* LIGAND DATABASE FILE (OPLS2005)
*
001      91    91    168    258     501
    1     0 S   NP   _N1_     1    28.98685    95.47363   -19.19570
    2     1 S   H    _HN1     2     1.02765    78.84565   -49.74838
    3     1 S   H    _H1_     3     1.02988    99.53745    57.24031
    4     1 S   H    _H2_     4     1.02818    34.73364   163.30003
    5     1 S   CT   _CA1     5     1.50212   141.63182  -161.76444
    6     5 S   HC   _HA1     6     1.09589   105.14120    38.58535
    7     5 S   CO3  _C1_     7     1.53755   112.53681   -81.13296
    8     7 S   O2Z  _O11     8     1.26325   115.00998   -37.16264
    9     7 S   O2Z  _O12     9     1.26260   114.94908   141.80577
   10     5 S   CT   _CB1    10     1.53078   107.25089   156.18311
   11    10 S   HC   HB11    11     1.09797   108.87340   -52.49250
   12    10 S   HC   HB12    12     1.09826   110.43121    63.76498
   13    10 S   CT   _CG1    13     1.53018   113.02179  -174.05495
   14    13 S   HC   HG11    14     1.09523   109.90834   -67.00110
   15    13 S   HC   HG12    15     1.09623   110.39335    51.99468
   16    13 S   C    _CD1    16     1.51875   112.06115   171.54785
   17    16 S   O    _OE1    17     1.22780   122.89263   -23.64657
   18    16 S   N    _N2_    18     1.38556   112.11599   158.15907
   19    18 S   H    _HN2    19     1.01579   119.07815    -0.35553
   20    18 S   CT1  _CA2    20     1.46347   123.42079  -179.24515
   21    20 S   HC   _HA2    21     1.09735   109.25348   -18.92645
   22    20 S   C    _C2_    22     1.53427   108.11347  -134.54929
   23    22 S   O    _O2_    23     1.23001   122.35421  -146.00024
   24    20 S   CT   _CB2    32     1.53480   111.48394   103.34574
   25    24 S   HC   HB21    33     1.09575   109.48216    54.13796
   26    24 S   HC   HB22    34     1.09497   110.80111   172.67199
   27    22 S   N    _N3_    24     1.38548   113.27803    41.37161
   28    27 S   H    _HN3    25     1.01539   118.86633    -0.52897
   29    24 S   S    _SG2    35     1.82790   111.66396   -67.98426
   30    27 S   CT   _CA3    26     1.45447   123.47028   175.21791
   31    30 S   HC   HA31    27     1.09523   109.23075    24.15053
   32    30 S   HC   HA32    28     1.09495   107.10801   141.15280
   33    29 S   CT   _C11    36     1.84437    99.81394   143.92353
   34    33 S   HC   _H3_    37     1.09444   107.04579   -44.21301
   35    30 S   CO3  _C3_    29     1.52930   113.17953   -99.33074
   36    35 S   O2Z  _O31    30     1.26399   115.44547   -43.27848
   37    35 S   O2Z  _O32    31     1.26361   114.95638   137.68550
   38    33 S   CM   _C10    38     1.51389   107.16666  -160.60309
   39    38 S   HC   _H19    39     1.09040   115.46606   -90.16029
   40    33 S   CT   _C12    58     1.55230   111.49161    72.81442
   41    40 S   HC   _H4_    59     1.10069   106.67418   -61.84484
   42    38 S   CMA  _C9_    40     1.35525   128.08230    91.21412
   43    42 S   OM   _O37    41     1.26296   128.54325   178.90908
   44    40 S   CT   _C16    60     1.55091   114.44025   179.44047
   45    44 S   HC   _H7_    61     1.09821   109.68053   -48.12951
   46    42 S   CT   _C8_    42     1.53247   120.24322    -3.93094
   47    46 S   HC   _H17    43     1.10101   110.94547  -143.12909
   48    46 S   HC   _H18    44     1.09462   109.91117   -29.20256
   49    44 S   CT   _C15    62     1.53426   102.43433  -162.38086
   50    49 S   HC   _H6_    63     1.09452   112.44505   163.79072
   51    44 S   CT   _C17    73     1.53502   112.60881    73.45457
   52    51 S   HC   _H22    74     1.09759   110.32252    50.22739
   53    51 S   HC   _H23    75     1.09498   110.03813   -65.18796
   54    46 S   CT   _C7_    45     1.53640   112.84361    94.17165
   55    54 S   HC   _H15    46     1.09446   110.51221   -48.62286
   56    54 S   HC   _H16    47     1.09738   108.92481    68.17007
