* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    152    227     435
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02075   106.64368   -13.87512
    3     1 S   H    _H1_     3     1.02100    55.77650    87.70770
    4     1 S   H    _H2_     4     1.02169    56.31349  -115.55055
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08491   110.56590    58.77998
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C19    36     1.85243    97.44664  -158.12161
   34    33 S   HC   _H3_    37     1.08592   104.16440   -34.97782
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   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   _C18    38     1.54552   107.45214    79.95097
   39    38 S   HC   _H38    39     1.11192   109.59890   -41.29207
   40    38 S   CO4  _C12    40     1.52133   111.31283    75.41667
   41    40 S   O    _O22    41     1.23086   121.56192  -152.20708
   42    38 S   CT   _C24    77     1.52899   113.63952  -161.31535
   43    42 S   HC   _H49    78     1.09239   108.53395   -64.66465
   44    42 S   HC   _H50    79     1.09175   108.70078   178.69224
   45    40 S   CM   _C10    42     1.48322   118.94900    30.96252
   46    45 S   HC   _H31    43     1.08503   117.47422   177.11364
   47    42 S   CM   _C15    80     1.49336   110.97545    58.38578
   48    47 S   HC   _H35    81     1.08705   117.57590    59.98026
   49    45 S   CM   _C11    44     1.34033   121.17494    -4.24704
   50    47 S   CM   _C13    82     1.33750   123.79565  -121.18066
   51    50 S   HC   _H32    83     1.08397   121.58754   179.97202
   52    50 S   HC   _H33    84     1.08472   120.39473    -0.03956
   53    33 S   CT   _C20    45     1.55666   113.37352  -154.60452
   54    49 S   OS   _O25    72     1.38630   120.71612   176.16335
   55    53 S   CM   _C16    46     1.50810   111.85026    48.67175
   56    53 S   OS   _O26    67     1.43737   107.28316   163.76463
   57    54 S   CT   _C22    73     1.40493   112.42005    -0.00000
   58    57 S   HC   _H43    74     1.09232   109.50604  -179.96574
   59    57 S   HC   _H44    75     1.09282   109.46289    59.21887
   60    57 S   HC   _H45    76     1.09257   108.97407   -60.39319
   61    55 S   CM   _C14    47     1.34675   120.27093   -97.21847
   62    61 S   HC   _H34    48     1.08810   119.76405     1.33472
   63    55 S   CT   _C21    63     1.50471   114.42186    82.06215
   64    63 S   HC   _H40    64     1.09459   110.11803   -89.22851
   65    63 S   HC   _H41    65     1.09555   110.04536   151.35947
   66    63 S   HC   _H42    66     1.09355   113.34308    31.77507
   67    56 S   CT   _C23    68     1.41589   111.05500   160.48706
   68    67 S   HC   _H46    69     1.09212   109.55725  -180.00000
   69    67 S   HC   _H47    70     1.09220   109.55979    59.13694
   70    67 S   HC   _H48    71     1.09326   108.93932   -60.43878
   71    61 S   CA   _C7_    49     1.46648   126.00523  -179.24308
   72    71 S   CA   _C4_    50     1.40640   119.62289   120.49261
   73    72 S   HA   _H28    51     1.08782   120.43882    -0.03956
   74    72 S   CA   _C5_    52     1.39733   120.60018  -180.00000
   75    74 S   HA   _H29    53     1.08381   120.81523  -180.00000
   76    74 S   CA   _C8_    54     1.37942   117.63331     0.00000
   77    76 S   CA   _C9_    55     1.37619   121.78725    -0.04846
   78    71 S   CA   _C6_    56     1.39642   119.79533   -59.51083
   79    78 S   HA   _H30    57     1.08541   121.66866    -0.00000
   80    77 S   OS   _O24    58     1.36062   112.34366  -179.98022
   81    80 S   CO   _C17    59     1.44258   101.02115     0.05935
   82    81 S   HC   _H36    60     1.09566   108.60168  -120.90042
   83    81 S   HC   _H37    61     1.09570   108.69513   120.89869
