* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    164    261     491
    1     0 S   NP   _N1_     1    30.43014    89.84106   -20.27689
    2     1 S   H    _HN1     2     1.02956   110.88109   -47.79047
    3     1 S   H    _H1_     3     1.02957   117.78255    77.09229
    4     1 S   H    _H2_     4     1.02806    14.32813    32.97302
    5     1 S   CT   _CA1     5     1.50270    97.36166  -165.22480
    6     5 S   HC   _HA1     6     1.09550   105.37986    51.55600
    7     5 S   CO3  _C1_     7     1.53682   112.46715   -69.21871
    8     7 S   O2Z  _O11     8     1.26378   114.97716   -44.31217
    9     7 S   O2Z  _O12     9     1.26219   114.95533   135.02420
   10     5 S   CT   _CB1    10     1.52809   107.12580   169.53298
   11    10 S   HC   HB11    11     1.09732   108.82746   -50.64800
   12    10 S   HC   HB12    12     1.09808   110.37496    65.65200
   13    10 S   CT   _CG1    13     1.52946   113.65265  -171.22687
   14    13 S   HC   HG11    14     1.09480   111.21986   -62.05547
   15    13 S   HC   HG12    15     1.09571   110.89953    57.44879
   16    13 S   C    _CD1    16     1.51485   108.84546   176.22675
   17    16 S   O    _OE1    17     1.22894   121.54598   -76.90565
   18    16 S   N    _N2_    18     1.38339   113.34927   100.34220
   19    18 S   H    _HN2    19     1.01559   119.35276     6.95796
   20    18 S   CT1  _CA2    20     1.46151   123.21628  -173.39610
   21    20 S   HC   _HA2    21     1.09601   109.03852     9.32540
   22    20 S   C    _C2_    22     1.53464   109.54566  -106.17042
   23    22 S   O    _O2_    23     1.23075   122.02483  -142.63846
   24    20 S   CT   _CB2    32     1.53624   111.70239   130.87818
   25    24 S   HC   HB21    33     1.09677   109.34928    70.83785
   26    24 S   HC   HB22    34     1.09512   110.69796  -172.44763
   27    22 S   N    _N3_    24     1.38425   113.79241    44.78319
   28    27 S   H    _HN3    25     1.01454   119.25285     0.46225
   29    24 S   S    _SG2    35     1.83004   115.26044   -47.94403
   30    27 S   CT   _CA3    26     1.45444   123.06146   175.17168
   31    30 S   HC   HA31    27     1.09549   108.81816    31.89925
   32    30 S   HC   HA32    28     1.09484   107.19339   148.86164
   33    29 S   CT   _C8_    36     1.85459   101.34806   -65.56664
   34    33 S   HC   _H4_    37     1.09146   105.79113    41.19463
   35    30 S   CO3  _C3_    29     1.52987   113.55860   -91.24876
   36    35 S   O2Z  _O31    30     1.26374   115.65527   -38.14553
   37    35 S   O2Z  _O32    31     1.26399   114.80681   142.80388
   38    33 S   CM   _C9_    38     1.51732   107.74427   158.37546
   39    33 S   CT   _C7_    50     1.53695   112.67075   -78.99124
   40    39 S   HC   _H3_    51     1.09795   108.76934    49.40667
   41    38 S   CM   _C10    39     1.34116   118.95281  -102.39150
   42    41 S   HC   _H13    40     1.08463   121.88458    -0.28804
   43    39 S   CT   _C5_    52     1.55893   114.38903   170.47533
   44    43 S   HC   _H9_    53     1.09764   109.68198    66.97818
   45    41 S   CO4  _C11    41     1.47715   121.54720   178.15782
   46    45 S   O    _O33    42     1.22792   118.02274  -168.92413
   47    43 S   CT   _C4_    54     1.53619   111.32616  -174.77153
   48    47 S   HC   _H6_    55     1.09524   111.22173    56.97140
   49    47 S   HC   _H7_    56     1.09393   111.52620   -64.06407
   50    47 S   HC   _H8_    57     1.09561   110.83303   177.03747
   51    43 S   CT   _C6_    58     1.53345   112.46422   -52.97428
   52    51 S   HC   _H10    59     1.09522   111.18865   -52.72508
   53    51 S   HC   _H11    60     1.09561   110.94570  -172.87539
   54    51 S   HC   _H12    61     1.09383   111.54776    68.44818
   55    45 S   CT   _C12    43     1.53021   117.01612    13.14008
   56    55 S   HC   _H5_    44     1.10434   103.45119    70.37737
   57    55 S   CT   _C13    45     1.57510   109.72854   -41.76792
