* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    146    235     439
    1     0 S   NP   _N1_     1    28.92049    99.82172   -19.37346
    2     1 S   H    _HN1     2     1.02773    90.93322  -104.06713
    3     1 S   H    _H1_     3     1.02956    57.65989     7.21428
    4     1 S   H    _H2_     4     1.02832    60.78452   145.84121
    5     1 S   CT   _CA1     5     1.50157   156.71455    71.77546
    6     5 S   HC   _HA1     6     1.09573   105.15686   122.89566
    7     5 S   CO3  _C1_     7     1.53696   112.50932     2.79064
    8     7 S   O2Z  _O11     8     1.26379   114.96846   -39.19407
    9     7 S   O2Z  _O12     9     1.26234   114.98135   139.95409
   10     5 S   CT   _CB1    10     1.53085   107.41567  -119.13221
   11    10 S   HC   HB11    11     1.09831   109.17262   -49.65893
   12    10 S   HC   HB12    12     1.09817   110.46817    66.87244
   13    10 S   CT   _CG1    13     1.53044   112.79399  -170.72256
   14    13 S   HC   HG11    14     1.09570   110.58348   -68.44901
   15    13 S   HC   HG12    15     1.09667   109.83009    50.77755
   16    13 S   C    _CD1    16     1.51864   112.19495   171.06954
   17    16 S   O    _OE1    17     1.22761   123.24191     6.63726
   18    16 S   N    _N2_    18     1.38495   111.78566  -173.44450
   19    18 S   H    _HN2    19     1.01584   119.06773     2.74638
   20    18 S   CT1  _CA2    20     1.45975   122.95800   176.53785
   21    20 S   HC   _HA2    21     1.09723   108.97882    25.05707
   22    20 S   C    _C2_    22     1.52902   106.80763   -92.06309
   23    22 S   O    _O2_    23     1.22998   122.99190   -28.44403
   24    20 S   CT   _CB2    32     1.53214   111.93814   148.42841
   25    24 S   HC   HB21    33     1.09261   109.30271    54.77938
   26    24 S   HC   HB22    34     1.09483   110.32807   173.12648
   27    22 S   N    _N3_    24     1.38493   112.65329   154.15375
   28    27 S   H    _HN3    25     1.01660   120.38025    -1.37188
   29    24 S   S    _SG2    35     1.82633   110.17875   -67.38183
   30    27 S   CT   _CA3    26     1.45355   122.37566   178.77060
   31    30 S   HC   HA31    27     1.09571   107.59351   -60.36707
   32    30 S   HC   HA32    28     1.09573   107.78732    55.91721
   33    29 S   CT   _C15    36     1.88087   102.63268   155.57966
   34    30 S   CO3  _C3_    29     1.52876   114.45283   177.84260
   35    34 S   O2Z  _O31    30     1.26318   116.11658    -0.75537
   36    34 S   O2Z  _O32    31     1.26459   114.38593   179.28318
   37    33 S   CT   _C14    37     1.55352   108.89115   -64.24248
   38    37 S   HC   _H6_    38     1.09382   113.23367    71.12159
   39    33 S   CT   _C16    73     1.60893   108.71565    55.32944
   40    39 S   OM   _O35    74     1.32619   111.02782    56.15548
   41    39 S   HC   _H14    75     1.10272   105.02334   -71.13636
   42    39 S   HC   _H15    76     1.09729   107.67515  -175.88753
   43    37 S   CT   _C13    39     1.53842   104.46533  -170.62585
   44    43 S   HC   _H5_    40     1.09630   109.70594   -87.33827
   45    37 S   OS   _O36    61     1.42848   109.74816   -47.79021
   46    43 S   CT   _C12    41     1.53184   105.01366    29.62629
   47    46 S   HC   _H12    42     1.08870   112.85916   131.47000
   48    46 S   HC   _H13    43     1.09758   108.67510  -113.41612
   49    43 S   OH   _O37    71     1.41431   113.22911   153.76340
   50    49 S   HO   _H16    72     0.97229   107.51867  -177.38132
   51    33 S   CT   _C11    44     1.62137   117.00101  -171.30663
   52    51 S   CT   _C8_    45     1.63739   113.87769    49.64796
   53    51 S   CT   _C17    67     1.53836   113.23864   -79.23669
   54    53 S   HC   _H17    68     1.09416   111.53354    57.14459
