* LIGAND DATABASE FILE (OPLS2005)
*
001      91    90    165    232     477
    1     0 S   NP   _N1_     1    28.70398    95.44359   -25.12764
    2     1 S   H    _HN1     2     1.02826    30.81839   179.18555
    3     1 S   H    _H1_     3     1.02797   118.30013  -103.58368
    4     1 S   H    _H2_     4     1.02947    76.21854     0.13706
    5     1 S   CT   _CA1     5     1.50134   123.58050   105.68067
    6     5 S   HC   _HA1     6     1.09564   105.15159    90.94038
    7     5 S   CO3  _C1_     7     1.53800   112.59595   -29.29698
    8     7 S   O2Z  _O11     8     1.26378   115.00123   -38.13089
    9     7 S   O2Z  _O12     9     1.26231   114.99857   140.98403
   10     5 S   CT   _CB1    10     1.53056   107.40336  -150.92845
   11    10 S   HC   HB11    11     1.09847   109.49667   -47.70051
   12    10 S   HC   HB12    12     1.09792   110.35772    68.85076
   13    10 S   CT   _CG1    13     1.53039   112.66477  -168.50498
   14    13 S   HC   HG11    14     1.09551   110.91494   -66.58091
   15    13 S   HC   HG12    15     1.09650   109.58810    52.66975
   16    13 S   C    _CD1    16     1.51778   111.73125   173.53947
   17    16 S   O    _OE1    17     1.22778   122.97116    20.30064
   18    16 S   N    _N2_    18     1.38612   112.02373  -160.41650
   19    18 S   H    _HN2    19     1.01578   119.14331     1.54788
   20    18 S   CT1  _CA2    20     1.46285   123.37424   177.68066
   21    20 S   HC   _HA2    21     1.09739   109.22984     6.33190
   22    20 S   C    _C2_    22     1.53638   109.04834  -109.27851
   23    22 S   O    _O2_    23     1.23077   122.20682  -150.70750
   24    20 S   CT   _CB2    32     1.53453   111.54990   128.19139
   25    24 S   HC   HB21    33     1.09412   109.39202    58.71065
   26    24 S   HC   HB22    34     1.09375   109.77268   177.54329
   27    22 S   N    _N3_    24     1.38300   113.82952    36.79550
   28    27 S   H    _HN3    25     1.01546   119.54203    -3.44748
   29    24 S   S    _SG2    35     1.82954   110.84040   -62.47203
   30    27 S   CT   _CA3    26     1.45268   123.36452   177.24743
   31    30 S   HC   HA31    27     1.09545   107.51470   -64.94292
   32    30 S   HC   HA32    28     1.09553   108.00930    51.53497
   33    29 S   CT   _C16    36     1.88560   101.74635   174.74887
   34    30 S   CO3  _C3_    29     1.52995   113.98293   173.52162
   35    34 S   O2Z  _O31    30     1.26397   116.06399    -0.69069
   36    34 S   O2Z  _O32    31     1.26422   114.42565   179.37945
   37    33 S   CM   _C15    37     1.53114   104.18448  -179.73533
   38    37 S   HC   _H25    38     1.09110   115.29875   -50.90056
   39    33 S   CM   _C18    73     1.52710   106.60813   -61.05891
   40    39 S   HC   _H29    74     1.09596   112.26641   -55.46522
   41    33 S   CT   _C17    88     1.53640   108.00412    67.03203
   42    41 S   HC   _H26    89     1.09403   112.87083   -65.23281
   43    41 S   HC   _H27    90     1.09793   111.81554    55.38176
   44    41 S   HC   _H28    91     1.09725   111.05891   173.93651
   45    37 S   CM   _C14    39     1.34410   127.78799   128.51340
   46    45 S   HC   _H24    40     1.08644   120.58324     2.18445
   47    39 S   CMA  _C19    75     1.35769   132.56323   124.57969
   48    47 S   OM   _O34    76     1.26862   123.03766   179.15096
   49    45 S   CT   _C13    41     1.50330   123.19069  -176.04403
   50    49 S   HC   _H22    42     1.09749   107.83677  -118.65194
   51    49 S   HC   _H23    43     1.09700   110.83690    -2.98380
   52    47 S   OS   _O35    77     1.40766   112.82191     0.56683
   53    49 S   CT   _C5_    44     1.54383   112.87516   120.88761
   54    53 S   HC   _H3_    45     1.09933   107.52194    64.60732
   55    52 S   CT   _C20    78     1.43662   117.13265  -146.45965
   56    55 S   HC   _H30    79     1.09647   111.36138   -46.44598
   57    53 S   CT   _C4_    46     1.53172   109.76376  -179.58457
   58    57 S   HC   _H4_    47     1.09462   111.75808    59.98535