   58    38 S   CM   _C14    46     1.47656   117.59829    76.51701
   59    57 S   CT   _C17    64     1.55611   108.01211   179.62570
   60    59 S   HC   _H15    65     1.09840   109.48820   -71.19869
   61    59 S   HC   _H16    66     1.09677   110.40592   170.76273
   62    57 S   CT   _C23    82     1.55184   113.72827   -60.58304
   63    62 S   HC   _H27    83     1.09036   113.04587   -75.11858
   64    62 S   HC   _H28    84     1.09773   110.63902   166.65280
   65    62 S   HC   _H29    85     1.09474   112.81822    46.79176
   66    58 S   CM   _C15    47     1.35478   119.22810    17.25383
   67    59 S   CT   _C18    67     1.52543   114.97682    49.81140
   68    67 S   HC   _H17    68     1.09423   110.96397    67.15839
   69    67 S   HC   _H18    69     1.09694   108.81802  -176.71598
   70    66 S   CO4  _C16    48     1.50042   121.54453     3.12180
   71    70 S   O    _O34    49     1.23186   119.18413  -173.73453
   72    66 S   OH   _O35    62     1.37777   123.46300  -175.40884
   73    72 S   HO   _H14    63     0.97451   107.22085   177.85452
   74    67 S   CT   _C19    70     1.51845   111.29095   -56.67757
   75    74 S   HC   _H19    71     1.09762   109.05861  -179.41283
   76    74 S   HC   _H20    72     1.09879   108.20032   -64.52894
   77    55 S   CT   _C20    73     1.57088   114.63121  -176.57806
   78    77 S   CT   _C21    74     1.55217   110.06792   -64.07663
   79    78 S   HC   _H21    75     1.09333   112.49640    68.98199
   80    78 S   HC   _H22    76     1.09588   111.29691   -52.07479
   81    78 S   HC   _H23    77     1.09672   110.92983  -171.47873
   82    77 S   CT   _C22    78     1.54243   114.83907    56.84183
   83    82 S   HC   _H24    79     1.09267   112.50993   -57.93485
   84    82 S   HC   _H25    80     1.09721   110.41710  -176.77360
   85    82 S   HC   _H26    81     1.08893   113.24748    64.33658
  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
  16   7   2   1   1  15  17   7   9   4  12   9  11   4   8   3
   2   1   4   2   1   1  24   8  18  14  14   6   5   6   2   1
   1   4   8   5   4   3   1   1   1  11   4   3   8   7   3   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    41    58    70    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    57    58    66    70    71    39    40    43    44    47    51  
   38    41    58    70    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    55    57    58    66    70    39    40    43    72    59    62  
   40    43    44    47    48    49    50    51    52    53    54    72    41    58    66    70    71  
   43    44    47    51    66    70    71  
   42    45    46    55    56    57    58    66    77  
   45    46    55    58  
   44    47    48    49    50    51    52    53    54    66    70    71  
   47    48    49    50    51    52    53    54    70  
   46    55    56    57    58    59    74    77    78    82    62  
   55    56    57    77  
   48    49    50    51    52    53    54    70  
   49    50    51  
   50    51  
   51  
   52    53    54    70  
   53    54  
   54  
    0  
   56    57    58    66    59    60    61    67    74    75    76    77    78    79    80    81    82    83    84    85    62    63    64    65  
   57    58    59    74    77    78    82    62  
   58    66    70    72    59    60    61    67    68    69    74    77    78    82    62    63    64    65  
   66    70    71    72    73    59    60    61    67    77    62    63    64    65  
   60    61    67    68    69    74    75    76    77    62    63    64    65    66  
   61    67    68    69    74    62  
   67    68    69    74    62  
   63    64    65    66    67    77  
   64    65  
   65  
    0  
   70    71    72    73  
   68    69    74    75    76    77    78    82  
   69    74    75    76    77  
   74    75    76    77  
   71    72    73  
   72  
   73  
    0  
