.15000  1.0 3.0
   43    42    68    71   0.15000  1.0 3.0
   43    42    68    74   0.15000  1.0 3.0
   47    42    68    56   0.56750  1.0 1.0
   47    42    68    56  -0.07550 -1.0 2.0
   47    42    68    56   0.20000  1.0 3.0
   47    42    68    71   0.56750  1.0 1.0
   47    42    68    71  -0.07550 -1.0 2.0
   47    42    68    71   0.20000  1.0 3.0
   47    42    68    74   0.56750  1.0 1.0
   47    42    68    74  -0.07550 -1.0 2.0
   47    42    68    74   0.20000  1.0 3.0
   47    50    52    53   0.15000  1.0 3.0
   47    50   -52    56   0.56750  1.0 1.0
   47    50   -52    56  -0.07550 -1.0 2.0
   47    50   -52    56   0.20000  1.0 3.0
   47    50    52    58   0.86500  1.0 1.0
   47    50    52    58  -0.17500 -1.0 2.0
   47    50    52    58   0.20800  1.0 3.0
   47    50    54    55   0.15000  1.0 3.0
   47    50    54    60   0.56750  1.0 1.0
   47    50    54    60  -0.07550 -1.0 2.0
   47    50    54    60   0.20000  1.0 3.0
   47    50    54    64   0.56750  1.0 1.0
   47    50    54    64  -0.07550 -1.0 2.0
   47    50    54    64   0.20000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    54   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52   0.15000  1.0 3.0
   49    47    50    54   0.15000  1.0 3.0
   50    52    56    57   0.15000  1.0 3.0
   50    52    56    68   0.56750  1.0 1.0
   50    52    56    68  -0.07550 -1.0 2.0
   50    52    56    68   0.20000  1.0 3.0
   50    52    56    69   0.86500  1.0 1.0
   50    52    56    69  -0.17500 -1.0 2.0
   50    52    56    69   0.20800  1.0 3.0
   50    52    58    59  -0.11600  1.0 1.0
   50    52    58    59  -0.09450 -1.0 2.0
   50    52    58    59   0.21250  1.0 3.0
   50    54    60    61   0.15000  1.0 3.0
   50    54    60    62   0.15000  1.0 3.0
   50    54    60    63   0.15000  1.0 3.0
   50    54    64    65   0.15000  1.0 3.0
   50    54    64    66   0.15000  1.0 3.0
   50    54    64    67   0.15000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    56   0.15000  1.0 3.0
   51    50    52    58   0.23400  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    60   0.15000  1.0 3.0
   51    50    54    64   0.15000  1.0 3.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    60   0.56750  1.0 1.0
   52    50    54    60  -0.07550 -1.0 2.0
   52    50    54    60   0.20000  1.0 3.0
   52    50    54    64   0.56750  1.0 1.0
   52    50    54    64  -0.07550 -1.0 2.0
   52    50    54    64   0.20000  1.0 3.0
   52    56   -68    42   0.56750  1.0 1.0
   52    56   -68    42  -0.07550 -1.0 2.0
   52    56   -68    42   0.20000  1.0 3.0
   52    56    68    71   0.56750  1.0 1.0
   52    56    68    71  -0.07550 -1.0 2.0
   52    56    68    71   0.20000  1.0 3.0
   52    56    68    74   0.56750  1.0 1.0
   52    56    68    74  -0.07550 -1.0 2.0
   52    56    68    74   0.20000  1.0 3.0
   52    56    69    70  -0.11600  1.0 1.0
   52    56    69    70  -0.09450 -1.0 2.0
   52    56    69    70   0.21250  1.0 3.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    68   0.15000  1.0 3.0
   53    52    56    69   0.23400  1.0 3.0
   53    52    58    59   0.19450  1.0 3.0
   56    52    58    59  -0.11600  1.0 1.0
   56    52    58    59  -0.09450 -1.0 2.0
   56    52    58    59   0.21250  1.0 3.0
   56    68    71    72   0.15000  1.0 3.0
   56    68    71    73   0.15000  1.0 3.0
   56    68    71    39   0.56750  1.0 1.0
   56    68    71    39  -0.07550 -1.0 2.0
   56    68    71    39   0.20000  1.0 3.0
   56    68    74    75   0.15000  1.0 3.0
