* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    152    248     450
    1     0 S   NP   _N1_     1    29.39157    93.15172   -23.74226
    2     1 S   H    _HN1     2     1.02774   107.51003   -87.72016
    3     1 S   H    _H1_     3     1.02956    88.82394    21.18455
    4     1 S   H    _H2_     4     1.02823    19.91132   177.84015
    5     1 S   CT   _CA1     5     1.50149   126.37724   135.79387
    6     5 S   HC   _HA1     6     1.09577   105.17163    73.27485
    7     5 S   CO3  _C1_     7     1.53796   112.44838   -46.80540
    8     7 S   O2Z  _O11     8     1.26367   115.00941   -40.99239
    9     7 S   O2Z  _O12     9     1.26249   114.94703   138.00448
   10     5 S   CT   _CB1    10     1.53070   107.36884  -168.84622
   11    10 S   HC   HB11    11     1.09826   109.26010   -50.20184
   12    10 S   HC   HB12    12     1.09822   110.44945    66.35442
   13    10 S   CT   _CG1    13     1.52980   112.70281  -171.29491
   14    13 S   HC   HG11    14     1.09592   110.43460   -65.62809
   15    13 S   HC   HG12    15     1.09659   109.98926    53.63617
   16    13 S   C    _CD1    16     1.51782   112.29216   173.88227
   17    16 S   O    _OE1    17     1.22738   123.31032    -1.17303
   18    16 S   N    _N2_    18     1.38691   111.64981   179.15674
   19    18 S   H    _HN2    19     1.01582   119.04321     1.66976
   20    18 S   CT1  _CA2    20     1.46045   123.23445   179.54286
   21    20 S   HC   _HA2    21     1.09571   109.25857    -2.41962
   22    20 S   C    _C2_    22     1.53457   109.00185  -117.50546
   23    22 S   O    _O2_    23     1.23064   122.17822  -149.93933
   24    20 S   CT   _CB2    32     1.53389   111.79287   119.86207
   25    24 S   HC   HB21    33     1.09656   109.59525    64.60773
   26    24 S   HC   HB22    34     1.09574   110.80914  -178.12403
   27    22 S   N    _N3_    24     1.38313   113.70856    37.63068
   28    27 S   H    _HN3    25     1.01618   119.52702    -3.68987
   29    24 S   S    _SG2    35     1.82892   114.78237   -55.11741
   30    27 S   CT   _CA3    26     1.45281   123.13061   176.86893
   31    30 S   HC   HA31    27     1.09553   107.54066   -63.38827
   32    30 S   HC   HA32    28     1.09559   107.92774    53.01111
   33    29 S   CT   _C18    36     1.83121    99.95536   -66.06093
   34    33 S   HC   _H3_    37     1.09321   106.13662   -60.44660
   35    33 S   HC   _H4_    38     1.09221   108.55826    57.93152
   36    30 S   CO3  _C3_    29     1.52933   114.15301   174.98722
   37    36 S   O2Z  _O31    30     1.26363   116.07927    -0.72036
   38    36 S   O2Z  _O32    31     1.26432   114.40263   179.33677
   39    33 S   CT   _C6_    39     1.52539   111.34778   179.59555
   40    39 S   HC   _H24    40     1.10039   109.13582    42.74080
   41    39 S   CO4  _C4_    41     1.50755   113.82514   -75.43868
   42    41 S   O    _O16    42     1.22008   127.19468    27.38289
   43    41 S   OS   _O17    43     1.36251   108.90030  -155.47153
   44    43 S   CT   _C10    44     1.44544   110.97256     6.96002
   45    44 S   HC   _H28    45     1.09703   106.81765  -100.00735
   46    44 S   CT   _C5_    46     1.53368   105.00342   143.66982
   47    46 S   HC   _H22    47     1.09949   108.24686    57.97984
   48    46 S   HC   _H23    48     1.09641   108.92054   -53.02707
   49    39 S   CT   _C7_    62     1.54656   118.11107   165.29136
   50    49 S   HC   _H25    63     1.09674   106.15474   -84.08406
   51    46 S   CT   _C9_    49     1.53377   117.08260  -178.13187
   52    51 S   HC   _H27    50     1.09796   107.77974   163.36306
