* LIGAND DATABASE FILE (OPLS2005)
*
001      92    94    167    248     478
    1     0 S   NP   _N1_     1    29.79332    92.66997   -26.22757
    2     1 S   H    _HN1     2     1.02805     7.29111   175.59104
    3     1 S   H    _H1_     3     1.02769   110.59925  -113.60817
    4     1 S   H    _H2_     4     1.02963    99.76931     0.37846
    5     1 S   CT   _CA1     5     1.50250   114.79762   118.11630
    6     5 S   HC   _HA1     6     1.09575   105.09979    65.97802
    7     5 S   CO3  _C1_     7     1.53863   112.50086   -53.80302
    8     7 S   O2Z  _O11     8     1.26383   115.04350   -34.67232
    9     7 S   O2Z  _O12     9     1.26259   114.99906   144.01897
   10     5 S   CT   _CB1    10     1.53018   107.17637  -176.22312
   11    10 S   HC   HB11    11     1.09823   109.21037   -48.84000
   12    10 S   HC   HB12    12     1.09784   110.24925    67.57015
   13    10 S   CT   _CG1    13     1.52976   113.00840  -170.03624
   14    13 S   HC   HG11    14     1.09581   110.31766   -65.44684
   15    13 S   HC   HG12    15     1.09635   110.17451    53.89997
   16    13 S   C    _CD1    16     1.51790   112.15248   173.98601
   17    16 S   O    _OE1    17     1.22745   123.37205    -8.48758
   18    16 S   N    _N2_    18     1.38715   111.85406   172.68954
   19    18 S   H    _HN2    19     1.01549   119.09712     4.38535
   20    18 S   CT1  _CA2    20     1.46030   123.08053  -175.78444
   21    20 S   HC   _HA2    21     1.09612   108.77024    14.03881
   22    20 S   C    _C2_    22     1.53694   110.67919  -101.77168
   23    22 S   O    _O2_    23     1.23172   121.72591  -154.60774
   24    20 S   CT   _CB2    32     1.53642   111.73407   135.47326
   25    24 S   HC   HB21    33     1.09699   109.15083    71.75395
   26    24 S   HC   HB22    34     1.09509   110.81504  -171.88013
   27    22 S   N    _N3_    24     1.38152   114.51493    32.55751
   28    27 S   H    _HN3    25     1.01532   119.73494    -3.14896
   29    24 S   S    _SG2    35     1.82940   115.66451   -47.06740
   30    27 S   CT   _CA3    26     1.45303   123.07884   177.04779
   31    30 S   HC   HA31    27     1.09556   107.48870   -64.17923
   32    30 S   HC   HA32    28     1.09561   107.97175    52.20688
   33    29 S   CT   _C26    36     1.84336   101.68960   -63.60297
   34    33 S   HC   _H5_    37     1.09235   106.87543    44.55680
   35    30 S   CO3  _C3_    29     1.52930   114.23176   174.19677
   36    35 S   O2Z  _O31    30     1.26350   116.12488    -1.77476
   37    35 S   O2Z  _O32    31     1.26442   114.38412   178.30916
   38    33 S   CM   _C24    38     1.53920   108.62167   162.87362
   39    33 S   CT   _C27    89     1.52843   111.12917   -71.83408
   40    39 S   HC   _H26    90     1.09535   112.58609   -52.92915
   41    39 S   HC   _H27    91     1.09601   110.57117  -173.59262
   42    39 S   HC   _H28    92     1.09521   111.09609    67.82896
   43    38 S   CMA  _C23    39     1.36865   121.98516  -111.40216
   44    43 S   OM   _O39    40     1.26752   125.51145    -5.02457
   45    38 S   CT   _C25    85     1.51990   115.55455    68.64125
   46    45 S   HC   _H23    86     1.09387   110.94769   -65.74640
   47    45 S   HC   _H24    87     1.09284   113.73261   173.60073
   48    45 S   HC   _H25    88     1.09406   110.63528    54.87557
   49    43 S   OS   _O38    41     1.41095   112.32404   177.43410
   50    49 S   CT   _C20    42     1.44710   119.12114  -119.33091
   51    50 S   CT   _C19    43     1.55893   106.55428   162.68043
   52    51 S   HC   _H4_    44     1.10230   108.17509  -176.50767
   53    50 S   CT   _C21    77     1.53817   111.14813   -79.30411
   54    53 S   HC   _H17    78     1.09434   111.81870    74.56201
   55    53 S   HC   _H18    79     1.09460   111.48200   -44.64499
   56    53 S   HC   _H19    80     1.09553   111.28101  -166.09579
   57    50 S   CT   _C22    81     1.54413   112.05824    44.58910
   58    57 S   HC   _H20    82     1.09513   111.80009   -69.13598
   59    57 S   HC   _H21    83     1.09543   111.41911    50.06338
   60    57 S   HC   _H22    84     1.09543   111.22296   171.13486