   56    68    74    76   0.15000  1.0 3.0
   56    68    74    77   0.15000  1.0 3.0
   57    56    68    42   0.15000  1.0 3.0
   57    56    68    71   0.15000  1.0 3.0
   57    56    68    74   0.15000  1.0 3.0
   57    56    69    70   0.19450  1.0 3.0
   68    42    47    48   0.15000  1.0 3.0
   68    42    47    49   0.15000  1.0 3.0
   68    42   -47    50   0.56750  1.0 1.0
   68    42   -47    50  -0.07550 -1.0 2.0
   68    42   -47    50   0.20000  1.0 3.0
   68    56    69    70  -0.11600  1.0 1.0
   68    56    69    70  -0.09450 -1.0 2.0
   68    56    69    70   0.21250  1.0 3.0
   68    71   -39    33   0.56750  1.0 1.0
   68    71   -39    33  -0.07550 -1.0 2.0
   68    71   -39    33   0.20000  1.0 3.0
   68    71    39    40   0.15000  1.0 3.0
   68    71    39    41   0.15000  1.0 3.0
   71    68    74    75   0.15000  1.0 3.0
   71    68    74    76   0.15000  1.0 3.0
   71    68    74    77   0.15000  1.0 3.0
   72    71    39    33   0.15000  1.0 3.0
   72    71    39    40   0.15000  1.0 3.0
   72    71    39    41   0.15000  1.0 3.0
   73    71    39    33   0.15000  1.0 3.0
   73    71    39    40   0.15000  1.0 3.0
   73    71    39    41   0.15000  1.0 3.0
   39    33   -38    42   0.46850  1.0 1.0
   39    33   -38    42   0.08550 -1.0 2.0
   39    33   -38    42   0.09800  1.0 3.0
   39    33    38    44   0.09850  1.0 1.0
   39    33    38    44   0.15250 -1.0 2.0
   39    33    38    44  -0.50650  1.0 3.0
   74    68    71    72   0.15000  1.0 3.0
   74    68    71    73   0.15000  1.0 3.0
   74    68    71    39   0.56750  1.0 1.0
   74    68    71    39  -0.07550 -1.0 2.0
   74    68    71    39   0.20000  1.0 3.0
   69    56    68    42   0.86500  1.0 1.0
   69    56    68    42  -0.17500 -1.0 2.0
   69    56    68    42   0.20800  1.0 3.0
   69    56    68    71   0.86500  1.0 1.0
   69    56    68    71  -0.17500 -1.0 2.0
   69    56    68    71   0.20800  1.0 3.0
   69    56    68    74   0.86500  1.0 1.0
   69    56    68    74  -0.17500 -1.0 2.0
   69    56    68    74   0.20800  1.0 3.0
   58    52    56    57   0.23400  1.0 3.0
   58    52    56    68   0.86500  1.0 1.0
   58    52    56    68  -0.17500 -1.0 2.0
   58    52    56    68   0.20800  1.0 3.0
   58    52    56    69   3.75450  1.0 1.0
   54    50    52    53   0.15000  1.0 3.0
   54    50    52    56   0.56750  1.0 1.0
   54    50    52    56  -0.07550 -1.0 2.0
   54    50    52    56   0.20000  1.0 3.0
   54    50    52    58   0.86500  1.0 1.0
   54    50    52    58  -0.17500 -1.0 2.0
   54    50    52    58   0.20800  1.0 3.0
   55    54    60    61   0.15000  1.0 3.0
   55    54    60    62   0.15000  1.0 3.0
   55    54    60    63   0.15000  1.0 3.0
   55    54    64    65   0.15000  1.0 3.0
   55    54    64    66   0.15000  1.0 3.0
   55    54    64    67   0.15000  1.0 3.0
   60    54    64    65   0.15000  1.0 3.0
   60    54    64    66   0.15000  1.0 3.0
   60    54    64    67   0.15000  1.0 3.0
   64    54    60    61   0.15000  1.0 3.0
   64    54    60    62   0.15000  1.0 3.0
   64    54    60    63   0.15000  1.0 3.0
   44    38    42    43   0.00000  1.0 1.0
   44    38    42    47   0.09850  1.0 1.0
   44    38    42    47   0.15250 -1.0 2.0
   44    38    42    47  -0.50650  1.0 3.0
   44    38    42    68   0.09850  1.0 1.0
   44    38    42    68   0.15250 -1.0 2.0
   44    38    42    68  -0.50650  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    42    38    44   1.10000 -1.0 2.0
   45    46    44    38   1.10000 -1.0 2.0
END