   53    51 S   CT   _C8_    51     1.52709   112.33573    42.66651
   54    53 S   HC   _H26    52     1.09819   107.32866   -75.63140
   55    51 S   CT   _C16    73     1.53578   110.04318   -80.80442
   56    55 S   HC   _H33    74     1.09511   111.51984    63.22721
   57    55 S   HC   _H34    75     1.09534   110.74343   -56.98286
   58    55 S   HC   _H35    76     1.09480   111.17898  -176.23397
   59    53 S   C3T  _C11    53     1.51313   114.86048   168.31745
   60    59 S   HC   _H29    54     1.07729   118.83135   -15.57256
   61    59 S   C3T  _C12    55     1.49460   107.58842  -155.66594
   62    61 S   HC   _H30    56     1.07757   119.95892   140.38320
   63    61 S   CT   _C14    57     1.50647   107.42357     1.59569
   64    63 S   HC   _H32    58     1.09686   109.60793   -93.98710
   65    59 S   O3T  _O18    72     1.43023   115.41952   141.59712
   66    53 S   CT   _C15    59     1.57060   116.98318    47.04807
   67    63 S   OH   _O20    70     1.41713   110.77127   146.08160
   68    67 S   HO   _H42    71     0.97241   107.49924    63.17745
   69    66 S   CT   _C13    60     1.57587   114.37828   -69.30970
   70    69 S   HC   _H31    61     1.09662   109.24278   105.67621
   71    66 S   CT   _C17    66     1.55649   112.23077    53.21281
   72    71 S   HC   _H36    67     1.09611   110.87658   176.03864
   73    71 S   HC   _H37    68     1.09497   112.45097    55.78237
   74    71 S   HC   _H38    69     1.09317   112.06746   -64.66221
   75    69 S   OH   _O19    64     1.42443   108.74369  -140.94644
   76    75 S   HO   _H41    65     0.97129   108.56107    70.19908
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  14   7  15   6   5
  10   4  15   8  21   9   5   2   1   1  10   5   9   5  12   6
   2  10   3   1   7   3   4   2   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    69    49    50  
   35    39    40    41    49  
   39    40    41    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    66    69    70    49    50    75  
   41    42    43    44    69    49    50  
   42    43    44    45    46    69    49    50  
   43    44    49  
   44    45    46    47    48    51    69    49    50  
   45    46    47    48    51    52    53    66    69    70    49    50    75    55  
   46    47    48    51    69    49    50  
   47    48    51    52    53    54    59    66    69    49    50    55    56    57    58  
   48    51    52    53    49    55  
   51    52    53    49    55  
   50    75    76    71    51    53    63    66    69    70  
   75    66    69    70  
   52    53    54    59    60    61    63    66    69    71    65    55    56    57    58  
   53    54    59    66    55    56    57    58  
   54    59    60    61    62    63    64    66    69    70    75    71    72    73    74    67    65    55    56    57    58  
   59    60    61    63    66    69    71    65    55  
   56    57    58    59    66  
   57    58  
   58  
    0  
   60    61    62    63    64    66    69    71    67    65  
   61    62    63    66    65  
   62    63    64    66    69    71    67    68    65  
   63    64    66    67    65  
   64    66    69    70    75    71    72    73    74    67    68    65  
   66    69    71    67    68    65  
   66    67  
   69    70    75    76    71    72    73    74    67    68  
   68    69    71  
    0  
   70    75    76    71    72    73    74  
   75    76    71  
   72    73    74    75  
   73    74  
   74  
    0  
   76  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   66   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    49   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    55   268.000  1.529