   55    53 S   HC   _H18    69     1.09437   112.07913   -63.53530
   56    53 S   HC   _H19    70     1.09307   112.05262   178.54680
   57    52 S   CT   _C7_    46     1.56855   109.14970    45.00169
   58    57 S   HC   _H3_    47     1.09609   108.09823    91.56561
   59    52 S   CT   _C18    62     1.58547   110.79191   161.94947
   60    59 S   HC   _H20    63     1.09297   111.80466    53.81255
   61    59 S   HC   _H21    64     1.09195   111.86176   -67.02766
   62    57 S   CM   _C6_    48     1.50142   116.09149  -151.66863
   63    62 S   HC   _H10    49     1.08955   114.80187  -171.52569
   64    59 S   OH   _O38    65     1.42499   112.51582   174.85844
   65    64 S   HO   _H22    66     0.97237   107.15436  -177.18207
   66    62 S   CM   _C5_    50     1.33795   127.15041     7.17069
   67    66 S   CO4  _C10    51     1.48390   119.00803     1.25180
   68    67 S   O    _O33    52     1.23236   119.91838  -170.94527
   69    66 S   CT   _C4_    57     1.49586   123.28097  -177.32497
   70    69 S   HC   _H7_    58     1.09492   110.66242   122.31840
   71    69 S   HC   _H8_    59     1.09437   111.80376     2.72376
   72    69 S   HC   _H9_    60     1.09482   110.37607  -117.39820
   73    52 S   CT   _C9_    53     1.56723   112.46794   -79.51760
   74    73 S   HC   _H4_    54     1.08279   112.56631    42.05082
   75    73 S   OH   _O34    55     1.42952   111.15403   -75.52069
   76    75 S   HO   _H11    56     0.97332   107.30378   177.38326
  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  13   5   4   3
  22   2   1   1  19   8   9   3   2   1  11   7  11  13   5   4
   2   1  16  20   6   2   1   1  13   5   9   4   3   9   3   2
   1   9   9   4   4   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    46    51    52    45    53    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    46    47    48    51    52    57    73    45    59    53    54    55    56    49    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    46    47    48    51    52    57    58    62    45    53    49    50    39    40    41    42  
   43    44    46    51    57    45    49    39  
   40    41    42    43    45    46    51    52    53  
   41    42    51  
   42    51  
   51  
   44    46    47    48    51    52    57    45    53    49    50  
   46    47    48    51    45    49    50  
   59    49    46    51    52    57    58    62    63    66    73  
   47    48    51    52    57    73    59    53    54    55    56    49    50  
   48    51    52    53    49  
   51    52    53    49  
   50    51  
    0  
   52    57    58    62    67    73    74    75    59    60    61    64    53    54    55    56  
   57    58    62    63    66    67    68    73    74    75    76    59    60    61    64    65    53    54    55    56  
   54    55    56    57    59    73  
   55    56  
   56  
    0  
   58    62    63    66    67    73    74    75    69    59    60    61    64  
   62    63    66    73    59  
   60    61    64    65    62    67    73    74    75  
   61    64    65    73  
   64    65    73  
   63    66    67    68    73    69    70    71    72  
   66    67    69  
   65    73  
    0  
   67    68    73    74    75    69    70    71    72  
   68    73    74    75    76    69    70    71    72  
   73    74    75    69  
   70    71    72    73  
   71    72  
   72  
    0  
   74    75    76  
   75    76  
   76  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   39   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   222.000  1.810
   33    37   268.000  1.529
   33    51   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   268.000  1.529
   37    45   320.000  1.410
