* LIGAND DATABASE FILE (OPLS2005)
*
001      93    94    172    260     512
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02087    97.04755    27.40779
    3     1 S   H    _H1_     3     1.02161    34.89452   140.16143
    4     1 S   H    _H2_     4     1.02100    82.32966   -80.61126
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C13    36     1.83563    97.70065   161.82996
   34    33 S   HC   _H6_    37     1.10040   105.43101    34.49521
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C12    38     1.54835   110.05576   -79.98457
   39    38 S   HC   _H16    39     1.09638   111.84301    44.32587
   40    38 S   HC   _H17    40     1.09453   110.04795   161.56377
   41    33 S   CT   _C14    53     1.54686   110.10117   151.21067
   42    41 S   HC   _H7_    54     1.09679   110.74498    50.47186
   43    38 S   NP   _N4_    41     1.52118   112.77240   -78.19090
   44    43 S   H    _H5_    42     1.02470   108.38351    -2.91517
   45    41 S   CT   _C16    55     1.54003   114.32820   -70.65808
   46    45 S   HC   _H18    56     1.09588   112.49007   -68.05349
   47    45 S   HC   _H19    57     1.09327   111.21757    51.99871
   48    43 S   CT   _C11    43     1.51770   115.24780  -122.07003
   49    48 S   HC   _H14    44     1.09609   107.52686   -67.61655
   50    48 S   HC   _H15    45     1.09625   105.86301   176.59676
   51    45 S   OS   _O36    58     1.44857   109.22663   167.93241
   52    43 S   CT   _C22    90     1.51298   111.63124   111.99691
   53    52 S   HC   _H26    91     1.09107   107.79641    62.88409
   54    52 S   HC   _H27    92     1.09104   107.78244  -177.10254
   55    52 S   HC   _H28    93     1.09207   107.79387   -57.08420
   56    48 S   CT   _C10    46     1.53357   115.43925    56.12737
   57    56 S   HC   _H12    47     1.09788   107.73271   162.04908
   58    56 S   HC   _H13    48     1.09707   109.05807   -85.12028
   59    51 S   CO4  _C17    59     1.36641   119.09695   105.47535
   60    59 S   O    _O37    60     1.22566   125.54648    -3.56161
   61    56 S   CT   _C9_    49     1.52183   115.62178    39.62995
   62    61 S   HC   _H4_    50     1.09359   112.50049    36.87014
   63    59 S   CT   _C18    61     1.53489   110.84509   176.92381
   64    61 S   CO4  _C15    51     1.51610   110.27232   -88.03906
   65    64 S   O    _O35    52     1.23282   121.74845   -70.95464
   66    63 S   CT   _C5_    62     1.55807   110.36090    85.87546
   67    66 S   HC   _H3_    63     1.09699   106.57916   -51.59138
   68    63 S   CT   _C19    79     1.53280   109.82926  -146.91365
   69    68 S   HC   _H20    80     1.08741   109.52584   180.00000
   70    68 S   HC   _H21    81     1.08723   109.50252    60.08097
   71    68 S   HC   _H22    82     1.08670   109.57193   -60.01291
   72    63 S   OS   _O38    83     1.43155   106.80273   -31.38607
   73    66 S   CM   _C6_    64     1.52221   114.14766    70.13483
   74    73 S   HC   _H11    65     1.08955   114.55660    63.55693
   75    66 S   CT   _C4_    75     1.53822   112.53730  -166.54616
   76    75 S   HC   _H8_    76     1.08514   109.24923   -64.25160
   77    75 S   HC   _H9_    77     1.08403   109.29474   175.70057
   78    75 S   HC   _H10    78     1.08504   109.26824    55.70893
   79    72 S   CO4  _C20    84     1.36337   115.37783   -59.99941
   80    79 S   O    _O39    85     1.22373   126.48216    30.00646
   81    73 S   CM   _C7_    66     1.34615   128.05427  -117.99513
   82    79 S   CT   _C21    86     1.49865   109.47326  -150.03411
   83    82 S   HC   _H23    87     1.09304   109.85291   -89.99204
   84    82 S   HC   _H24    88     1.09278   109.86016   148.12974