   59    57 S   HC   _H5_    48     1.09542   110.52938   -59.88222
   60    57 S   HC   _H6_    49     1.09500   110.89716  -179.18363
   61    53 S   CT   _C6_    50     1.54556   114.55567   -53.37494
   62    61 S   HC   _H7_    51     1.09733   109.01250    64.01492
   63    61 S   HC   _H8_    52     1.09809   108.48588   178.52634
   64    55 S   CT   _C21    80     1.52689   110.49100    76.89486
   65    64 S   HC   _H31    81     1.09541   111.02380    54.77886
   66    64 S   HC   _H32    82     1.09445   111.14145   175.82425
   67    64 S   HC   _H33    83     1.09462   111.10798   -63.78697
   68    55 S   CT   _C22    84     1.52628   106.52971  -163.54476
   69    68 S   HC   _H34    85     1.09584   111.04867   -58.73973
   70    68 S   HC   _H35    86     1.09427   111.36917   179.89721
   71    68 S   HC   _H36    87     1.09550   110.30940    59.29135
   72    61 S   CT   _C7_    53     1.53377   115.48994   -59.16289
   73    72 S   HC   _H9_    54     1.09284   109.85539    55.63658
   74    72 S   HC   _H10    55     1.09466   109.63371   -62.14331
   75    72 S   CT   _C8_    56     1.53663   110.64587   176.57875
   76    75 S   HC   _H11    57     1.09827   109.16142   -59.11918
   77    75 S   HC   _H12    58     1.09731   108.03430    55.70643
   78    75 S   CT   _C9_    59     1.54864   114.73323   177.96049
   79    78 S   CT   _C10    60     1.53742   109.73971  -175.43704
   80    79 S   HC   _H13    61     1.09524   111.54445    55.34184
   81    79 S   HC   _H14    62     1.09572   110.98151   174.38078
   82    79 S   HC   _H15    63     1.09483   111.24864   -64.61321
   83    78 S   CT   _C11    64     1.53760   110.46493    65.92778
   84    83 S   HC   _H16    65     1.09501   111.63246   -65.73195
   85    83 S   HC   _H17    66     1.09447   111.72083    56.31122
   86    83 S   HC   _H18    67     1.09669   110.56925   176.79387
   87    78 S   OS   _O33    68     1.43611   112.12225   -51.02782
   88    87 S   CT   _C12    69     1.41969   116.91820   -66.15246
   89    88 S   HC   _H19    70     1.09387   107.79984   175.34752
   90    88 S   HC   _H20    71     1.09239   111.79692    56.95665
   91    88 S   HC   _H21    72     1.09297   111.04601   -66.95629
  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  11   5   4   3
  14   2   1   1  14   5  10   4   5   2   1   1   8   4   6   2
  12   5   4  10  12   8   9   8   7   3   2   1   9   5   4   7
   3   2   1   3   2   1   1   9   5   4  13   5   4  13   9   4
   3   2   5   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    39    40    47    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    46    49    39    40    47    48    52    41    42    43    44  
   35    36  
   36  
    0  
   38    45    46    49    50    51    53    39    40    47    41    42    43    44  
   45    46    49    39    41  
   40    47    48    52    55    41    42    43    44    45  
   47    48    52    41  
   42    43    44    45    47  
   43    44  
   44  
    0  
   46    49    50    51    53    54    57    61  
   49    50    51    53  
   48    52    55    56    64    68  
   52    55  
   50    51    53    54    57    58    59    60    61    62    63    72  
   51    53    54    57    61  
   53    54    57    61  
   55    56    64    65    66    67    68    69    70    71  
   54    57    58    59    60    61    62    63    72    73    74    75  
   57    58    59    60    61    62    63    72  
   56    64    65    66    67    68    69    70    71  
   64    65    66    67    68    69    70    71  
   58    59    60    61    62    63    72  
   59    60    61  
   60    61  
   61  
   62    63    72    73    74    75    76    77    78  
   63    72    73    74    75  
   72    73    74    75  
   65    66    67    68    69    70    71  
   66    67    68  
   67    68  
   68  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76    77    78    79    83    87  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78    79    80    81    82    83    84    85    86    87    88  