   84    76 S   OS   _O23    62     1.36030   125.91305  -179.94766
  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
  18   8   2   1   1  15   8  10   4   9   4   3   7   3   4   3
  11   2   1   1  15   6  11   6   3   2   1   1  12   4   4   2
   1   1   3   2   1   1   9   8   4   7   3   8   7   4   1   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    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    53    55    56    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    49    53    55    61    63    56    67    54    42    43    44    47  
   38    39    40    49    53    55    56    42  
   36    37  
   37  
    0  
   39    40    41    45    46    49    53    55    56    42    43    44    47    48    50  
   40    41    45    53    42    43    44    47  
   41    45    46    49    53    54    42    43    44    47  
   45    46    49    42  
   43    44    47    48    50    51    52    45    53  
   44    47    48    50  
   47    48    50  
   46    49    53    55    56    54    57  
   49    53    54  
   48    50    51    52  
   50    51    52  
   53    55    61    63    56    67    54    57    58    59    60  
   51    52  
   52  
    0  
   55    61    62    71    63    64    65    66    56    67    68    69    70    54    57  
   57    58    59    60    55    56  
   61    62    71    72    78    63    64    65    66    56    67  
   67    68    69    70    61    63  
   58    59    60  
   59    60  
   60  
    0  
   62    71    72    73    74    77    78    79    63    64    65    66  
   71    72    78    63  
   64    65    66    71  
   65    66  
   66  
    0  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74    75    76    77    78    79    80  
   73    74    75    76    77    78    79    84  
   74    75    76    78  
   75    76    77    78    80    81    84  
   76    77    84  
   77    78    79    80    81    82    83    84  
   78    79    80    81    82    83    84  
   79    80    81    84  
   80  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.016000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.338000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   57   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   84   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
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    53   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   268.000  1.529
   40    41   570.000  1.229
   40    45   320.000  1.462
   45    46   340.000  1.080
   45    49   549.000  1.340
   49    53   317.000  1.510
   49    54   440.000  1.360
   53    55   317.000  1.510
   53    56   320.000  1.410
   55    61   549.000  1.340
   55    63   317.000  1.510
   61    62   340.000  1.080
   61    71   320.000  1.460
   71    72   469.000  1.400
   71    78   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   469.000  1.400
   76    84   450.000  1.364
   77    78   469.000  1.400
   77    80   450.000  1.364
   78    79   367.000  1.080
   80    81   320.000  1.380
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   320.000  1.380
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   56    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   54    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   317.000  1.510
   47    48   340.000  1.080
   47    50   549.000  1.340
   50    51   340.000  1.080
   50    52   340.000  1.080
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    53    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    58.35000  112.70000
   33    53    49    70.00000  112.02700
   33    53    55    70.00000  112.02700
   33    53    56    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    45    65.00000  118.62400