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    49   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   268.000  1.529
   51    53   268.000  1.529
   52    57   268.000  1.529
   52    73   268.000  1.529
   52    59   268.000  1.529
   57    58   340.000  1.090
   57    62   317.000  1.510
   57    45   320.000  1.410
   62    63   340.000  1.080
   62    66   549.000  1.340
   66    67   320.000  1.462
   66    69   317.000  1.510
   67    68   570.000  1.229
   67    73   317.000  1.522
   73    74   340.000  1.090
   73    75   320.000  1.410
   75    76   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   320.000  1.410
   64    65   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   49    50   553.000  0.945
   39    40   570.000  1.307
   39    41   340.000  1.090
   39    42   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    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    37    75.00000  111.63000
   29    33    51    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    37    45    50.00000  109.50000
   33    51    46    58.35000  112.70000
   33    51    52    58.35000  112.70000
   33    51    53    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    37.50000  110.70000
   37    43    46    58.35000  112.70000
   37    43    49    50.00000  109.50000
   37    45    57    60.00000  109.50000
   43    37    38    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    51    58.35000  112.70000
   43    49    50    55.00000  108.50000
   46    43    44    37.50000  110.70000
   46    51    52    58.35000  112.70000
   46    51    53    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    33    37    58.35000  112.70000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    52    57    58.35000  112.70000
   51    52    73    58.35000  112.70000
   51    52    59    58.35000  112.70000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    56    37.50000  110.70000
   52    57    58    37.50000  110.70000
   52    57    62    70.00000  112.02700
   52    57    45    50.00000  109.50000
   52    73    67    63.00000  111.10000
   52    73    74    37.50000  110.70000
   52    73    75    50.00000  109.50000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    64    50.00000  109.50000
   57    62    63    35.00000  117.00000
   57    62    66    70.00000  124.00000
   62    57    58    35.00000  109.50000
   62    66    67    65.00000  118.96000
   62    66    69    70.00000  124.00000
   66    62    63    35.00000  120.00000
   66    67    68    80.00000  123.72100
   66    67    73    65.00000  118.62400
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    72    35.00000  109.50000
   67    73    74    35.00000  109.50000
   67    73    75    90.00000  109.61100
   73    52    57    58.35000  112.70000
   73    67    68    80.00000  120.40000
   73    75    76    55.00000  108.50000
   75    73    74    35.00000  109.50000
   69    66    67    65.00000  116.34900
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   45    37    38    35.00000  109.50000
   45    37    43    50.00000  109.50000
   45    57    58    35.00000  109.50000
   45    57    62    85.00000  110.90400
   59    52    57    58.35000  112.70000
   59    52    73    58.35000  112.70000
   59    64    65    55.00000  108.50000
   61    59    60    33.00000  107.80000
   64    59    60    35.00000  109.50000
   64    59    61    35.00000  109.50000
   53    51    52    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   49    43    44    35.00000  109.50000
   49    43    46    50.00000  109.50000
   39    33    37    58.35000  112.70000
   39    33    51    58.35000  112.70000
   41    39    40    45.00000  125.66300
   42    39    40    45.00000  125.66300