   57    49 S   CT   _C14    64     1.52528   103.04516    43.24274
   58    57 S   HC   _H20    65     1.09664   108.82337    81.49392
   59    57 S   HC   _H21    66     1.09453   112.40584  -157.81851
   60    49 S   OH   _O35    71     1.42249   110.99560   -74.47317
   61    60 S   HO   _H32    72     0.97224   107.48272   175.34432
   62    51 S   CM   _C18    76     1.50205   113.58531   171.41098
   63    62 S   HC   _H24    77     1.08871   115.43044   -97.52983
   64    54 S   CT   _C6_    48     1.53132   113.03447  -171.30019
   65    64 S   HC   _H13    49     1.09572   109.92908   -49.36758
   66    64 S   HC   _H14    50     1.09715   108.26197  -165.68980
   67    40 S   CT   _C13    67     1.54794   115.92404    58.13415
   68    67 S   HC   _H5_    68     1.09394   113.44577    18.60526
   69    62 S   CM   _C19    78     1.34148   127.14868    83.18069
   70    69 S   HC   _H25    79     1.08886   117.26028   178.68210
   71    64 S   CT   _C5_    51     1.53044   112.77929    74.05598
   72    71 S   HC   _H11    52     1.09386   110.70618   -60.27521
   73    71 S   HC   _H12    53     1.09632   109.74570    57.66722
   74    67 S   OH   _O36    69     1.42515   109.18412  -101.26991
   75    74 S   HO   _H33    70     0.97228   107.41196   179.51949
   76    69 S   CT   _C20    80     1.50160   127.11182    -2.08460
   77    76 S   HC   _H26    81     1.09362   111.64436     0.40154
   78    76 S   HC   _H27    82     1.09642   108.35972   117.97450
   79    71 S   CT   _C4_    54     1.52039   111.45577   178.65623
   80    79 S   HC   _H8_    55     1.09460   111.03738   -60.04653
   81    79 S   HC   _H9_    56     1.09452   110.22743  -179.80119
   82    79 S   HC   _H10    57     1.09440   110.98248    60.53135
   83    76 S   CT   _C21    83     1.53086   110.79648  -121.49005
   84    83 S   HC   _H28    84     1.09781   109.57109    60.41142
   85    83 S   HC   _H29    85     1.09777   109.79946   -56.48153
   86    83 S   CT   _C22    86     1.52574   111.57346  -177.97107
   87    86 S   HC   _H30    87     1.09719   109.39683    55.98636
   88    86 S   HC   _H31    88     1.09683   109.61273   -61.44062
   89    86 S   CO3  _C23    89     1.53260   114.82833   177.25455
   90    89 S   O2Z  _O34    90     1.26521   114.15418  -170.83252
   91    89 S   O2Z  _O33    91     1.26179   116.64888     9.08934
  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  11   4  18   8   8   4  17   9   9   5   4
  13   7  10   4   3   9   5   4   8   5   4   2   1   7   3   9
   5   4   3   2   8   4   6   5   4   1   1   9   5   4   3   2
   1   1   8   5   4   5   4   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44    67  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    40    41    44    45    49    57    67    68    74    51  
   38    39    42    40    41    44    67  
   36    37  
   37  
    0  
   39    42    43    46    47    48    54    40    41    44    67  
   42    43    46    40  
   41    44    45    49    50    57    58    59    67    68    74    75    60    51    52    53    62    42  
   44    45    49    57    67    68    74    51  
   43    46    47    48    54    55    56    64  
   46    47    48    54  
   45    49    50    57    58    59    67    68    74    60    61    51    52    53    62    63    69  
   49    50    57    67    60    51    52    53    62  
   47    48    54    55    56    64    65    66    71  
   48    54    55    56    64  
   54    55    56    64  
   50    57    58    59    67    68    74    60    61    51    52    53    62  
   57    58    59    67    60    61    51  
   52    53    62    63    69    70    76    57    60    67  
   53    62    63    69  
   62    63    69  
   55    56    64    65    66    71    72    73    79  
   56    64    65    66    71  
   64    65    66    71  
   58    59    67    68    74    75    60    61  