   53    54   340.000  1.090
   53    59   275.000  1.510
   53    66   268.000  1.529
   59    60   340.000  1.088
   59    61   260.000  1.509
   59    65   335.000  1.432
   61    62   340.000  1.088
   61    63   275.000  1.510
   61    65   335.000  1.432
   63    64   340.000  1.090
   63    66   268.000  1.529
   63    67   320.000  1.410
   66    69   268.000  1.529
   66    71   268.000  1.529
   69    70   340.000  1.090
   69    49   268.000  1.529
   69    75   320.000  1.410
   49    50   340.000  1.090
   75    76   553.000  0.945
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   67    68   553.000  0.945
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    49    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    49    44    58.35000  112.70000
   39    49    69    58.35000  112.70000
   39    49    50    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    49    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    51    58.35000  112.70000
   44    49    69    58.35000  112.70000
   44    49    50    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    51    52    37.50000  110.70000
   46    51    53    58.35000  112.70000
   46    51    55    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    59    70.00000  112.37300
   51    53    66    58.35000  112.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    58    37.50000  110.70000
   53    51    52    37.50000  110.70000
   53    59    60    40.00000  115.04500
   53    59    61    60.00000  120.94000
   53    59    65    80.00000  116.47100
   53    66    63    58.35000  112.70000
   53    66    69    58.35000  112.70000
   53    66    71    58.35000  112.70000
   59    53    54    45.00000  109.38400
   59    61    62    37.50000  117.20000
   59    61    63    60.00000  120.94000
   59    61    65    15.00000   60.43100
   59    65    61    15.00000   59.14900
   61    59    60    37.50000  117.20000
   61    63    64    45.00000  109.38400
   61    63    66    70.00000  112.37300
   61    63    67    50.00000  109.50000
   63    61    62    40.00000  115.04500
   63    66    69    58.35000  112.70000
   63    66    71    58.35000  112.70000
   63    67    68    55.00000  108.50000
   66    53    54    37.50000  110.70000
   66    53    59    70.00000  112.37300
   66    63    64    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    49    58.35000  112.70000
   66    69    75    50.00000  109.50000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    74    37.50000  110.70000
   69    49    50    37.50000  110.70000
   69    75    76    55.00000  108.50000
   49    39    40    37.50000  110.70000
   49    39    41    63.00000  111.10000
   49    44    45    37.50000  110.70000
   49    44    46    58.35000  112.70000
   49    69    70    37.50000  110.70000
   75    69    70    35.00000  109.50000
   75    69    49    50.00000  109.50000
   71    66    69    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   67    63    64    35.00000  109.50000
   67    63    66    50.00000  109.50000
   65    59    60    50.00000  114.27700
   65    59    61    15.00000   60.43100
   65    61    62    50.00000  114.27700
   65    61    63    80.00000  116.47100
   55    51    52    37.50000  110.70000
   55    51    53    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    49   0.44750  1.0 1.0
   29    33    39    49  -0.17800 -1.0 2.0
   29    33    39    49   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    49    44   0.56750  1.0 1.0
   33    39    49    44  -0.07550 -1.0 2.0
   33    39    49    44   0.20000  1.0 3.0
   33    39    49    69   0.56750  1.0 1.0