   75    76    77    78    79    80    81    82    83    84    85  
   76    77    78    82  
   77    78    82  
   78    79    80    81    82    83    84    85  
   79    80    81    82    83    84    85  
   80    81    82  
   81    82  
   82  
   83    84    85  
   84    85  
   85  
    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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   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    41   549.000  1.340
   38    58   380.000  1.444
   41    42   340.000  1.080
   41    45   320.000  1.462
   45    46   570.000  1.229
   45    55   317.000  1.522
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    77   268.000  1.529
   57    58   317.000  1.510
   57    59   268.000  1.529
   57    62   268.000  1.529
   58    66   549.000  1.340
   66    70   320.000  1.462
   66    72   510.000  1.338
   70    71   570.000  1.229
   70    39   317.000  1.522
   39    40   340.000  1.090
   39    43   268.000  1.529
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    51   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   72    73   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   268.000  1.529
   77    82   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   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  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    58    70.00000  124.00000
   33    39    70    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    65.00000  118.96000
   38    58    57    70.00000  124.00000
   38    58    66    70.00000  123.01800
   41    45    46    80.00000  123.72100
   41    45    55    65.00000  118.62400
   45    41    42    40.00000  117.72500
   45    55    56    35.00000  109.50000
   45    55    57    63.00000  111.10000
   45    55    77    63.00000  111.10000
   55    45    46    80.00000  120.40000
   55    57    58    70.00000  112.02700
   55    57    59    58.35000  112.70000
   55    57    62    58.35000  112.70000
   55    77    74    58.35000  112.70000
   55    77    78    58.35000  112.70000
   55    77    82    58.35000  112.70000
   57    55    56    37.50000  110.70000
   57    58    66    70.00000  124.00000
   57    59    60    37.50000  110.70000
   57    59    61    37.50000  110.70000
   57    59    67    58.35000  112.70000
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    65    37.50000  110.70000
   58    38    41    70.00000  123.01800
   58    66    70    65.00000  118.96000
   58    66    72    80.00000  121.38400
   66    70    71    80.00000  123.72100
   66    70    39    65.00000  118.62400
   66    72    73    70.00000  107.45700
   70    39    40    35.00000  109.50000
   70    39    43    63.00000  111.10000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    70    71    80.00000  120.40000
   39    43    44    37.50000  110.70000
   39    43    47    58.35000  112.70000
   39    43    51    58.35000  112.70000
   43    39    40    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    50    37.50000  110.70000
   43    51    52    37.50000  110.70000
   43    51    53    37.50000  110.70000
   43    51    54    37.50000  110.70000
   47    43    44    37.50000  110.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   51    43    44    37.50000  110.70000
   51    43    47    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   72    66    70    85.00000  116.28000
   59    57    58    70.00000  112.02700
   59    67    68    37.50000  110.70000
   59    67    69    37.50000  110.70000
   59    67    74    58.35000  112.70000
   61    59    60    33.00000  107.80000
   67    59    60    37.50000  110.70000
   67    59    61    37.50000  110.70000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    77    58.35000  112.70000
   69    67    68    33.00000  107.80000
   74    67    68    37.50000  110.70000
   74    67    69    37.50000  110.70000