   59    67    68    74    60  
   67    68    74    60  
   61    67  
    0  
   63    69    70    76    77    78    83  
   69    70    76  
   65    66    71    72    73    79    80    81    82  
   66    71    72    73    79  
   71    72    73    79  
   68    74    75  
   74    75  
   70    76    77    78    83    84    85    86  
   76    77    78    83  
   72    73    79    80    81    82  
   73    79    80    81    82  
   79    80    81    82  
   75  
    0  
   77    78    83    84    85    86    87    88    89  
   78    83    84    85    86  
   83    84    85    86  
   80    81    82  
   81    82  
   82  
    0  
   84    85    86    87    88    89    90    91  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89    90    91  
   88    89    90    91  
   89    90    91  
   90    91  
   91  
    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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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
   86   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    40   268.000  1.529
   38    39   340.000  1.080
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    46   270.000  1.512
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    67   268.000  1.529
   44    45   340.000  1.090
   44    49   268.000  1.529
   44    51   268.000  1.529
   49    50   340.000  1.090
   49    57   268.000  1.529
   49    60   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    67   268.000  1.529
   67    68   340.000  1.090
   67    74   320.000  1.410
   74    75   553.000  0.945
   60    61   553.000  0.945
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    62   317.000  1.510
   62    63   340.000  1.080
   62    69   549.000  1.340
   69    70   340.000  1.080
   69    76   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   317.000  1.522
   89    90   656.000  1.250
   89    91   656.000  1.250
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    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   33    40    67    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    46    65.00000  122.18000
   42    38    39    40.00000  120.50800
   42    46    47    45.00000  110.52000
   42    46    48    45.00000  110.52000
   42    46    54    70.00000  112.02700
   46    42    43    85.00000  112.85300
   46    54    55    37.50000  110.70000
   46    54    56    37.50000  110.70000
   46    54    64    58.35000  112.70000
   48    46    47    33.00000  107.80000
   54    46    47    37.50000  110.70000
   54    46    48    37.50000  110.70000
   54    64    65    37.50000  110.70000
   54    64    66    37.50000  110.70000
   54    64    71    58.35000  112.70000
   56    54    55    33.00000  107.80000
   64    54    55    37.50000  110.70000
   64    54    56    37.50000  110.70000
   64    71    72    37.50000  110.70000
   64    71    73    37.50000  110.70000
   64    71    79    58.35000  112.70000
   66    64    65    33.00000  107.80000
   71    64    65    37.50000  110.70000
   71    64    66    37.50000  110.70000
   71    79    80    37.50000  110.70000
   71    79    81    37.50000  110.70000
   71    79    82    37.50000  110.70000
   73    71    72    33.00000  107.80000
   79    71    72    37.50000  110.70000
   79    71    73    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    44    45    37.50000  110.70000
   40    44    49    58.35000  112.70000
   40    44    51    58.35000  112.70000
   40    67    57    58.35000  112.70000
   40    67    68    37.50000  110.70000
   40    67    74    50.00000  109.50000
   44    40    41    37.50000  110.70000
   44    49    50    37.50000  110.70000
   44    49    57    58.35000  112.70000
   44    49    60    50.00000  109.50000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    62    70.00000  112.02700
   49    44    45    37.50000  110.70000