   42    39    41    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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  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    37    38   0.15000  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    45   0.56750  1.0 1.0
   29    33    37    45  -0.07550 -1.0 2.0
   29    33    37    45   0.20000  1.0 3.0
   29    33    51    46   0.44750  1.0 1.0
   29    33    51    46  -0.17800 -1.0 2.0
   29    33    51    46   0.20200  1.0 3.0
   29    33    51    52   0.44750  1.0 1.0
   29    33    51    52  -0.17800 -1.0 2.0
   29    33    51    52   0.20200  1.0 3.0
   29    33    51    53   0.44750  1.0 1.0
   29    33    51    53  -0.17800 -1.0 2.0
   29    33    51    53   0.20200  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37   -43    46   0.56750  1.0 1.0
   33    37   -43    46  -0.07550 -1.0 2.0
   33    37   -43    46   0.20000  1.0 3.0
   33    37    43    49   0.86500  1.0 1.0
   33    37    43    49  -0.17500 -1.0 2.0
   33    37    43    49   0.20800  1.0 3.0
   33    37    45    57   0.06250  1.0 1.0
   33    37    45    57  -0.01100 -1.0 2.0
   33    37    45    57   0.28050  1.0 3.0
   33    51   -52    57   0.56750  1.0 1.0
   33    51   -52    57  -0.07550 -1.0 2.0
   33    51   -52    57   0.20000  1.0 3.0
   33    51    52    73   0.56750  1.0 1.0
   33    51    52    73  -0.07550 -1.0 2.0
   33    51    52    73   0.20000  1.0 3.0
   33    51    52    59   0.56750  1.0 1.0
   33    51    52    59  -0.07550 -1.0 2.0
   33    51    52    59   0.20000  1.0 3.0
   33    51    53    54   0.15000  1.0 3.0
   33    51    53    55   0.15000  1.0 3.0
   33    51    53    56   0.15000  1.0 3.0
   37    33   -51    46   0.56750  1.0 1.0
   37    33   -51    46  -0.07550 -1.0 2.0
   37    33   -51    46   0.20000  1.0 3.0
   37    33    51    52   0.56750  1.0 1.0
   37    33    51    52  -0.07550 -1.0 2.0
   37    33    51    52   0.20000  1.0 3.0
   37    33    51    53   0.56750  1.0 1.0
   37    33    51    53  -0.07550 -1.0 2.0
   37    33    51    53   0.20000  1.0 3.0
   37    33    39    40   0.62750  1.0 1.0
   37    33    39    40  -0.30950 -1.0 2.0
   37    33    39    40   0.27300  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    46    47   0.15000  1.0 3.0
   37    43    46    48   0.15000  1.0 3.0
   37    43   -46    51   0.56750  1.0 1.0
   37    43   -46    51  -0.07550 -1.0 2.0
   37    43   -46    51   0.20000  1.0 3.0
   37    43    49    50  -0.11600  1.0 1.0
   37    43    49    50  -0.09450 -1.0 2.0
   37    43    49    50   0.21250  1.0 3.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    46   0.15000  1.0 3.0
   38    37    43    49   0.23400  1.0 3.0
   38    37    45    57   0.37050  1.0 3.0
   43    37    45    57   0.06250  1.0 1.0
   43    37    45    57  -0.01100 -1.0 2.0
   43    37    45    57   0.28050  1.0 3.0
   43    46   -51    33   0.56750  1.0 1.0
   43    46   -51    33  -0.07550 -1.0 2.0
   43    46   -51    33   0.20000  1.0 3.0
   43    46    51    52   0.56750  1.0 1.0
   43    46    51    52  -0.07550 -1.0 2.0
   43    46    51    52   0.20000  1.0 3.0
   43    46    51    53   0.56750  1.0 1.0
   43    46    51    53  -0.07550 -1.0 2.0
   43    46    51    53   0.20000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    51   0.15000  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   46    43    49    50  -0.11600  1.0 1.0
   46    43    49    50  -0.09450 -1.0 2.0
   46    43    49    50   0.21250  1.0 3.0
   46    51    52    57   0.56750  1.0 1.0
   46    51    52    57  -0.07550 -1.0 2.0
   46    51    52    57   0.20000  1.0 3.0
   46    51    52    73   0.56750  1.0 1.0
   46    51    52    73  -0.07550 -1.0 2.0