   61    51 S   CT   _C9_    45     1.55221   117.84587    61.22169
   62    61 S   HC   _H3_    46     1.09535   110.27520    90.35506
   63    61 S   CA   _C10    47     1.48515    98.46321  -150.75454
   64    61 S   OS   _O34    63     1.43248   113.08329   -37.49189
   65    63 S   CA   _C11    48     1.38523   109.51718    17.19871
   66    64 S   CO4  _C8_    64     1.35831   117.27028   143.38380
   67    66 S   O    _O33    65     1.22144   127.05859    -3.77201
   68    65 S   CA   _C12    49     1.38261   122.18625   176.33371
   69    68 S   HA   _H13    50     1.08446   121.13980  -179.41449
   70    51 S   OS   _O37    62     1.46094   109.91730   -62.44352
   71    66 S   CM   _C6_    66     1.48440   108.71630   175.88144
   72    68 S   CA   _C13    51     1.39872   118.08458     0.78534
   73    72 S   HA   _H14    52     1.08762   118.98641   179.77015
   74    71 S   CM   _C5_    67     1.34491   120.39459  -133.78446
   75    74 S   HC   _H9_    68     1.08919   117.76852  -177.82067
   76    71 S   CT   _C7_    73     1.49910   117.11217    48.40526
   77    76 S   HC   _H10    74     1.09440   110.55998   -72.84177
   78    76 S   HC   _H11    75     1.09479   110.42967    47.67790
   79    76 S   HC   _H12    76     1.09524   111.92928   167.17886
   80    72 S   CA   _C14    53     1.40637   120.52118    -0.49929
   81    74 S   CT   _C4_    69     1.49587   128.24850     3.95844
   82    81 S   HC   _H6_    70     1.09402   109.95233  -110.26092
   83    81 S   HC   _H7_    71     1.09500   109.36115   131.20406
   84    81 S   HC   _H8_    72     1.09200   113.54841    11.76697
   85    63 S   CA   _C15    54     1.38165   130.73187  -166.47229
   86    85 S   OS   _O35    55     1.40388   118.97553     3.30885
   87    86 S   CO4  _C16    56     1.39007   121.37627  -179.39059
   88    87 S   O    _O36    57     1.22607   122.07423   179.53648
   89    87 S   CM   _C17    58     1.47459   116.88374    -0.51813
   90    89 S   HC   _H15    59     1.08433   117.07462  -179.61590
   91    80 S   CM   _C18    60     1.45385   121.89248  -179.54889
   92    91 S   HC   _H16    61     1.08439   119.08967    -0.89700
  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
  13   7   2   1   1  12   5   2   1   1  10   3   4   2   1   1
  13  16  18   8   9   3   2   1   5   2   1   1  12   6  12   8
   8   9   3   7   4   2  10   7   3   9   5   4   2   1   1   7
   3   2   1   1   6   5   5   3   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    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    53    57    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    61    70    53    54    55    56    57    58    59    60  
   51    52    61    62    63    65    70    64    53    54    55    56    57    58    59    60  
   52    61    62    63    65    68    85    70    64    66    53    54    55    56    57    58    59    60  
   61    62    63    65    70    64    53    57  
   54    55    56    57    58    59    60    61    70  
   55    56    57  
   56    57  
   57  
   58    59    60    61    70  
   59    60  
   60  
    0  
   62    63    65    68    80    85    86    70    64    66    67    71  
   63    65    85    70    64    66  
   65    68    69    72    80    85    86    87    91    70    64    66  
   66    67    71    74    76    65    70    85  
   68    69    72    73    80    85    86    70  
   67    71    74    75    81    76    77    78    79  
   71    74    76  
   69    72    73    80    85    91    70  
   72    73    80    70  
   72    85  
   74    75    81    82    83    84    76    77    78    79  
   73    80    85    86    89    91    92  
   80    85    91  
   75    81    82    83    84    76    77    78    79  
   81    82    83    84    76  
   77    78    79    81  
   78    79  
   79  
    0  
   85    86    87    89    90    91    92  
   82    83    84  
   83    84  
   84  
    0  
   86    87    88    89    91    92  
   87    88    89    90    91  
   88    89    90    91    92  
   89    90    91  
   90    91    92  
   91    92  
   92  