   49    57    58    37.50000  110.70000
   49    57    59    37.50000  110.70000
   49    57    67    58.35000  112.70000
   49    60    61    55.00000  108.50000
   57    49    50    37.50000  110.70000
   57    67    68    37.50000  110.70000
   57    67    74    50.00000  109.50000
   59    57    58    33.00000  107.80000
   67    40    41    37.50000  110.70000
   67    40    44    58.35000  112.70000
   67    57    58    37.50000  110.70000
   67    57    59    37.50000  110.70000
   67    74    75    55.00000  108.50000
   74    67    68    35.00000  109.50000
   60    49    50    35.00000  109.50000
   60    49    57    50.00000  109.50000
   51    44    45    37.50000  110.70000
   51    44    49    58.35000  112.70000
   51    62    63    35.00000  117.00000
   51    62    69    70.00000  124.00000
   53    51    52    33.00000  107.80000
   62    51    52    35.00000  109.50000
   62    51    53    35.00000  109.50000
   62    69    70    35.00000  120.00000
   62    69    76    70.00000  124.00000
   69    62    63    35.00000  120.00000
   69    76    77    35.00000  109.50000
   69    76    78    35.00000  109.50000
   69    76    83    70.00000  112.02700
   76    69    70    35.00000  117.00000
   76    83    84    37.50000  110.70000
   76    83    85    37.50000  110.70000
   76    83    86    58.35000  112.70000
   78    76    77    33.00000  107.80000
   83    76    77    37.50000  110.70000
   83    76    78    37.50000  110.70000
   83    86    87    37.50000  110.70000
   83    86    88    37.50000  110.70000
   83    86    89    70.00000  109.69300
   85    83    84    33.00000  107.80000
   86    83    84    37.50000  110.70000
   86    83    85    37.50000  110.70000
   86    89    90    70.00000  117.00000
   86    89    91    70.00000  117.00000
   88    86    87    33.00000  107.80000
   89    86    87    35.00000  109.50000
   89    86    88    35.00000  109.50000
   91    89    90    80.00000  126.00000
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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   29    33    40    67   0.44750  1.0 1.0
   29    33    40    67  -0.17800 -1.0 2.0
   29    33    40    67   0.20200  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    49   0.56750  1.0 1.0
   33    40    44    49  -0.07550 -1.0 2.0
   33    40    44    49   0.20000  1.0 3.0
   33    40    44    51   0.56750  1.0 1.0
   33    40    44    51  -0.07550 -1.0 2.0
   33    40    44    51   0.20000  1.0 3.0
   33    40    67    57   0.56750  1.0 1.0
   33    40    67    57  -0.07550 -1.0 2.0
   33    40    67    57   0.20000  1.0 3.0
   33    40    67    68   0.15000  1.0 3.0
   33    40    67    74   0.86500  1.0 1.0
   33    40    67    74  -0.17500 -1.0 2.0
   33    40    67    74   0.20800  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   34    33    40    67   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.34400  1.0 1.0
   38    33    40    44   0.09450 -1.0 2.0
   38    33    40    44   0.11100  1.0 3.0
   38    33    40    67   0.34400  1.0 1.0
   38    33    40    67   0.09450 -1.0 2.0
   38    33    40    67   0.11100  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    54   0.09850  1.0 1.0
   38    42    46    54   0.15250 -1.0 2.0
   38    42    46    54  -0.50650  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   42    46    54    55   0.15000  1.0 3.0
   42    46    54    56   0.15000  1.0 3.0
   42    46    54    64   0.34400  1.0 1.0
   42    46    54    64   0.09450 -1.0 2.0
   42    46    54    64   0.11100  1.0 3.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    48   0.00000  1.0 1.0
   43    42    46    54   0.09700  1.0 1.0
   43    42    46    54   0.15600 -1.0 2.0
   43    42    46    54  -0.50800  1.0 3.0
   46    54    64    65   0.15000  1.0 3.0
   46    54    64    66   0.15000  1.0 3.0
   46    54    64    71   0.56750  1.0 1.0