   74    77    78    58.35000  112.70000
   74    77    82    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    55    56    37.50000  110.70000
   77    55    57    58.35000  112.70000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    78    79    37.50000  110.70000
   77    78    80    37.50000  110.70000
   77    78    81    37.50000  110.70000
   77    82    83    37.50000  110.70000
   77    82    84    37.50000  110.70000
   77    82    85    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    77    78    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   62    57    58    70.00000  112.02700
   62    57    59    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    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  -0.62250  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    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    58   0.42700  1.0 1.0
   29    33    38    58  -0.70350 -1.0 2.0
   29    33    38    58  -0.43150  1.0 3.0
   29    33    39    70   0.56750  1.0 1.0
   29    33    39    70  -0.07550 -1.0 2.0
   29    33    39    70   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    45   7.00000 -1.0 2.0
   33    38    58    57   0.35650  1.0 1.0
   33    38    58    57   0.31450 -1.0 2.0
   33    38    58    66  -0.18600  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    47   0.56750  1.0 1.0
   33    39    43    47  -0.07550 -1.0 2.0
   33    39    43    47   0.20000  1.0 3.0
   33    39    43    51   0.56750  1.0 1.0
   33    39    43    51  -0.07550 -1.0 2.0
   33    39    43    51   0.20000  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    58   0.00000  1.0 1.0
   34    33    39    70  -0.11250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   38    33    39    70  -0.98800  1.0 1.0
   38    33    39    70   0.48800 -1.0 2.0
   38    33    39    70   0.76800  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43   0.34400  1.0 1.0
   38    33    39    43   0.09450 -1.0 2.0
   38    33    39    43   0.11100  1.0 3.0
   38    41    45    46   1.00000 -1.0 2.0
   38    41    45    55  -0.33500  1.0 1.0
   38    41    45    55   1.06600 -1.0 2.0
   38    41    45    55  -0.14000  1.0 3.0
   38    58   -66    70   7.00000 -1.0 2.0
   38    58    66    72   7.00000 -1.0 2.0
   41    38    58    57  -0.18600  1.0 3.0
   41    38    58    66   0.28850  1.0 1.0
   41    38    58    66   2.61350 -1.0 2.0
   41    38    58    66   0.78400  1.0 3.0
   41    45    55    56   0.00000  1.0 1.0
   41    45   -55    57   0.65300  1.0 1.0
   41    45   -55    57  -0.03850 -1.0 2.0
   41    45   -55    57   0.33900  1.0 3.0
   41    45    55    77   0.65300  1.0 1.0
   41    45    55    77  -0.03850 -1.0 2.0
   41    45    55    77   0.33900  1.0 3.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    55   0.04550  1.0 1.0
   42    41    45    55   0.83000 -1.0 2.0
   42    41    45    55  -0.04000  1.0 3.0
   45    55    57    58  -0.98800  1.0 1.0
   45    55    57    58   0.48800 -1.0 2.0
   45    55    57    58   0.76800  1.0 3.0
   45    55    57    59  -0.95700  1.0 1.0
   45    55    57    59  -0.18200 -1.0 2.0
   45    55    57    59   0.29450  1.0 3.0
   45    55    57    62  -0.95700  1.0 1.0
   45    55    57    62  -0.18200 -1.0 2.0
   45    55    57    62   0.29450  1.0 3.0
   45    55    77    74  -0.95700  1.0 1.0
   45    55    77    74  -0.18200 -1.0 2.0
   45    55    77    74   0.29450  1.0 3.0
   45    55    77    78  -0.95700  1.0 1.0
   45    55    77    78  -0.18200 -1.0 2.0
   45    55    77    78   0.29450  1.0 3.0
   45    55    77    82  -0.95700  1.0 1.0
   45    55    77    82  -0.18200 -1.0 2.0
   45    55    77    82   0.29450  1.0 3.0
   46    45    55    56   0.00000  1.0 1.0
   46    45    55    57   0.30150 -1.0 2.0
   46    45    55    77   0.30150 -1.0 2.0
   55    57   -58    38   0.98200  1.0 1.0
   55    57   -58    38  -0.11900 -1.0 2.0
   55    57   -58    38   0.24250  1.0 3.0