    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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   86   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   87   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   89   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   90   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   92   2.4200   0.0300   0.115000   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    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   268.000  1.529
   50    53   268.000  1.529
   50    57   268.000  1.529
   51    52   340.000  1.090
   51    61   268.000  1.529
   51    70   320.000  1.410
   61    62   340.000  1.090
   61    63   317.000  1.510
   61    64   320.000  1.410
   63    65   469.000  1.400
   63    85   469.000  1.400
   65    68   469.000  1.400
   65    70   450.000  1.364
   68    69   367.000  1.080
   68    72   469.000  1.400
   72    73   367.000  1.080
   72    80   469.000  1.400
   80    85   469.000  1.400
   80    91   320.000  1.460
   85    86   450.000  1.364
   86    87   214.000  1.327
   87    88   570.000  1.229
   87    89   320.000  1.462
   89    90   340.000  1.080
   89    91   549.000  1.340
   91    92   340.000  1.080
   64    66   214.000  1.327
   66    67   570.000  1.229
   66    71   320.000  1.462
   71    74   549.000  1.340
   71    76   317.000  1.510
   74    75   340.000  1.080
   74    81   317.000  1.510
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   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    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    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    50.00000  109.50000
   49    50    53    50.00000  109.50000
   49    50    57    50.00000  109.50000
   50    51    52    37.50000  110.70000
   50    51    61    58.35000  112.70000
   50    51    70    50.00000  109.50000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    60    37.50000  110.70000
   51    61    62    37.50000  110.70000
   51    61    63    70.00000  112.17500
   51    61    64    50.00000  109.50000
   51    70    65    75.00000  111.00000
   61    51    52    37.50000  110.70000
   61    63    65    70.00000  120.00000
   61    63    85    70.00000  120.00000
   61    64    66    83.00000  116.90000
   63    61    62    35.00000  109.50000
   63    65    68    63.00000  120.00000
   63    65    70    70.00000  120.00000
   63    85    80    63.00000  120.00000
   63    85    86    70.00000  120.00000
   65    68    69    35.00000  120.00000
   65    68    72    63.00000  120.00000
   68    72    73    35.00000  120.00000
   68    72    80    63.00000  120.00000
   72    68    69    35.00000  120.00000
   72    80    85    63.00000  120.00000
   72    80    91    60.00000  120.93500
   80    72    73    35.00000  120.00000
   80    85    86    70.00000  120.00000
   80    91    89    60.00000  123.20500
   80    91    92    40.00000  117.26300
   85    63    65    63.00000  120.00000
   85    86    87    85.00000  115.98000
   86    87    88    83.00000  123.40000
   86    87    89    90.00000  111.29400
   87    89    90    40.00000  117.72500
   87    89    91    65.00000  118.96000
   89    87    88    80.00000  123.72100
   89    91    92    35.00000  120.00000
   91    80    85    60.00000  120.93500
   91    89    90    35.00000  120.00000
   70    51    52    35.00000  109.50000
   70    51    61    50.00000  109.50000
   70    65    68    70.00000  120.00000
   64    61    62    35.00000  109.50000
   64    61    63    85.00000  111.85700
   64    66    67    83.00000  123.40000
   64    66    71    90.00000  111.29400
   66    71    74    65.00000  118.96000
   66    71    76    65.00000  116.34900
   71    66    67    80.00000  123.72100
   71    74    75    35.00000  120.00000
   71    74    81    70.00000  124.00000
   71    76    77    35.00000  109.50000
   71    76    78    35.00000  109.50000
   71    76    79    35.00000  109.50000
   74    81    82    35.00000  109.50000
   74    81    83    35.00000  109.50000
   74    81    84    35.00000  109.50000
   81    74    75    35.00000  117.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   76    71    74    70.00000  124.00000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   53    50    51    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