   77    78    79    83    87  
   78    79    83    87  
   79    80    81    82    83    84    85    86    87    88    89    90    91  
   80    81    82    83    84    85    86    87    88  
   81    82    83    87  
   82    83    87  
   83    87  
   84    85    86    87    88  
   85    86    87  
   86    87  
   87  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   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   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   88   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.030000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    39   317.000  1.510
   33    41   268.000  1.529
   37    38   340.000  1.080
   37    45   549.000  1.340
   45    46   340.000  1.080
   45    49   317.000  1.510
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    61   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   268.000  1.529
   78    83   268.000  1.529
   78    87   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   87    88   320.000  1.410
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   39    40   340.000  1.080
   39    47   465.000  1.376
   47    48   745.000  1.250
   47    52   440.000  1.360
   52    55   320.000  1.410
   55    56   340.000  1.090
   55    64   268.000  1.529
   55    68   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    39    75.00000  112.20000
   29    33    41    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    45    70.00000  124.00000
   33    39    40    35.00000  117.00000
   33    39    47    70.00000  124.00000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   37    45    46    35.00000  120.00000
   37    45    49    70.00000  124.00000
   45    37    38    35.00000  120.00000
   45    49    50    35.00000  109.50000
   45    49    51    35.00000  109.50000
   45    49    53    70.00000  112.02700
   49    45    46    35.00000  117.00000
   49    53    54    37.50000  110.70000
   49    53    57    58.35000  112.70000
   49    53    61    58.35000  112.70000
   51    49    50    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    60    37.50000  110.70000
   53    61    62    37.50000  110.70000
   53    61    63    37.50000  110.70000
   53    61    72    58.35000  112.70000
   57    53    54    37.50000  110.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    53    54    37.50000  110.70000
   61    53    57    58.35000  112.70000
   61    72    73    37.50000  110.70000
   61    72    74    37.50000  110.70000
   61    72    75    58.35000  112.70000
   63    61    62    33.00000  107.80000
   72    61    62    37.50000  110.70000
   72    61    63    37.50000  110.70000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    78    79    58.35000  112.70000
   75    78    83    58.35000  112.70000
   75    78    87    50.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   78    79    80    37.50000  110.70000
   78    79    81    37.50000  110.70000
   78    79    82    37.50000  110.70000
   78    83    84    37.50000  110.70000
   78    83    85    37.50000  110.70000
   78    83    86    37.50000  110.70000
   78    87    88    60.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    78    79    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   87    78    79    50.00000  109.50000
   87    78    83    50.00000  109.50000
   87    88    89    35.00000  109.50000
   87    88    90    35.00000  109.50000
   87    88    91    35.00000  109.50000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   39    33    37    70.00000  110.12100
   39    47    48    65.00000  137.10300
   39    47    52    80.00000  120.01400
   47    39    40    40.00000  120.50800
   47    52    55    90.00000  111.18400
   52    47    48    65.00000  121.00000
   52    55    56    35.00000  109.50000
   52    55    64    50.00000  109.50000
   52    55    68    50.00000  109.50000
   55    64    65    37.50000  110.70000
   55    64    66    37.50000  110.70000