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    47    70.00000  112.02700
   40    38    39    35.00000  109.50000
   40    45    46    40.00000  117.72500
   40    45    49    65.00000  118.96000
   45    40    41    80.00000  123.72100
   45    49    53    70.00000  124.00000
   45    49    54    80.00000  120.01400
   49    45    46    35.00000  120.00000
   49    53    55    70.00000  110.12100
   49    53    56    85.00000  110.90400
   49    54    57    90.00000  111.18400
   53    33    34    37.50000  110.70000
   53    33    38    58.35000  112.70000
   53    55    61    70.00000  124.00000
   53    55    63    65.00000  117.92700
   53    56    67    60.00000  109.50000
   55    61    62    35.00000  120.00000
   55    61    71    60.00000  123.20500
   55    63    64    35.00000  109.50000
   55    63    65    35.00000  109.50000
   55    63    66    35.00000  109.50000
   61    71    72    60.00000  120.93500
   61    71    78    60.00000  120.93500
   71    61    62    40.00000  117.26300
   71    72    73    35.00000  120.00000
   71    72    74    63.00000  120.00000
   71    78    77    63.00000  120.00000
   71    78    79    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    63.00000  120.00000
   74    76    84    70.00000  120.00000
   76    74    75    35.00000  120.00000
   76    77    78    63.00000  120.00000
   76    77    80    70.00000  120.00000
   76    84    81   100.00000  112.36700
   77    78    79    35.00000  120.00000
   77    80    81   100.00000  112.36700
   78    71    72    63.00000  120.00000
   80    77    78    70.00000  120.00000
   80    81    82    35.00000  109.50000
   80    81    83    35.00000  109.50000
   80    81    84    92.60000  111.55000
   83    81    82    33.00000  109.50000
   84    76    77    70.00000  120.00000
   84    81    82    35.00000  109.50000
   84    81    83    35.00000  109.50000
   63    55    61    70.00000  124.00000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   56    53    55    85.00000  110.90400
   56    67    68    35.00000  109.50000
   56    67    69    35.00000  109.50000
   56    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   54    49    53    85.00000  112.85300
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    60    35.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    63.00000  111.10000
   42    47    48    35.00000  117.00000
   42    47    50    70.00000  124.00000
   44    42    43    33.00000  107.80000
   47    42    43    35.00000  109.50000
   47    42    44    35.00000  109.50000
   47    50    51    35.00000  120.00000
   47    50    52    35.00000  120.00000
   50    47    48    35.00000  120.00000
   52    50    51    35.00000  117.00000
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   0.01700  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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    53    49   0.56750  1.0 1.0
   29    33    53    49  -0.07550 -1.0 2.0
   29    33    53    49   0.20000  1.0 3.0
   29    33    53    55   0.56750  1.0 1.0
   29    33    53    55  -0.07550 -1.0 2.0
   29    33    53    55   0.20000  1.0 3.0
   29    33    53    56   0.56750  1.0 1.0
   29    33    53    56  -0.07550 -1.0 2.0
   29    33    53    56   0.20000  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38    40    45   0.65300  1.0 1.0
   33    38    40    45  -0.03850 -1.0 2.0
   33    38    40    45   0.33900  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    47   0.34400  1.0 1.0
   33    38    42    47   0.09450 -1.0 2.0
   33    38    42    47   0.11100  1.0 3.0
   33    53    55    61   0.09850  1.0 1.0
   33    53    55    61   0.15250 -1.0 2.0
   33    53    55    61  -0.50650  1.0 3.0