   57    50    51    58.35000  112.70000
   57    50    53    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   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    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    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  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    38    43    44   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  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    33    39    42   0.15000  1.0 3.0
   38    43    49    50  -2.26850  1.0 1.0
   38    43    49    50   3.39050 -1.0 2.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    48   0.00000  1.0 1.0
   43    49    50    51  -0.46850  1.0 1.0
   43    49    50    51   0.09300 -1.0 2.0
   43    49    50    51  -0.12850  1.0 3.0
   43    49    50    53  -0.46850  1.0 1.0
   43    49    50    53   0.09300 -1.0 2.0
   43    49    50    53  -0.12850  1.0 3.0
   43    49    50    57  -0.46850  1.0 1.0
   43    49    50    57   0.09300 -1.0 2.0
   43    49    50    57  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    51    52   0.23400  1.0 3.0
   49    50    51    61   0.62750  1.0 1.0
   49    50    51    61  -0.30950 -1.0 2.0
   49    50    51    61   0.27300  1.0 3.0
   49    50    51    70   1.11900  1.0 1.0
   49    50    51    70  -1.16350 -1.0 2.0
   49    50    51    70  -0.34150  1.0 3.0
   49    50    53    54   0.23400  1.0 3.0
   49    50    53    55   0.23400  1.0 3.0
   49    50    53    56   0.23400  1.0 3.0
   49    50    57    58   0.23400  1.0 3.0
   49    50    57    59   0.23400  1.0 3.0
   49    50    57    60   0.23400  1.0 3.0
   50    51    61    62   0.15000  1.0 3.0
   50    51    61    63  -0.03700  1.0 1.0
   50    51    61    63   0.37200 -1.0 2.0
   50    51    61    63  -0.47300  1.0 3.0
   50    51    61    64   0.62750  1.0 1.0
   50    51    61    64  -0.30950 -1.0 2.0
   50    51    61    64   0.27300  1.0 3.0
   50    51    70    65  -0.32850  1.0 1.0
   50    51    70    65  -0.35800 -1.0 2.0
   50    51    70    65   0.33950  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    60   0.15000  1.0 3.0
   51    61   -63    65   0.04150 -1.0 2.0
   51    61    63    85   0.04150 -1.0 2.0
   51    61    64    66  -0.25900  1.0 1.0
   51    61    64    66  -0.47000 -1.0 2.0
   51    61    64    66   0.11750  1.0 3.0
   52    51    61    62   0.15000  1.0 3.0
   52    51    61    63   0.43200  1.0 3.0
   52    51    61    64   0.23400  1.0 3.0
   52    51    70    65   0.08050  1.0 3.0
   61    51   -70    65  -0.32850  1.0 1.0
   61    51   -70    65  -0.35800 -1.0 2.0
   61    51   -70    65   0.33950  1.0 3.0
   61    63    65    68   3.62500 -1.0 2.0
   61    63   -65    70   3.62500 -1.0 2.0
   61    63    85    80   3.62500 -1.0 2.0
   61    63    85    86   3.62500 -1.0 2.0
   61    64    66    67   3.00000 -1.0 2.0
   61    64    66    71   2.00000 -1.0 2.0
   62    61    63    65   0.00000  1.0 1.0
   62    61    63    85   0.00000  1.0 1.0
   62    61    64    66   0.08050  1.0 3.0
   63    61    64    66  -0.43900 -1.0 2.0
   63    61    64    66   0.14100  1.0 3.0
   63    65    68    69   3.62500 -1.0 2.0
   63    65    68    72   3.62500 -1.0 2.0
   63    65   -70    51   1.63200 -1.0 2.0
   63    85    86    87   0.01300  1.0 1.0
   63    85    86    87   0.97950 -1.0 2.0
   63    85    86    87  -0.55700  1.0 3.0
   65    63    85    80   3.62500 -1.0 2.0
   65    63    85    86   3.62500 -1.0 2.0
   65    68    72    73   3.62500 -1.0 2.0
   65    68   -72    80   3.62500 -1.0 2.0
   68    65    70    51   1.63200 -1.0 2.0
   68    72    80    85   3.62500 -1.0 2.0
   68    72    80    91   3.62500 -1.0 2.0
   69    68    72    73   3.62500 -1.0 2.0
   69    68    72    80   3.62500 -1.0 2.0
   72    80   -85    63   3.62500 -1.0 2.0
   72    80    85    86   3.62500 -1.0 2.0
   72    80    91    89   0.15800  1.0 1.0
   72    80    91    89   1.85350 -1.0 2.0
   72    80    91    89  -0.48700  1.0 3.0
   72    80    91    92   0.56550  1.0 3.0
   73    72    80    85   3.62500 -1.0 2.0
   73    72    80    91   3.62500 -1.0 2.0