   55    64    67    37.50000  110.70000
   55    68    69    37.50000  110.70000
   55    68    70    37.50000  110.70000
   55    68    71    37.50000  110.70000
   64    55    56    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    55    56    37.50000  110.70000
   68    55    64    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
   41    33    37    70.00000  112.02700
   41    33    39    70.00000  112.02700
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    37    38   0.00000  1.0 1.0
   29    33    37    45   0.42700  1.0 1.0
   29    33    37    45  -0.70350 -1.0 2.0
   29    33    37    45  -0.43150  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    47   0.42700  1.0 1.0
   29    33    39    47  -0.70350 -1.0 2.0
   29    33    39    47  -0.43150  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   33    37    45    46   7.00000 -1.0 2.0
   33    37    45    49   7.00000 -1.0 2.0
   33    39    47    48   7.00000 -1.0 2.0
   33    39    47    52   7.00000 -1.0 2.0
   37    33    39    40   0.00000  1.0 1.0
   37    33    39    47  -0.28300  1.0 1.0
   37    33    39    47   0.26700 -1.0 2.0
   37    33    39    47  -0.63300  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    45    49    50   0.00000  1.0 1.0
   37    45    49    51   0.00000  1.0 1.0
   37    45    49    53   0.09850  1.0 1.0
   37    45    49    53   0.15250 -1.0 2.0
   37    45    49    53  -0.50650  1.0 3.0
   38    37    45    46   7.00000 -1.0 2.0
   38    37    45    49   7.00000 -1.0 2.0
   45    49    53    54   0.15000  1.0 3.0
   45    49    53    57   0.34400  1.0 1.0
   45    49    53    57   0.09450 -1.0 2.0
   45    49    53    57   0.11100  1.0 3.0
   45    49    53    61   0.34400  1.0 1.0
   45    49    53    61   0.09450 -1.0 2.0
   45    49    53    61   0.11100  1.0 3.0
   46    45    49    50   0.33100  1.0 3.0
   46    45    49    51   0.33100  1.0 3.0
   46    45    49    53   0.00000  1.0 1.0
   49    53    57    58   0.15000  1.0 3.0
   49    53    57    59   0.15000  1.0 3.0
   49    53    57    60   0.15000  1.0 3.0
   49    53    61    62   0.15000  1.0 3.0
   49    53    61    63   0.15000  1.0 3.0
   49    53    61    72   0.56750  1.0 1.0
   49    53    61    72  -0.07550 -1.0 2.0
   49    53    61    72   0.20000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    57   0.15000  1.0 3.0
   50    49    53    61   0.15000  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    57   0.15000  1.0 3.0
   51    49    53    61   0.15000  1.0 3.0
   53    61    72    73   0.15000  1.0 3.0
   53    61    72    74   0.15000  1.0 3.0
   53    61    72    75   0.56750  1.0 1.0
   53    61    72    75  -0.07550 -1.0 2.0
   53    61    72    75   0.20000  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    59   0.15000  1.0 3.0
   54    53    57    60   0.15000  1.0 3.0
   54    53    61    62   0.15000  1.0 3.0
   54    53    61    63   0.15000  1.0 3.0
   54    53    61    72   0.15000  1.0 3.0
   57    53    61    62   0.15000  1.0 3.0
   57    53    61    63   0.15000  1.0 3.0
   57    53    61    72   0.56750  1.0 1.0
   57    53    61    72  -0.07550 -1.0 2.0
   57    53    61    72   0.20000  1.0 3.0
   61    53    57    58   0.15000  1.0 3.0
   61    53    57    59   0.15000  1.0 3.0
   61    53    57    60   0.15000  1.0 3.0
   61    72    75    76   0.15000  1.0 3.0
   61    72    75    77   0.15000  1.0 3.0
   61    72    75    78   0.56750  1.0 1.0
   61    72    75    78  -0.07550 -1.0 2.0
   61    72    75    78   0.20000  1.0 3.0
   62    61    72    73   0.15000  1.0 3.0
   62    61    72    74   0.15000  1.0 3.0
   62    61    72    75   0.15000  1.0 3.0
   63    61    72    73   0.15000  1.0 3.0
   63    61    72    74   0.15000  1.0 3.0
   63    61    72    75   0.15000  1.0 3.0
   72    75    78    79   0.56750  1.0 1.0
   72    75    78    79  -0.07550 -1.0 2.0
   72    75    78    79   0.20000  1.0 3.0
   72    75    78    83   0.56750  1.0 1.0
   72    75    78    83  -0.07550 -1.0 2.0