   85    82 S   HC   _H25    89     1.09322   109.38058    29.10474
   86    81 S   CO4  _C8_    67     1.47789   118.52131     1.49397
   87    86 S   O    _O33    68     1.21994   124.41998   -68.53976
   88    81 S   CM   _C23    70     1.43981   122.75461  -179.68847
   89    88 S   HC   _H29    71     1.09232   119.78287    -0.04846
   90    61 S   OS   _O34    69     1.44119   110.77544   161.71070
   91    88 S   CM   _C24    72     1.34442   119.62375  -180.00000
   92    91 S   HC   _H30    73     1.08466   121.48703   180.00000
   93    91 S   HC   _H31    74     1.08522   120.91924    -0.09691
  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  10   5   4   3
  17   8   2   1   1  16   6   5  13   7  12   8   9   4   3  13
   6   5   7   4   2   1   1   8   5   4  12   4   7   4  17   3
   1  16   9   7   3   2   1   8  12   4   4   2   1   1   5   4
   8   3   2   1   1   5   2   5   3   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    64    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    48    61    64    65    41    42    45    46    47    51    52  
   38    39    40    43    64    41    42    45  
   36    37  
   37  
    0  
   39    40    43    44    48    49    50    56    64    41    42    45    52    53    54    55  
   40    43    44    48    41    52  
   43    44    48    41    52  
   42    45    46    47    51    59    90    43    56    61    62    64    65  
   45    46    47    51    61    64    65  
   44    48    49    50    56    57    58    61    52    53    54    55  
   48    49    50    56    52    53    54    55  
   46    47    51    59    60    63    61    64    65  
   47    51    59    64  
   51    59    64  
   49    50    56    57    58    61    62    64    90    52    53    54    55  
   50    56    57    58    61    52  
   56    57    58    61    52  
   59    60    63    66    68    72    64  
   53    54    55    56  
   54    55  
   55  
    0  
   57    58    61    62    64    65    86    90  
   58    61    62    64    90  
   61    62    64    90  
   60    63    66    67    73    75    68    69    70    71    72    79  
   63    66    68    72  
   62    64    65    81    86    87    90  
   64    65    86    90  
   66    67    73    74    81    75    76    77    78    68    69    70    71    72    79    80    82  
   65    86    90  
   90  
   67    73    74    81    86    88    75    76    77    78    68    69    70    71    72    79  
   73    74    81    75    76    77    78    68    72  
   69    70    71    72    79    73    75  
   70    71    72  
   71    72  
   72  
   79    80    82    83    84    85    73    75  
   74    81    86    87    90    88    89    91    75    76    77    78  
   81    86    88    75  
   76    77    78    81  
   77    78  
   78  
    0  
   80    82    83    84    85  
   82    83    84    85  
   86    87    90    88    89    91    92    93  
   83    84    85  
   84    85  
   85  
    0  
   87    90    88    89    91  
   90    88  
   89    91    92    93    90  
   91    92    93  
    0  
   92    93  
   93  
    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   1.6450   1.4500   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   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   43   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   44   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   52   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5000   0.0660   0.268000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   88   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   89   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   90   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   91   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   92   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   93   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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   367.000  1.471