   55    57    58    66   0.09850  1.0 1.0
   55    57    58    66   0.15250 -1.0 2.0
   55    57    58    66  -0.50650  1.0 3.0
   55    57    59    60   0.15000  1.0 3.0
   55    57    59    61   0.15000  1.0 3.0
   55    57    59    67   0.56750  1.0 1.0
   55    57    59    67  -0.07550 -1.0 2.0
   55    57    59    67   0.20000  1.0 3.0
   55    57    62    63   0.15000  1.0 3.0
   55    57    62    64   0.15000  1.0 3.0
   55    57    62    65   0.15000  1.0 3.0
   55    77    78    79   0.15000  1.0 3.0
   55    77    78    80   0.15000  1.0 3.0
   55    77    78    81   0.15000  1.0 3.0
   55    77    82    83   0.15000  1.0 3.0
   55    77    82    84   0.15000  1.0 3.0
   55    77    82    85   0.15000  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55    57    62   0.15000  1.0 3.0
   56    55    77    74   0.15000  1.0 3.0
   56    55    77    78   0.15000  1.0 3.0
   56    55    77    82   0.15000  1.0 3.0
   57    55    77    74   0.56750  1.0 1.0
   57    55    77    74  -0.07550 -1.0 2.0
   57    55    77    74   0.20000  1.0 3.0
   57    55    77    78   0.56750  1.0 1.0
   57    55    77    78  -0.07550 -1.0 2.0
   57    55    77    78   0.20000  1.0 3.0
   57    55    77    82   0.56750  1.0 1.0
   57    55    77    82  -0.07550 -1.0 2.0
   57    55    77    82   0.20000  1.0 3.0
   57    58    66    70   7.00000 -1.0 2.0
   57    58    66    72   7.00000 -1.0 2.0
   57    59    67    68   0.15000  1.0 3.0
   57    59    67    69   0.15000  1.0 3.0
   57    59   -67    74   0.56750  1.0 1.0
   57    59   -67    74  -0.07550 -1.0 2.0
   57    59   -67    74   0.20000  1.0 3.0
   58    38    41    42   7.00000 -1.0 2.0
   58    38   -41    45   7.00000 -1.0 2.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    61   0.15000  1.0 3.0
   58    57    59    67   0.34400  1.0 1.0
   58    57    59    67   0.09450 -1.0 2.0
   58    57    59    67   0.11100  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    65   0.15000  1.0 3.0
   58    66    70    71   1.00000 -1.0 2.0
   58    66    70    39  -0.33500  1.0 1.0
   58    66    70    39   1.06600 -1.0 2.0
   58    66    70    39  -0.14000  1.0 3.0
   58    66    72    73  -0.66100  1.0 1.0
   58    66    72    73   1.20850 -1.0 2.0
   58    66    72    73  -0.36000  1.0 3.0
   66    70   -39    33   0.65300  1.0 1.0
   66    70   -39    33  -0.03850 -1.0 2.0
   66    70   -39    33   0.33900  1.0 3.0
   66    70    39    40   0.00000  1.0 1.0
   66    70    39    43   0.65300  1.0 1.0
   66    70    39    43  -0.03850 -1.0 2.0
   66    70    39    43   0.33900  1.0 3.0
   70    66    72    73   2.00000 -1.0 2.0
   70    39    43    44  -0.11250  1.0 3.0
   70    39    43    47  -0.95700  1.0 1.0
   70    39    43    47  -0.18200 -1.0 2.0
   70    39    43    47   0.29450  1.0 3.0
   70    39    43    51  -0.95700  1.0 1.0
   70    39    43    51  -0.18200 -1.0 2.0
   70    39    43    51   0.29450  1.0 3.0
   71    70    39    33   0.30150 -1.0 2.0
   71    70    39    40   0.00000  1.0 1.0
   71    70    39    43   0.30150 -1.0 2.0
   39    33    38    41   0.09850  1.0 1.0
   39    33    38    41   0.15250 -1.0 2.0
   39    33    38    41  -0.50650  1.0 3.0
   39    33   -38    58   0.98200  1.0 1.0
   39    33   -38    58  -0.11900 -1.0 2.0
   39    33   -38    58   0.24250  1.0 3.0
   39    43    47    48   0.15000  1.0 3.0
   39    43    47    49   0.15000  1.0 3.0
   39    43    47    50   0.15000  1.0 3.0
   39    43    51    52   0.15000  1.0 3.0
   39    43    51    53   0.15000  1.0 3.0
   39    43    51    54   0.15000  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    47   0.15000  1.0 3.0
   40    39    43    51   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    50   0.15000  1.0 3.0
   44    43    51    52   0.15000  1.0 3.0
   44    43    51    53   0.15000  1.0 3.0
   44    43    51    54   0.15000  1.0 3.0