   33    39    49    69  -0.07550 -1.0 2.0
   33    39    49    69   0.20000  1.0 3.0
   33    39    49    50   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    49   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    49   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    49    44   0.15000  1.0 3.0
   40    39    49    69   0.15000  1.0 3.0
   40    39    49    50   0.15000  1.0 3.0
   41    39   -49    44  -0.95700  1.0 1.0
   41    39   -49    44  -0.18200 -1.0 2.0
   41    39   -49    44   0.29450  1.0 3.0
   41    39    49    69  -0.95700  1.0 1.0
   41    39    49    69  -0.18200 -1.0 2.0
   41    39    49    69   0.29450  1.0 3.0
   41    39    49    50  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    49  -0.25900  1.0 1.0
   41    43   -44    49  -0.47000 -1.0 2.0
   41    43   -44    49   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    48   0.23400  1.0 3.0
   43    44    46    51   0.62750  1.0 1.0
   43    44    46    51  -0.30950 -1.0 2.0
   43    44    46    51   0.27300  1.0 3.0
   43    44   -49    39   0.62750  1.0 1.0
   43    44   -49    39  -0.30950 -1.0 2.0
   43    44   -49    39   0.27300  1.0 3.0
   43    44    49    69   0.62750  1.0 1.0
   43    44    49    69  -0.30950 -1.0 2.0
   43    44    49    69   0.27300  1.0 3.0
   43    44    49    50   0.23400  1.0 3.0
   44    46    51    52   0.15000  1.0 3.0
   44    46    51    53   0.56750  1.0 1.0
   44    46    51    53  -0.07550 -1.0 2.0
   44    46    51    53   0.20000  1.0 3.0
   44    46    51    55   0.56750  1.0 1.0
   44    46    51    55  -0.07550 -1.0 2.0
   44    46    51    55   0.20000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    51   0.15000  1.0 3.0
   45    44    49    39   0.15000  1.0 3.0
   45    44    49    69   0.15000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   46    44    49    39   0.56750  1.0 1.0
   46    44    49    39  -0.07550 -1.0 2.0
   46    44    49    39   0.20000  1.0 3.0
   46    44    49    69   0.56750  1.0 1.0
   46    44    49    69  -0.07550 -1.0 2.0
   46    44    49    69   0.20000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    51    53    54   0.15000  1.0 3.0
   46    51    53    59   0.47050  1.0 1.0
   46    51    53    59   0.03900 -1.0 2.0
   46    51    53    59   0.20100  1.0 3.0
   46    51    53    66   0.56750  1.0 1.0
   46    51    53    66  -0.07550 -1.0 2.0
   46    51    53    66   0.20000  1.0 3.0
   46    51    55    56   0.15000  1.0 3.0
   46    51    55    57   0.15000  1.0 3.0
   46    51    55    58   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    55   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    55   0.15000  1.0 3.0
   51    53    59    60   0.15000  1.0 3.0
   51    53    59    61   0.07850  1.0 1.0
   51    53    59    61  -0.03950 -1.0 2.0
   51    53    59    61   0.67350  1.0 3.0
   51    53    59    65   0.02550  1.0 1.0
   51    53    59    65  -0.02600 -1.0 2.0
   51    53    59    65   1.20400  1.0 3.0
   51    53    66    63   0.56750  1.0 1.0
   51    53    66    63  -0.07550 -1.0 2.0
   51    53    66    63   0.20000  1.0 3.0
   51    53    66    69   0.56750  1.0 1.0
   51    53    66    69  -0.07550 -1.0 2.0
   51    53    66    69   0.20000  1.0 3.0
   51    53    66    71   0.56750  1.0 1.0
   51    53    66    71  -0.07550 -1.0 2.0
   51    53    66    71   0.20000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    59   0.15000  1.0 3.0
   52    51    53    66   0.15000  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    58   0.15000  1.0 3.0
   53    51    55    56   0.15000  1.0 3.0