   43    44   434.000  1.010
   43    48   367.000  1.471
   43    52   367.000  1.471
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    64   317.000  1.522
   61    90   320.000  1.410
   64    65   570.000  1.229
   64    41   317.000  1.522
   41    42   340.000  1.090
   41    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    51   320.000  1.410
   51    59   214.000  1.327
   59    60   570.000  1.229
   59    63   317.000  1.522
   63    66   268.000  1.529
   63    68   268.000  1.529
   63    72   320.000  1.410
   66    67   340.000  1.090
   66    73   317.000  1.510
   66    75   268.000  1.529
   73    74   340.000  1.080
   73    81   549.000  1.340
   81    86   320.000  1.462
   81    88   380.000  1.444
   86    87   570.000  1.229
   86    90   214.000  1.327
   88    89   340.000  1.080
   88    91   549.000  1.340
   91    92   340.000  1.080
   91    93   340.000  1.080
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    79   214.000  1.327
   79    80   570.000  1.229
   79    82   317.000  1.522
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    80.00000  111.20000
   33    41    64    63.00000  111.10000
   33    41    42    37.50000  110.70000
   33    41    45    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    35.00000  109.50000
   38    43    48    75.00000  113.01200
   38    43    52    75.00000  113.01200
   40    38    39    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    35.00000  109.50000
   43    48    49    35.00000  109.50000
   43    48    50    35.00000  109.50000
   43    48    56    80.00000  111.20000
   43    52    53    35.00000  109.50000
   43    52    54    35.00000  109.50000
   43    52    55    35.00000  109.50000
   48    43    44    35.00000  109.50000
   48    56    57    37.50000  110.70000
   48    56    58    37.50000  110.70000
   48    56    61    58.35000  112.70000
   50    48    49    33.00000  107.80000
   56    48    49    37.50000  110.70000
   56    48    50    37.50000  110.70000
   56    61    62    37.50000  110.70000
   56    61    64    63.00000  111.10000
   56    61    90    50.00000  109.50000
   58    56    57    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    64    65    80.00000  120.40000
   61    64    41    70.00000  116.00000
   61    90    86    83.00000  116.90000
   64    61    62    35.00000  109.50000
   64    41    42    35.00000  109.50000
   64    41    45    63.00000  111.10000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    64    65    80.00000  120.40000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    51    50.00000  109.50000
   45    41    42    37.50000  110.70000
   45    51    59    83.00000  116.90000
   47    45    46    33.00000  107.80000
   51    45    46    35.00000  109.50000
   51    45    47    35.00000  109.50000
   51    59    60    83.00000  123.40000
   51    59    63    81.00000  111.40000
   59    63    66    63.00000  111.10000
   59    63    68    63.00000  111.10000
   59    63    72    90.00000  108.74100
   63    59    60    80.00000  120.40000
   63    66    67    37.50000  110.70000
   63    66    73    70.00000  112.02700
   63    66    75    58.35000  112.70000
   63    68    69    37.50000  110.70000
   63    68    70    37.50000  110.70000
   63    68    71    37.50000  110.70000
   63    72    79    83.00000  116.90000