   33    53    55    63   0.46850  1.0 1.0
   33    53    55    63   0.08550 -1.0 2.0
   33    53    55    63   0.09800  1.0 3.0
   33    53    56    67   0.06250  1.0 1.0
   33    53    56    67  -0.01100 -1.0 2.0
   33    53    56    67   0.28050  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    53    49   0.15000  1.0 3.0
   34    33    53    55   0.15000  1.0 3.0
   34    33    53    56   0.23400  1.0 3.0
   38    33    53    49   0.34400  1.0 1.0
   38    33    53    49   0.09450 -1.0 2.0
   38    33    53    49   0.11100  1.0 3.0
   38    33    53    55   0.34400  1.0 1.0
   38    33    53    55   0.09450 -1.0 2.0
   38    33    53    55   0.11100  1.0 3.0
   38    33    53    56   0.62750  1.0 1.0
   38    33    53    56  -0.30950 -1.0 2.0
   38    33    53    56   0.27300  1.0 3.0
   38    40    45    46   0.04550  1.0 1.0
   38    40    45    46   0.83000 -1.0 2.0
   38    40    45    46  -0.04000  1.0 3.0
   38    40   -45    49  -0.33500  1.0 1.0
   38    40   -45    49   1.06600 -1.0 2.0
   38    40   -45    49  -0.14000  1.0 3.0
   38    42    47    48   0.00000  1.0 1.0
   38    42    47    50   0.09850  1.0 1.0
   38    42    47    50   0.15250 -1.0 2.0
   38    42    47    50  -0.50650  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    45   0.00000  1.0 1.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    47   0.15000  1.0 3.0
   40    38    42    43  -0.11250  1.0 3.0
   40    38    42    44  -0.11250  1.0 3.0
   40    38    42    47  -0.98800  1.0 1.0
   40    38    42    47   0.48800 -1.0 2.0
   40    38    42    47   0.76800  1.0 3.0
   40    45    49    53   7.00000 -1.0 2.0
   40    45    49    54   7.00000 -1.0 2.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    49   1.00000 -1.0 2.0
   45    49   -53    33   0.09850  1.0 1.0
   45    49   -53    33   0.15250 -1.0 2.0
   45    49   -53    33  -0.50650  1.0 3.0
   45    49    53    55  -0.28300  1.0 1.0
   45    49    53    55   0.26700 -1.0 2.0
   45    49    53    55  -0.63300  1.0 3.0
   45    49    53    56   0.39000  1.0 1.0
   45    49    53    56  -0.05800 -1.0 2.0
   45    49    53    56  -0.55150  1.0 3.0
   45    49    54    57  -2.26850  1.0 1.0
   45    49    54    57   3.39050 -1.0 2.0
   46    45    49    53   7.00000 -1.0 2.0
   46    45    49    54   7.00000 -1.0 2.0
   49    53    55    61  -0.28300  1.0 1.0
   49    53    55    61   0.26700 -1.0 2.0
   49    53    55    61  -0.63300  1.0 3.0
   49    53    55    63   0.09700  1.0 1.0
   49    53    55    63   0.15600 -1.0 2.0
   49    53    55    63  -0.50800  1.0 3.0
   49    53    56    67  -0.77900  1.0 1.0
   49    53    56    67  -0.36900 -1.0 2.0
   49    53    56    67   0.40400  1.0 3.0
   49    54    57    58   0.08050  1.0 3.0
   49    54    57    59   0.08050  1.0 3.0
   49    54    57    60   0.08050  1.0 3.0
   53    33    38    39   0.15000  1.0 3.0
   53    33   -38    40  -0.95700  1.0 1.0
   53    33   -38    40  -0.18200 -1.0 2.0
   53    33   -38    40   0.29450  1.0 3.0
   53    33    38    42   0.56750  1.0 1.0
   53    33    38    42  -0.07550 -1.0 2.0
   53    33    38    42   0.20000  1.0 3.0
   53    49    54    57   2.00000 -1.0 2.0
   53    55    61    62   7.00000 -1.0 2.0
   53    55    61    71   7.00000 -1.0 2.0
   53    55    63    64   0.34800  1.0 3.0
   53    55    63    65   0.34800  1.0 3.0
   53    55    63    66   0.34800  1.0 3.0
   53    56    67    68   0.37050  1.0 3.0
   53    56    67    69   0.37050  1.0 3.0
   53    56    67    70   0.37050  1.0 3.0
   55    53    56    67  -0.77900  1.0 1.0
   55    53    56    67  -0.36900 -1.0 2.0
   55    53    56    67   0.40400  1.0 3.0
   55    61    71    72   0.15800  1.0 1.0
   55    61    71    72   1.85350 -1.0 2.0
   55    61    71    72  -0.48700  1.0 3.0