   46    51    52    73   0.20000  1.0 3.0
   46    51    52    59   0.56750  1.0 1.0
   46    51    52    59  -0.07550 -1.0 2.0
   46    51    52    59   0.20000  1.0 3.0
   46    51    53    54   0.15000  1.0 3.0
   46    51    53    55   0.15000  1.0 3.0
   46    51    53    56   0.15000  1.0 3.0
   47    46    51    33   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   48    46    51    33   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   51    33    37    38   0.15000  1.0 3.0
   51    33   -37    43   0.56750  1.0 1.0
   51    33   -37    43  -0.07550 -1.0 2.0
   51    33   -37    43   0.20000  1.0 3.0
   51    33    37    45   0.62750  1.0 1.0
   51    33    37    45  -0.30950 -1.0 2.0
   51    33    37    45   0.27300  1.0 3.0
   51    33    39    40   0.62750  1.0 1.0
   51    33    39    40  -0.30950 -1.0 2.0
   51    33    39    40   0.27300  1.0 3.0
   51    33    39    41   0.15000  1.0 3.0
   51    33    39    42   0.15000  1.0 3.0
   51    52    57    58   0.15000  1.0 3.0
   51    52    57    62   0.34400  1.0 1.0
   51    52    57    62   0.09450 -1.0 2.0
   51    52    57    62   0.11100  1.0 3.0
   51    52   -57    45   0.62750  1.0 1.0
   51    52   -57    45  -0.30950 -1.0 2.0
   51    52   -57    45   0.27300  1.0 3.0
   51    52    73    67  -0.95700  1.0 1.0
   51    52    73    67  -0.18200 -1.0 2.0
   51    52    73    67   0.29450  1.0 3.0
   51    52    73    74   0.15000  1.0 3.0
   51    52    73    75   0.86500  1.0 1.0
   51    52    73    75  -0.17500 -1.0 2.0
   51    52    73    75   0.20800  1.0 3.0
   51    52    59    60   0.15000  1.0 3.0
   51    52    59    61   0.15000  1.0 3.0
   51    52    59    64   0.86500  1.0 1.0
   51    52    59    64  -0.17500 -1.0 2.0
   51    52    59    64   0.20800  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    56   0.15000  1.0 3.0
   52    57    62    63   0.00000  1.0 1.0
   52    57    62    66   0.09850  1.0 1.0
   52    57    62    66   0.15250 -1.0 2.0
   52    57    62    66  -0.50650  1.0 3.0
   52    57   -45    37   0.06250  1.0 1.0
   52    57   -45    37  -0.01100 -1.0 2.0
   52    57   -45    37   0.28050  1.0 3.0
   52    73    75    76  -0.11600  1.0 1.0
   52    73    75    76  -0.09450 -1.0 2.0
   52    73    75    76   0.21250  1.0 3.0
   52    59    64    65  -0.11600  1.0 1.0
   52    59    64    65  -0.09450 -1.0 2.0
   52    59    64    65   0.21250  1.0 3.0
   57    52    73    67  -0.95700  1.0 1.0
   57    52    73    67  -0.18200 -1.0 2.0
   57    52    73    67   0.29450  1.0 3.0
   57    52    73    74   0.15000  1.0 3.0
   57    52    73    75   0.86500  1.0 1.0
   57    52    73    75  -0.17500 -1.0 2.0
   57    52    73    75   0.20800  1.0 3.0
   57    52    59    60   0.15000  1.0 3.0
   57    52    59    61   0.15000  1.0 3.0
   57    52    59    64   0.86500  1.0 1.0
   57    52    59    64  -0.17500 -1.0 2.0
   57    52    59    64   0.20800  1.0 3.0
   57    62   -66    67   7.00000 -1.0 2.0
   57    62    66    69   7.00000 -1.0 2.0
   58    57    62    63   0.33100  1.0 3.0
   58    57    62    66   0.00000  1.0 1.0
   58    57    45    37   0.37050  1.0 3.0
   62    57    45    37  -0.77900  1.0 1.0
   62    57    45    37  -0.36900 -1.0 2.0
   62    57    45    37   0.40400  1.0 3.0
   62    66    67    68   1.00000 -1.0 2.0
   62    66    67    73  -0.33500  1.0 1.0
   62    66    67    73   1.06600 -1.0 2.0
   62    66    67    73  -0.14000  1.0 3.0
   62    66    69    70   0.00000  1.0 1.0
   62    66    69    71   0.00000  1.0 1.0
   62    66    69    72   0.00000  1.0 1.0
   63    62    66    67   7.00000 -1.0 2.0
   63    62    66    69   7.00000 -1.0 2.0
   66    67   -73    52   0.65300  1.0 1.0