   66    73    74    35.00000  117.00000
   66    73    81    70.00000  124.00000
   66    75    76    37.50000  110.70000
   66    75    77    37.50000  110.70000
   66    75    78    37.50000  110.70000
   73    66    67    35.00000  109.50000
   73    81    86    65.00000  118.96000
   73    81    88    70.00000  123.01800
   81    73    74    35.00000  120.00000
   81    86    87    80.00000  123.72100
   81    86    90    90.00000  111.29400
   81    88    89    35.00000  120.00000
   81    88    91    70.00000  123.01800
   90    61    62    35.00000  109.50000
   90    61    64    90.00000  108.74100
   90    86    87    83.00000  123.40000
   88    81    86    65.00000  118.96000
   88    91    92    35.00000  120.00000
   88    91    93    35.00000  120.00000
   91    88    89    35.00000  120.00000
   93    91    92    35.00000  117.00000
   75    66    67    37.50000  110.70000
   75    66    73    70.00000  112.02700
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   68    63    66    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    63    66    50.00000  109.50000
   72    63    68    50.00000  109.50000
   72    79    80    83.00000  123.40000
   72    79    82    81.00000  111.40000
   79    82    83    35.00000  109.50000
   79    82    84    35.00000  109.50000
   79    82    85    35.00000  109.50000
   82    79    80    80.00000  120.40000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   52    43    44    35.00000  109.50000
   52    43    48    75.00000  113.01200
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    41    64   0.56750  1.0 1.0
   29    33    41    64  -0.07550 -1.0 2.0
   29    33    41    64   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   33    38    43    44   0.17350  1.0 3.0
   33    38    43    48   0.47100  1.0 1.0
   33    38    43    52   0.47100  1.0 1.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    47   0.15000  1.0 3.0
   33    41    45    51   0.62750  1.0 1.0
   33    41    45    51  -0.30950 -1.0 2.0
   33    41    45    51   0.27300  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.19200  1.0 3.0
   34    33    41    64  -0.11250  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    45   0.15000  1.0 3.0
   38    33    41    64  -0.95700  1.0 1.0
   38    33    41    64  -0.18200 -1.0 2.0
   38    33    41    64   0.29450  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    45   0.56750  1.0 1.0
   38    33    41    45  -0.07550 -1.0 2.0
   38    33    41    45   0.20000  1.0 3.0
   38    43    48    49   0.15000  1.0 3.0
   38    43    48    50   0.15000  1.0 3.0
   38    43    48    56   0.47100  1.0 1.0
   38    43    52    53   0.15000  1.0 3.0
   38    43    52    54   0.15000  1.0 3.0
   38    43    52    55   0.15000  1.0 3.0
   39    38    43    44   0.13050  1.0 3.0
   39    38    43    48   0.15000  1.0 3.0
   39    38    43    52   0.15000  1.0 3.0
   40    38    43    44   0.13050  1.0 3.0
   40    38    43    48   0.15000  1.0 3.0
   40    38    43    52   0.15000  1.0 3.0
   43    48    56    57   0.19200  1.0 3.0
   43    48    56    58   0.19200  1.0 3.0
   43    48    56    61   1.36600  1.0 1.0
   43    48    56    61  -0.11450 -1.0 2.0
   43    48    56    61   0.24250  1.0 3.0
   44    43    48    49   0.13050  1.0 3.0
   44    43    48    50   0.13050  1.0 3.0
   44    43    48    56   0.17350  1.0 3.0
   44    43    52    53   0.13050  1.0 3.0
   44    43    52    54   0.13050  1.0 3.0
   44    43    52    55   0.13050  1.0 3.0
   48    43    52    53   0.15000  1.0 3.0
   48    43    52    54   0.15000  1.0 3.0
   48    43    52    55   0.15000  1.0 3.0
   48    56    61    62   0.15000  1.0 3.0