   46    54    64    71  -0.07550 -1.0 2.0
   46    54    64    71   0.20000  1.0 3.0
   47    46    54    55   0.15000  1.0 3.0
   47    46    54    56   0.15000  1.0 3.0
   47    46    54    64   0.15000  1.0 3.0
   48    46    54    55   0.15000  1.0 3.0
   48    46    54    56   0.15000  1.0 3.0
   48    46    54    64   0.15000  1.0 3.0
   54    64    71    72   0.15000  1.0 3.0
   54    64    71    73   0.15000  1.0 3.0
   54    64    71    79   0.56750  1.0 1.0
   54    64    71    79  -0.07550 -1.0 2.0
   54    64    71    79   0.20000  1.0 3.0
   55    54    64    65   0.15000  1.0 3.0
   55    54    64    66   0.15000  1.0 3.0
   55    54    64    71   0.15000  1.0 3.0
   56    54    64    65   0.15000  1.0 3.0
   56    54    64    66   0.15000  1.0 3.0
   56    54    64    71   0.15000  1.0 3.0
   64    71    79    80   0.15000  1.0 3.0
   64    71    79    81   0.15000  1.0 3.0
   64    71    79    82   0.15000  1.0 3.0
   65    64    71    72   0.15000  1.0 3.0
   65    64    71    73   0.15000  1.0 3.0
   65    64    71    79   0.15000  1.0 3.0
   66    64    71    72   0.15000  1.0 3.0
   66    64    71    73   0.15000  1.0 3.0
   66    64    71    79   0.15000  1.0 3.0
   72    71    79    80   0.15000  1.0 3.0
   72    71    79    81   0.15000  1.0 3.0
   72    71    79    82   0.15000  1.0 3.0
   73    71    79    80   0.15000  1.0 3.0
   73    71    79    81   0.15000  1.0 3.0
   73    71    79    82   0.15000  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42   0.09850  1.0 1.0
   40    33    38    42   0.15250 -1.0 2.0
   40    33    38    42  -0.50650  1.0 3.0
   40    44    49    50   0.15000  1.0 3.0
   40    44   -49    57   0.56750  1.0 1.0
   40    44   -49    57  -0.07550 -1.0 2.0
   40    44   -49    57   0.20000  1.0 3.0
   40    44    49    60   0.86500  1.0 1.0
   40    44    49    60  -0.17500 -1.0 2.0
   40    44    49    60   0.20800  1.0 3.0
   40    44    51    52   0.15000  1.0 3.0
   40    44    51    53   0.15000  1.0 3.0
   40    44    51    62   0.34400  1.0 1.0
   40    44    51    62   0.09450 -1.0 2.0
   40    44    51    62   0.11100  1.0 3.0
   40    67    74    75  -0.11600  1.0 1.0
   40    67    74    75  -0.09450 -1.0 2.0
   40    67    74    75   0.21250  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    49   0.15000  1.0 3.0
   41    40    44    51   0.15000  1.0 3.0
   41    40    67    57   0.15000  1.0 3.0
   41    40    67    68   0.15000  1.0 3.0
   41    40    67    74   0.23400  1.0 3.0
   44    40   -67    57   0.56750  1.0 1.0
   44    40   -67    57  -0.07550 -1.0 2.0
   44    40   -67    57   0.20000  1.0 3.0
   44    40    67    68   0.15000  1.0 3.0
   44    40    67    74   0.86500  1.0 1.0
   44    40    67    74  -0.17500 -1.0 2.0
   44    40    67    74   0.20800  1.0 3.0
   44    49    57    58   0.15000  1.0 3.0
   44    49    57    59   0.15000  1.0 3.0
   44    49   -57    67   0.56750  1.0 1.0
   44    49   -57    67  -0.07550 -1.0 2.0
   44    49   -57    67   0.20000  1.0 3.0
   44    49    60    61  -0.11600  1.0 1.0
   44    49    60    61  -0.09450 -1.0 2.0
   44    49    60    61   0.21250  1.0 3.0
   44    51    62    63   0.00000  1.0 1.0
   44    51    62    69   0.09850  1.0 1.0
   44    51    62    69   0.15250 -1.0 2.0
   44    51    62    69  -0.50650  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   45    44    49    57   0.15000  1.0 3.0
   45    44    49    60   0.23400  1.0 3.0
   45    44    51    52   0.15000  1.0 3.0
   45    44    51    53   0.15000  1.0 3.0
   45    44    51    62   0.15000  1.0 3.0
   49    44    51    52   0.15000  1.0 3.0
   49    44    51    53   0.15000  1.0 3.0
   49    44    51    62   0.34400  1.0 1.0
   49    44    51    62   0.09450 -1.0 2.0
   49    44    51    62   0.11100  1.0 3.0
   49    57   -67    40   0.56750  1.0 1.0
   49    57   -67    40  -0.07550 -1.0 2.0
   49    57   -67    40   0.20000  1.0 3.0