   72    75    78    83   0.20000  1.0 3.0
   72    75    78    87   0.62750  1.0 1.0
   72    75    78    87  -0.30950 -1.0 2.0
   72    75    78    87   0.27300  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   73    72    75    78   0.15000  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    77   0.15000  1.0 3.0
   74    72    75    78   0.15000  1.0 3.0
   75    78    79    80   0.15000  1.0 3.0
   75    78    79    81   0.15000  1.0 3.0
   75    78    79    82   0.15000  1.0 3.0
   75    78    83    84   0.15000  1.0 3.0
   75    78    83    85   0.15000  1.0 3.0
   75    78    83    86   0.15000  1.0 3.0
   75    78    87    88   0.06250  1.0 1.0
   75    78    87    88  -0.01100 -1.0 2.0
   75    78    87    88   0.28050  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    83   0.15000  1.0 3.0
   76    75    78    87   0.23400  1.0 3.0
   77    75    78    79   0.15000  1.0 3.0
   77    75    78    83   0.15000  1.0 3.0
   77    75    78    87   0.23400  1.0 3.0
   78    87    88    89   0.37050  1.0 3.0
   78    87    88    90   0.37050  1.0 3.0
   78    87    88    91   0.37050  1.0 3.0
   79    78    83    84   0.15000  1.0 3.0
   79    78    83    85   0.15000  1.0 3.0
   79    78    83    86   0.15000  1.0 3.0
   79    78    87    88   0.06250  1.0 1.0
   79    78    87    88  -0.01100 -1.0 2.0
   79    78    87    88   0.28050  1.0 3.0
   83    78    79    80   0.15000  1.0 3.0
   83    78    79    81   0.15000  1.0 3.0
   83    78    79    82   0.15000  1.0 3.0
   83    78    87    88   0.06250  1.0 1.0
   83    78    87    88  -0.01100 -1.0 2.0
   83    78    87    88   0.28050  1.0 3.0
   87    78    79    80   0.23400  1.0 3.0
   87    78    79    81   0.23400  1.0 3.0
   87    78    79    82   0.23400  1.0 3.0
   87    78    83    84   0.23400  1.0 3.0
   87    78    83    85   0.23400  1.0 3.0
   87    78    83    86   0.23400  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    45  -0.28300  1.0 1.0
   39    33    37    45   0.26700 -1.0 2.0
   39    33    37    45  -0.63300  1.0 3.0
   39    33    41    42   0.15000  1.0 3.0
   39    33    41    43   0.15000  1.0 3.0
   39    33    41    44   0.15000  1.0 3.0
   39    47    52    55  -2.26850  1.0 1.0
   39    47    52    55   3.39050 -1.0 2.0
   40    39    47    48   7.00000 -1.0 2.0
   40    39    47    52   7.00000 -1.0 2.0
   47    52    55    56   0.08050  1.0 3.0
   47    52    55    64  -0.46850  1.0 1.0
   47    52    55    64   0.09300 -1.0 2.0
   47    52    55    64  -0.12850  1.0 3.0
   47    52    55    68  -0.46850  1.0 1.0
   47    52    55    68   0.09300 -1.0 2.0
   47    52    55    68  -0.12850  1.0 3.0
   48    47    52    55   2.00000 -1.0 2.0
   52    55    64    65   0.23400  1.0 3.0
   52    55    64    66   0.23400  1.0 3.0
   52    55    64    67   0.23400  1.0 3.0
   52    55    68    69   0.23400  1.0 3.0
   52    55    68    70   0.23400  1.0 3.0
   52    55    68    71   0.23400  1.0 3.0
   56    55    64    65   0.15000  1.0 3.0
   56    55    64    66   0.15000  1.0 3.0
   56    55    64    67   0.15000  1.0 3.0
   56    55    68    69   0.15000  1.0 3.0
   56    55    68    70   0.15000  1.0 3.0
   56    55    68    71   0.15000  1.0 3.0
   64    55    68    69   0.15000  1.0 3.0
   64    55    68    70   0.15000  1.0 3.0
   64    55    68    71   0.15000  1.0 3.0
   68    55    64    65   0.15000  1.0 3.0
   68    55    64    66   0.15000  1.0 3.0
   68    55    64    67   0.15000  1.0 3.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    45   0.09850  1.0 1.0
   41    33    37    45   0.15250 -1.0 2.0
   41    33    37    45  -0.50650  1.0 3.0
   41    33    39    40   0.00000  1.0 1.0
   41    33    39    47   0.09850  1.0 1.0
   41    33    39    47   0.15250 -1.0 2.0
   41    33    39    47  -0.50650  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    45  15.00000 -1.0 2.0
   49    46    45    37  15.00000 -1.0 2.0
   33    40    39    47  15.00000 -1.0 2.0
   48    52    47    39  15.00000 -1.0 2.0
END