   48    56    61    64  -0.95700  1.0 1.0
   48    56    61    64  -0.18200 -1.0 2.0
   48    56    61    64   0.29450  1.0 3.0
   48    56    61    90   0.62750  1.0 1.0
   48    56    61    90  -0.30950 -1.0 2.0
   48    56    61    90   0.27300  1.0 3.0
   49    48    56    57   0.15000  1.0 3.0
   49    48    56    58   0.15000  1.0 3.0
   49    48    56    61   0.15000  1.0 3.0
   50    48    56    57   0.15000  1.0 3.0
   50    48    56    58   0.15000  1.0 3.0
   50    48    56    61   0.15000  1.0 3.0
   56    61    64    65   0.30150 -1.0 2.0
   56    61    64    41   0.60050  1.0 1.0
   56    61    64    41   0.05600 -1.0 2.0
   56    61    64    41   0.26150  1.0 3.0
   56    61    90    86  -0.25900  1.0 1.0
   56    61    90    86  -0.47000 -1.0 2.0
   56    61    90    86   0.11750  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    64  -0.11250  1.0 3.0
   57    56    61    90   0.23400  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    64  -0.11250  1.0 3.0
   58    56    61    90   0.23400  1.0 3.0
   61    64    41    33   0.60050  1.0 1.0
   61    64    41    33   0.05600 -1.0 2.0
   61    64    41    33   0.26150  1.0 3.0
   61    64    41    42   0.00000  1.0 1.0
   61    64    41    45   0.60050  1.0 1.0
   61    64    41    45   0.05600 -1.0 2.0
   61    64    41    45   0.26150  1.0 3.0
   62    61    64    65   0.00000  1.0 1.0
   62    61    64    41   0.00000  1.0 1.0
   62    61    90    86   0.08050  1.0 3.0
   64    61    90    86  -1.80650  1.0 1.0
   64    61    90    86   0.63900 -1.0 2.0
   64    61    90    86   0.03650  1.0 3.0
   64    41    45    46  -0.11250  1.0 3.0
   64    41    45    47  -0.11250  1.0 3.0
   64    41    45    51  -0.09450  1.0 1.0
   64    41    45    51  -1.12950 -1.0 2.0
   64    41    45    51   0.54000  1.0 3.0
   65    64    41    33   0.30150 -1.0 2.0
   65    64    41    42   0.00000  1.0 1.0
   65    64    41    45   0.30150 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   1.36600  1.0 1.0
   41    33    38    43  -0.11450 -1.0 2.0
   41    33    38    43   0.24250  1.0 3.0
   41    45    51    59  -0.25900  1.0 1.0
   41    45    51    59  -0.47000 -1.0 2.0
   41    45    51    59   0.11750  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    47   0.15000  1.0 3.0
   42    41    45    51   0.23400  1.0 3.0
   45    51    59    60   3.00000 -1.0 2.0
   45    51    59    63   1.63150  1.0 1.0
   45    51    59    63   2.92000 -1.0 2.0
   46    45    51    59   0.08050  1.0 3.0
   47    45    51    59   0.08050  1.0 3.0
   51    59    63    66   0.36750  1.0 3.0
   51    59    63    68   0.36750  1.0 3.0
   51    59    63    72   0.40000  1.0 3.0
   59    63    66    67  -0.11250  1.0 3.0
   59    63    66    73  -0.98800  1.0 1.0
   59    63    66    73   0.48800 -1.0 2.0
   59    63    66    73   0.76800  1.0 3.0
   59    63    66    75  -0.95700  1.0 1.0
   59    63    66    75  -0.18200 -1.0 2.0
   59    63    66    75   0.29450  1.0 3.0
   59    63    68    69  -0.11250  1.0 3.0
   59    63    68    70  -0.11250  1.0 3.0
   59    63    68    71  -0.11250  1.0 3.0
   59    63    72    79  -1.80650  1.0 1.0
   59    63    72    79   0.63900 -1.0 2.0
   59    63    72    79   0.03650  1.0 3.0
   60    59    63    66   0.30150 -1.0 2.0
   60    59    63    68   0.30150 -1.0 2.0
   60    59    63    72   0.30150 -1.0 2.0
   63    66    73    74   0.00000  1.0 1.0
   63    66    73    81   0.09850  1.0 1.0
   63    66    73    81   0.15250 -1.0 2.0
   63    66    73    81  -0.50650  1.0 3.0
   63    66    75    76   0.15000  1.0 3.0
   63    66    75    77   0.15000  1.0 3.0
   63    66    75    78   0.15000  1.0 3.0