   80    85    86    87   0.01300  1.0 1.0
   80    85    86    87   0.97950 -1.0 2.0
   80    85    86    87  -0.55700  1.0 3.0
   85    63   -65    68   3.62500 -1.0 2.0
   85    63    65    70   3.62500 -1.0 2.0
   85    80    91    89   0.15800  1.0 1.0
   85    80    91    89   1.85350 -1.0 2.0
   85    80    91    89  -0.48700  1.0 3.0
   85    80    91    92   0.56550  1.0 3.0
   85    86    87    88   3.00000 -1.0 2.0
   85    86   -87    89   2.00000 -1.0 2.0
   86    87    89    90   1.63100 -1.0 2.0
   86    87    89    91  -0.56150  1.0 1.0
   86    87    89    91   2.19150 -1.0 2.0
   87    89   -91    80   7.00000 -1.0 2.0
   87    89    91    92   7.00000 -1.0 2.0
   88    87    89    90   0.00000  1.0 1.0
   88    87    89    91   1.00000 -1.0 2.0
   90    89    91    80   7.00000 -1.0 2.0
   90    89    91    92   7.00000 -1.0 2.0
   91    80    85    63   3.62500 -1.0 2.0
   91    80   -85    86   3.62500 -1.0 2.0
   70    51    61    62   0.23400  1.0 3.0
   70    51   -61    63  -0.64350  1.0 1.0
   70    51   -61    63  -0.04200 -1.0 2.0
   70    51   -61    63   0.19800  1.0 3.0
   70    51    61    64   1.11900  1.0 1.0
   70    51    61    64  -1.16350 -1.0 2.0
   70    51    61    64  -0.34150  1.0 3.0
   70    65    68    69   3.62500 -1.0 2.0
   70    65    68    72   3.62500 -1.0 2.0
   64    61    63    65   0.64500  1.0 1.0
   64    61    63    65   0.14800 -1.0 2.0
   64    61    63    65   0.20650  1.0 3.0
   64    61    63    85   0.64500  1.0 1.0
   64    61    63    85   0.14800 -1.0 2.0
   64    61    63    85   0.20650  1.0 3.0
   64    66    71    74  -0.56150  1.0 1.0
   64    66    71    74   2.19150 -1.0 2.0
   64    66    71    76  -0.15000  1.0 1.0
   64    66    71    76   0.89550 -1.0 2.0
   64    66    71    76  -0.06900  1.0 3.0
   66    71    74    75   7.00000 -1.0 2.0
   66    71    74    81   7.00000 -1.0 2.0
   66    71    76    77   0.15000  1.0 3.0
   66    71    76    78   0.15000  1.0 3.0
   66    71    76    79   0.15000  1.0 3.0
   67    66    71    74   1.00000 -1.0 2.0
   67    66    71    76  -0.64400  1.0 1.0
   67    66    71    76   0.26850 -1.0 2.0
   71    74    81    82   0.00000  1.0 1.0
   71    74    81    83   0.00000  1.0 1.0
   71    74    81    84   0.00000  1.0 1.0
   74    71    76    77   0.00000  1.0 1.0
   74    71    76    78   0.00000  1.0 1.0
   74    71    76    79   0.00000  1.0 1.0
   75    74    81    82   0.33100  1.0 3.0
   75    74    81    83   0.33100  1.0 3.0
   75    74    81    84   0.33100  1.0 3.0
   76    71    74    75   7.00000 -1.0 2.0
   76    71    74    81   7.00000 -1.0 2.0
   53    50    51    52   0.15000  1.0 3.0
   53    50    51    61   0.56750  1.0 1.0
   53    50    51    61  -0.07550 -1.0 2.0
   53    50    51    61   0.20000  1.0 3.0
   53    50    51    70   0.62750  1.0 1.0
   53    50    51    70  -0.30950 -1.0 2.0
   53    50    51    70   0.27300  1.0 3.0
   53    50    57    58   0.15000  1.0 3.0
   53    50    57    59   0.15000  1.0 3.0
   53    50    57    60   0.15000  1.0 3.0
   57    50    51    52   0.15000  1.0 3.0
   57    50    51    61   0.56750  1.0 1.0
   57    50    51    61  -0.07550 -1.0 2.0
   57    50    51    61   0.20000  1.0 3.0
   57    50    51    70   0.62750  1.0 1.0
   57    50    51    70  -0.30950 -1.0 2.0
   57    50    51    70   0.27300  1.0 3.0
   57    50    53    54   0.15000  1.0 3.0
   57    50    53    55   0.15000  1.0 3.0
   57    50    53    56   0.15000  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  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    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   65    85    63    61   4.00000 -1.0 2.0
   68    70    65    63   4.00000 -1.0 2.0
   72    69    68    65   1.10000 -1.0 2.0
   80    73    72    68   1.10000 -1.0 2.0
   85    91    80    72   4.00000 -1.0 2.0
   80    86    85    63   4.00000 -1.0 2.0
   86    89    87    88  10.50000 -1.0 2.0
   87    90    89    91   1.10000 -1.0 2.0
   80    92    91    89   1.10000 -1.0 2.0
   64    71    66    67  10.50000 -1.0 2.0
   66    76    71    74  15.00000 -1.0 2.0
   81    75    74    71  15.00000 -1.0 2.0
END