   49    57    67    68   0.15000  1.0 3.0
   49    57    67    74   0.86500  1.0 1.0
   49    57    67    74  -0.17500 -1.0 2.0
   49    57    67    74   0.20800  1.0 3.0
   50    49    57    58   0.15000  1.0 3.0
   50    49    57    59   0.15000  1.0 3.0
   50    49    57    67   0.15000  1.0 3.0
   50    49    60    61   0.19450  1.0 3.0
   57    49    60    61  -0.11600  1.0 1.0
   57    49    60    61  -0.09450 -1.0 2.0
   57    49    60    61   0.21250  1.0 3.0
   57    67    74    75  -0.11600  1.0 1.0
   57    67    74    75  -0.09450 -1.0 2.0
   57    67    74    75   0.21250  1.0 3.0
   58    57    67    40   0.15000  1.0 3.0
   58    57    67    68   0.15000  1.0 3.0
   58    57    67    74   0.23400  1.0 3.0
   59    57    67    40   0.15000  1.0 3.0
   59    57    67    68   0.15000  1.0 3.0
   59    57    67    74   0.23400  1.0 3.0
   67    40    44    45   0.15000  1.0 3.0
   67    40   -44    49   0.56750  1.0 1.0
   67    40   -44    49  -0.07550 -1.0 2.0
   67    40   -44    49   0.20000  1.0 3.0
   67    40    44    51   0.56750  1.0 1.0
   67    40    44    51  -0.07550 -1.0 2.0
   67    40    44    51   0.20000  1.0 3.0
   68    67    74    75   0.19450  1.0 3.0
   60    49    57    58   0.23400  1.0 3.0
   60    49    57    59   0.23400  1.0 3.0
   60    49    57    67   0.86500  1.0 1.0
   60    49    57    67  -0.17500 -1.0 2.0
   60    49    57    67   0.20800  1.0 3.0
   51    44    49    50   0.15000  1.0 3.0
   51    44    49    57   0.56750  1.0 1.0
   51    44    49    57  -0.07550 -1.0 2.0
   51    44    49    57   0.20000  1.0 3.0
   51    44    49    60   0.86500  1.0 1.0
   51    44    49    60  -0.17500 -1.0 2.0
   51    44    49    60   0.20800  1.0 3.0
   51    62    69    70   7.00000 -1.0 2.0
   51    62    69    76   7.00000 -1.0 2.0
   52    51    62    63   0.33100  1.0 3.0
   52    51    62    69   0.00000  1.0 1.0
   53    51    62    63   0.33100  1.0 3.0
   53    51    62    69   0.00000  1.0 1.0
   62    69    76    77   0.00000  1.0 1.0
   62    69    76    78   0.00000  1.0 1.0
   62    69    76    83   0.09850  1.0 1.0
   62    69    76    83   0.15250 -1.0 2.0
   62    69    76    83  -0.50650  1.0 3.0
   63    62    69    70   7.00000 -1.0 2.0
   63    62    69    76   7.00000 -1.0 2.0
   69    76    83    84   0.15000  1.0 3.0
   69    76    83    85   0.15000  1.0 3.0
   69    76    83    86   0.34400  1.0 1.0
   69    76    83    86   0.09450 -1.0 2.0
   69    76    83    86   0.11100  1.0 3.0
   70    69    76    77   0.33100  1.0 3.0
   70    69    76    78   0.33100  1.0 3.0
   70    69    76    83   0.00000  1.0 1.0
   76    83    86    87   0.15000  1.0 3.0
   76    83    86    88   0.15000  1.0 3.0
   76    83    86    89  -1.63150  1.0 1.0
   76    83    86    89  -0.43550 -1.0 2.0
   76    83    86    89   0.24500  1.0 3.0
   77    76    83    84   0.15000  1.0 3.0
   77    76    83    85   0.15000  1.0 3.0
   77    76    83    86   0.15000  1.0 3.0
   78    76    83    84   0.15000  1.0 3.0
   78    76    83    85   0.15000  1.0 3.0
   78    76    83    86   0.15000  1.0 3.0
   83    86    89    90   0.41150 -1.0 2.0
   83    86    89    91   0.41150 -1.0 2.0
   84    83    86    87   0.15000  1.0 3.0
   84    83    86    88   0.15000  1.0 3.0
   84    83    86    89  -0.11250  1.0 3.0
   85    83    86    87   0.15000  1.0 3.0
   85    83    86    88   0.15000  1.0 3.0
   85    83    86    89  -0.11250  1.0 3.0
   87    86    89    90   0.00000  1.0 1.0
   87    86    89    91   0.00000  1.0 1.0
   88    86    89    90   0.00000  1.0 1.0
   88    86    89    91   0.00000  1.0 1.0
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    39    38    42  15.00000 -1.0 2.0
   46    43    42    38  15.00000 -1.0 2.0
   51    63    62    69  15.00000 -1.0 2.0
   76    70    69    62  15.00000 -1.0 2.0
   90    86    89    91  10.50000 -1.0 2.0
END