   47    43    51    52   0.15000  1.0 3.0
   47    43    51    53   0.15000  1.0 3.0
   47    43    51    54   0.15000  1.0 3.0
   51    43    47    48   0.15000  1.0 3.0
   51    43    47    49   0.15000  1.0 3.0
   51    43    47    50   0.15000  1.0 3.0
   72    66    70    71  -0.11900  1.0 1.0
   72    66    70    71   0.76850 -1.0 2.0
   72    66    70    71   0.14100  1.0 3.0
   72    66    70    39   0.32450 -1.0 2.0
   72    66    70    39   0.17400  1.0 3.0
   59    57    58    38   0.98200  1.0 1.0
   59    57    58    38  -0.11900 -1.0 2.0
   59    57    58    38   0.24250  1.0 3.0
   59    57    58    66   0.09850  1.0 1.0
   59    57    58    66   0.15250 -1.0 2.0
   59    57    58    66  -0.50650  1.0 3.0
   59    57    62    63   0.15000  1.0 3.0
   59    57    62    64   0.15000  1.0 3.0
   59    57    62    65   0.15000  1.0 3.0
   59    67    74    75   0.15000  1.0 3.0
   59    67    74    76   0.15000  1.0 3.0
   59    67    74    77   0.56750  1.0 1.0
   59    67    74    77  -0.07550 -1.0 2.0
   59    67    74    77   0.20000  1.0 3.0
   60    59    67    68   0.15000  1.0 3.0
   60    59    67    69   0.15000  1.0 3.0
   60    59    67    74   0.15000  1.0 3.0
   61    59    67    68   0.15000  1.0 3.0
   61    59    67    69   0.15000  1.0 3.0
   61    59    67    74   0.15000  1.0 3.0
   67    74   -77    55   0.56750  1.0 1.0
   67    74   -77    55  -0.07550 -1.0 2.0
   67    74   -77    55   0.20000  1.0 3.0
   67    74    77    78   0.56750  1.0 1.0
   67    74    77    78  -0.07550 -1.0 2.0
   67    74    77    78   0.20000  1.0 3.0
   67    74    77    82   0.56750  1.0 1.0
   67    74    77    82  -0.07550 -1.0 2.0
   67    74    77    82   0.20000  1.0 3.0
   68    67    74    75   0.15000  1.0 3.0
   68    67    74    76   0.15000  1.0 3.0
   68    67    74    77   0.15000  1.0 3.0
   69    67    74    75   0.15000  1.0 3.0
   69    67    74    76   0.15000  1.0 3.0
   69    67    74    77   0.15000  1.0 3.0
   74    77    78    79   0.15000  1.0 3.0
   74    77    78    80   0.15000  1.0 3.0
   74    77    78    81   0.15000  1.0 3.0
   74    77    82    83   0.15000  1.0 3.0
   74    77    82    84   0.15000  1.0 3.0
   74    77    82    85   0.15000  1.0 3.0
   75    74    77    55   0.15000  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    82   0.15000  1.0 3.0
   76    74    77    55   0.15000  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   76    74    77    82   0.15000  1.0 3.0
   77    55    57    58   0.34400  1.0 1.0
   77    55    57    58   0.09450 -1.0 2.0
   77    55    57    58   0.11100  1.0 3.0
   77    55   -57    59   0.56750  1.0 1.0
   77    55   -57    59  -0.07550 -1.0 2.0
   77    55   -57    59   0.20000  1.0 3.0
   77    55    57    62   0.56750  1.0 1.0
   77    55    57    62  -0.07550 -1.0 2.0
   77    55    57    62   0.20000  1.0 3.0
   78    77    82    83   0.15000  1.0 3.0
   78    77    82    84   0.15000  1.0 3.0
   78    77    82    85   0.15000  1.0 3.0
   82    77    78    79   0.15000  1.0 3.0
   82    77    78    80   0.15000  1.0 3.0
   82    77    78    81   0.15000  1.0 3.0
   62    57    58    38   0.98200  1.0 1.0
   62    57    58    38  -0.11900 -1.0 2.0
   62    57    58    38   0.24250  1.0 3.0
   62    57    58    66   0.09850  1.0 1.0
   62    57    58    66   0.15250 -1.0 2.0
   62    57    58    66  -0.50650  1.0 3.0
   62    57    59    60   0.15000  1.0 3.0
   62    57    59    61   0.15000  1.0 3.0
   62    57    59    67   0.56750  1.0 1.0
   62    57    59    67  -0.07550 -1.0 2.0
   62    57    59    67   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
   36    30    35    37  10.50000 -1.0 2.0
   33    58    38    41   1.10000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   41    55    45    46  10.50000 -1.0 2.0
   38    57    58    66   1.10000 -1.0 2.0
   70    72    66    58   1.10000 -1.0 2.0
   66    39    70    71  10.50000 -1.0 2.0
END