   66    67   -73    52  -0.03850 -1.0 2.0
   66    67   -73    52   0.33900  1.0 3.0
   66    67    73    74   0.00000  1.0 1.0
   66    67    73    75   0.65300  1.0 1.0
   66    67    73    75  -0.03850 -1.0 2.0
   66    67    73    75   0.33900  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   67    73    75    76   0.91850  1.0 1.0
   67    73    75    76   0.57950  1.0 3.0
   68    67    73    52   0.30150 -1.0 2.0
   68    67    73    74   0.00000  1.0 1.0
   68    67    73    75   0.30150 -1.0 2.0
   73    52    57    58   0.15000  1.0 3.0
   73    52   -57    62   0.34400  1.0 1.0
   73    52   -57    62   0.09450 -1.0 2.0
   73    52   -57    62   0.11100  1.0 3.0
   73    52    57    45   0.62750  1.0 1.0
   73    52    57    45  -0.30950 -1.0 2.0
   73    52    57    45   0.27300  1.0 3.0
   73    52    59    60   0.15000  1.0 3.0
   73    52    59    61   0.15000  1.0 3.0
   73    52    59    64   0.86500  1.0 1.0
   73    52    59    64  -0.17500 -1.0 2.0
   73    52    59    64   0.20800  1.0 3.0
   74    73    75    76   0.19450  1.0 3.0
   69    66    67    68  -0.64400  1.0 1.0
   69    66    67    68   0.26850 -1.0 2.0
   69    66    67    73   0.25700  1.0 1.0
   69    66    67    73   0.66200 -1.0 2.0
   69    66    67    73   0.04450  1.0 3.0
   45    37    43    44   0.23400  1.0 3.0
   45    37    43    46   0.62750  1.0 1.0
   45    37    43    46  -0.30950 -1.0 2.0
   45    37    43    46   0.27300  1.0 3.0
   45    37    43    49   3.69350  1.0 1.0
   45    37    43    49  -1.82950 -1.0 2.0
   45    57    62    63   0.00000  1.0 1.0
   45    57    62    66   0.39000  1.0 1.0
   45    57    62    66  -0.05800 -1.0 2.0
   45    57    62    66  -0.55150  1.0 3.0
   59    52    57    58   0.15000  1.0 3.0
   59    52    57    62   0.34400  1.0 1.0
   59    52    57    62   0.09450 -1.0 2.0
   59    52    57    62   0.11100  1.0 3.0
   59    52    57    45   0.62750  1.0 1.0
   59    52    57    45  -0.30950 -1.0 2.0
   59    52    57    45   0.27300  1.0 3.0
   59    52    73    67  -0.95700  1.0 1.0
   59    52    73    67  -0.18200 -1.0 2.0
   59    52    73    67   0.29450  1.0 3.0
   59    52    73    74   0.15000  1.0 3.0
   59    52    73    75   0.86500  1.0 1.0
   59    52    73    75  -0.17500 -1.0 2.0
   59    52    73    75   0.20800  1.0 3.0
   60    59    64    65   0.19450  1.0 3.0
   61    59    64    65   0.19450  1.0 3.0
   53    51    52    57   0.56750  1.0 1.0
   53    51    52    57  -0.07550 -1.0 2.0
   53    51    52    57   0.20000  1.0 3.0
   53    51    52    73   0.56750  1.0 1.0
   53    51    52    73  -0.07550 -1.0 2.0
   53    51    52    73   0.20000  1.0 3.0
   53    51    52    59   0.56750  1.0 1.0
   53    51    52    59  -0.07550 -1.0 2.0
   53    51    52    59   0.20000  1.0 3.0
   49    43    46    47   0.23400  1.0 3.0
   49    43    46    48   0.23400  1.0 3.0
   49    43    46    51   0.86500  1.0 1.0
   49    43    46    51  -0.17500 -1.0 2.0
   49    43    46    51   0.20800  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  1.0 3.0
   39    33    37    45   0.62750  1.0 1.0
   39    33    37    45  -0.30950 -1.0 2.0
   39    33    37    45   0.27300  1.0 3.0
   39    33    51    46   0.56750  1.0 1.0
   39    33    51    46  -0.07550 -1.0 2.0
   39    33    51    46   0.20000  1.0 3.0
   39    33    51    52   0.56750  1.0 1.0
   39    33    51    52  -0.07550 -1.0 2.0
   39    33    51    52   0.20000  1.0 3.0
   39    33    51    53   0.56750  1.0 1.0
   39    33    51    53  -0.07550 -1.0 2.0
   39    33    51    53   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   57    63    62    66   1.10000 -1.0 2.0
   67    69    66    62   1.10000 -1.0 2.0
   66    73    67    68  10.50000 -1.0 2.0
END