   63    72    79    80   3.00000 -1.0 2.0
   63    72    79    82   1.63150  1.0 1.0
   63    72    79    82   2.92000 -1.0 2.0
   66    63    68    69   0.15000  1.0 3.0
   66    63    68    70   0.15000  1.0 3.0
   66    63    68    71   0.15000  1.0 3.0
   66    63    72    79  -0.25900  1.0 1.0
   66    63    72    79  -0.47000 -1.0 2.0
   66    63    72    79   0.11750  1.0 3.0
   66    73    81    86   7.00000 -1.0 2.0
   66    73    81    88   7.00000 -1.0 2.0
   67    66    73    74   0.33100  1.0 3.0
   67    66    73    81   0.00000  1.0 1.0
   67    66    75    76   0.15000  1.0 3.0
   67    66    75    77   0.15000  1.0 3.0
   67    66    75    78   0.15000  1.0 3.0
   73    66    75    76   0.15000  1.0 3.0
   73    66    75    77   0.15000  1.0 3.0
   73    66    75    78   0.15000  1.0 3.0
   73    81    86    87   1.00000 -1.0 2.0
   73    81    86    90  -0.56150  1.0 1.0
   73    81    86    90   2.19150 -1.0 2.0
   73    81    88    89  -0.18600  1.0 3.0
   73    81    88    91   0.28850  1.0 1.0
   73    81    88    91   2.61350 -1.0 2.0
   73    81    88    91   0.78400  1.0 3.0
   74    73    81    86   7.00000 -1.0 2.0
   74    73    81    88   7.00000 -1.0 2.0
   81    86    90    61   2.00000 -1.0 2.0
   81    88    91    92   7.00000 -1.0 2.0
   81    88    91    93   7.00000 -1.0 2.0
   86    81    88    89   0.00000  1.0 1.0
   86    81    88    91  -0.18600  1.0 3.0
   87    86    90    61   3.00000 -1.0 2.0
   90    61    64    65   0.30150 -1.0 2.0
   90    61    64    41   0.55300  1.0 1.0
   90    61    64    41   1.25850 -1.0 2.0
   90    61    64    41  -0.23600  1.0 3.0
   88    81    86    87   1.00000 -1.0 2.0
   88    81    86    90  -0.56150  1.0 1.0
   88    81    86    90   2.19150 -1.0 2.0
   89    88    91    92   7.00000 -1.0 2.0
   89    88    91    93   7.00000 -1.0 2.0
   75    66    73    74   0.00000  1.0 1.0
   75    66    73    81   0.09850  1.0 1.0
   75    66    73    81   0.15250 -1.0 2.0
   75    66    73    81  -0.50650  1.0 3.0
   68    63    66    67   0.15000  1.0 3.0
   68    63    66    73   0.34400  1.0 1.0
   68    63    66    73   0.09450 -1.0 2.0
   68    63    66    73   0.11100  1.0 3.0
   68    63    66    75   0.56750  1.0 1.0
   68    63    66    75  -0.07550 -1.0 2.0
   68    63    66    75   0.20000  1.0 3.0
   68    63    72    79  -0.25900  1.0 1.0
   68    63    72    79  -0.47000 -1.0 2.0
   68    63    72    79   0.11750  1.0 3.0
   72    63    66    67   0.23400  1.0 3.0
   72    63    66    73   0.61850  1.0 1.0
   72    63    66    73  -0.22750 -1.0 2.0
   72    63    66    73   0.15300  1.0 3.0
   72    63    66    75   0.62750  1.0 1.0
   72    63    66    75  -0.30950 -1.0 2.0
   72    63    66    75   0.27300  1.0 3.0
   72    63    68    69   0.23400  1.0 3.0
   72    63    68    70   0.23400  1.0 3.0
   72    63    68    71   0.23400  1.0 3.0
   72    79    82    83   0.00000  1.0 1.0
   72    79    82    84   0.00000  1.0 1.0
   72    79    82    85   0.00000  1.0 1.0
   80    79    82    83   0.00000  1.0 1.0
   80    79    82    84   0.00000  1.0 1.0
   80    79    82    85   0.00000  1.0 1.0
   52    43    48    49   0.15000  1.0 3.0
   52    43    48    50   0.15000  1.0 3.0
   52    43    48    56   0.47100  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
   61    41    64    65  10.50000 -1.0 2.0
   51    63    59    60  10.50000 -1.0 2.0
   66    74    73    81   1.10000 -1.0 2.0
   86    88    81    73   1.10000 -1.0 2.0
   81    90    86    87  10.50000 -1.0 2.0
   81    89    88    91  15.00000 -1.0 2.0
   92    93    91    88  15.00000 -1.0 2.0
   72    82    79    80  10.50000 -1.0 2.0
END