   55    61    71    78   0.15800  1.0 1.0
   55    61    71    78   1.85350 -1.0 2.0
   55    61    71    78  -0.48700  1.0 3.0
   61    55    63    64   0.00000  1.0 1.0
   61    55    63    65   0.00000  1.0 1.0
   61    55    63    66   0.00000  1.0 1.0
   61    71    72    73   3.62500 -1.0 2.0
   61    71    72    74   3.62500 -1.0 2.0
   61    71    78    77   3.62500 -1.0 2.0
   61    71    78    79   3.62500 -1.0 2.0
   62    61    71    72   0.56550  1.0 3.0
   62    61    71    78   0.56550  1.0 3.0
   71    72    74    75   3.62500 -1.0 2.0
   71    72    74    76   3.62500 -1.0 2.0
   72    71    78    77   3.62500 -1.0 2.0
   72    71    78    79   3.62500 -1.0 2.0
   72    74   -76    77   3.62500 -1.0 2.0
   72    74    76    84   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76    77    78   3.62500 -1.0 2.0
   74    76    77    80   3.62500 -1.0 2.0
   74    76    84    81   1.63200 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    84   3.62500 -1.0 2.0
   76    77   -78    71   3.62500 -1.0 2.0
   76    77    78    79   3.62500 -1.0 2.0
   76    77   -80    81   1.63200 -1.0 2.0
   77    76   -84    81   1.63200 -1.0 2.0
   77    80    81    82   0.08050  1.0 3.0
   77    80    81    83   0.08050  1.0 3.0
   77    80   -81    84  -0.25600  1.0 1.0
   77    80   -81    84  -0.40050 -1.0 2.0
   77    80   -81    84   0.34700  1.0 3.0
   78    71    72    73   3.62500 -1.0 2.0
   78    71   -72    74   3.62500 -1.0 2.0
   78    77    80    81   1.63200 -1.0 2.0
   80    77    78    71   3.62500 -1.0 2.0
   80    77    78    79   3.62500 -1.0 2.0
   80    81   -84    76  -0.25600  1.0 1.0
   80    81   -84    76  -0.40050 -1.0 2.0
   80    81   -84    76   0.34700  1.0 3.0
   82    81    84    76   0.08050  1.0 3.0
   83    81    84    76   0.08050  1.0 3.0
   84    76    77    78   3.62500 -1.0 2.0
   84    76   -77    80   3.62500 -1.0 2.0
   63    55    61    62   7.00000 -1.0 2.0
   63    55    61    71   7.00000 -1.0 2.0
   56    53    55    61   0.39000  1.0 1.0
   56    53    55    61  -0.05800 -1.0 2.0
   56    53    55    61  -0.55150  1.0 3.0
   56    53    55    63   0.09700  1.0 1.0
   56    53    55    63   0.15600 -1.0 2.0
   56    53    55    63  -0.50800  1.0 3.0
   54    49    53    33   0.09700  1.0 1.0
   54    49    53    33   0.15600 -1.0 2.0
   54    49    53    33  -0.50800  1.0 3.0
   54    49    53    55   0.09700  1.0 1.0
   54    49    53    55   0.15600 -1.0 2.0
   54    49    53    55  -0.50800  1.0 3.0
   54    49    53    56   0.09700  1.0 1.0
   54    49    53    56   0.15600 -1.0 2.0
   54    49    53    56  -0.50800  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    45   0.65300  1.0 1.0
   42    38    40    45  -0.03850 -1.0 2.0
   42    38    40    45   0.33900  1.0 3.0
   42    47    50    51   7.00000 -1.0 2.0
   42    47    50    52   7.00000 -1.0 2.0
   43    42    47    48   0.33100  1.0 3.0
   43    42    47    50   0.00000  1.0 1.0
   44    42    47    48   0.33100  1.0 3.0
   44    42    47    50   0.00000  1.0 1.0
   48    47    50    51   7.00000 -1.0 2.0
   48    47    50    52   7.00000 -1.0 2.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   38    45    40    41  10.50000 -1.0 2.0
   40    46    45    49   1.10000 -1.0 2.0
   53    54    49    45   1.10000 -1.0 2.0
   53    63    55    61  15.00000 -1.0 2.0
   71    62    61    55  15.00000 -1.0 2.0
   72    78    71    61   4.00000 -1.0 2.0
   74    73    72    71   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   77    84    76    74   4.00000 -1.0 2.0
   78    80    77    76   4.00000 -1.0 2.0
   77    79    78    71   1.10000 -1.0 2.0
   42    48    47    50  15.00000 -1.0 2.0
   51    52    50    47  15.00000 -1.0 2.0
END