   53    51    55    57   0.15000  1.0 3.0
   53    51    55    58   0.15000  1.0 3.0
   53    59    61    62   0.15000  1.0 3.0
   53    59   -61    63   0.56750  1.0 1.0
   53    59   -61    63  -0.07550 -1.0 2.0
   53    59   -61    63   0.20000  1.0 3.0
   53    59   -61    65   0.02550  1.0 1.0
   53    59   -61    65  -0.02600 -1.0 2.0
   53    59   -61    65   1.20400  1.0 3.0
   53    59   -65    61   0.06250  1.0 1.0
   53    59   -65    61  -0.01100 -1.0 2.0
   53    59   -65    61   0.28050  1.0 3.0
   53    66    69    70   0.15000  1.0 3.0
   53    66    69    49   0.56750  1.0 1.0
   53    66    69    49  -0.07550 -1.0 2.0
   53    66    69    49   0.20000  1.0 3.0
   53    66    69    75   0.86500  1.0 1.0
   53    66    69    75  -0.17500 -1.0 2.0
   53    66    69    75   0.20800  1.0 3.0
   53    66    71    72   0.15000  1.0 3.0
   53    66    71    73   0.15000  1.0 3.0
   53    66    71    74   0.15000  1.0 3.0
   54    53    59    60   0.15000  1.0 3.0
   54    53    59    61   0.15000  1.0 3.0
   54    53    59    65   0.23400  1.0 3.0
   54    53    66    63   0.15000  1.0 3.0
   54    53    66    69   0.15000  1.0 3.0
   54    53    66    71   0.15000  1.0 3.0
   59    53   -66    63   0.47050  1.0 1.0
   59    53   -66    63   0.03900 -1.0 2.0
   59    53   -66    63   0.20100  1.0 3.0
   59    53    66    69   0.47050  1.0 1.0
   59    53    66    69   0.03900 -1.0 2.0
   59    53    66    69   0.20100  1.0 3.0
   59    53    66    71   0.47050  1.0 1.0
   59    53    66    71   0.03900 -1.0 2.0
   59    53    66    71   0.20100  1.0 3.0
   59    61    63    64   0.15000  1.0 3.0
   59    61   -63    66   0.07850  1.0 1.0
   59    61   -63    66  -0.03950 -1.0 2.0
   59    61   -63    66   0.67350  1.0 3.0
   59    61    63    67   0.86500  1.0 1.0
   59    61    63    67  -0.17500 -1.0 2.0
   59    61    63    67   0.20800  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    63   0.15000  1.0 3.0
   60    59   -61    65   0.23400  1.0 3.0
   60    59   -65    61   0.36800  1.0 3.0
   61    63   -66    53   0.47050  1.0 1.0
   61    63   -66    53   0.03900 -1.0 2.0
   61    63   -66    53   0.20100  1.0 3.0
   61    63    66    69   0.47050  1.0 1.0
   61    63    66    69   0.03900 -1.0 2.0
   61    63    66    69   0.20100  1.0 3.0
   61    63    66    71   0.47050  1.0 1.0
   61    63    66    71   0.03900 -1.0 2.0
   61    63    66    71   0.20100  1.0 3.0
   61    63    67    68  -0.11600  1.0 1.0
   61    63    67    68  -0.09450 -1.0 2.0
   61    63    67    68   0.21250  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    66   0.15000  1.0 3.0
   62    61    63    67   0.23400  1.0 3.0
   62    61   -65    59   0.36800  1.0 3.0
   63    61   -65    59   0.06250  1.0 1.0
   63    61   -65    59  -0.01100 -1.0 2.0
   63    61   -65    59   0.28050  1.0 3.0
   63    66    69    70   0.15000  1.0 3.0
   63    66    69    49   0.56750  1.0 1.0
   63    66    69    49  -0.07550 -1.0 2.0
   63    66    69    49   0.20000  1.0 3.0
   63    66    69    75   0.86500  1.0 1.0
   63    66    69    75  -0.17500 -1.0 2.0
   63    66    69    75   0.20800  1.0 3.0
   63    66    71    72   0.15000  1.0 3.0
   63    66    71    73   0.15000  1.0 3.0
   63    66    71    74   0.15000  1.0 3.0
   64    63    66    53   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   64    63    66    71   0.15000  1.0 3.0
   64    63    67    68   0.19450  1.0 3.0
   66    53    59    60   0.15000  1.0 3.0
   66    53   -59    61   0.07850  1.0 1.0
   66    53   -59    61  -0.03950 -1.0 2.0
   66    53   -59    61   0.67350  1.0 3.0
   66    53    59    65   0.02550  1.0 1.0
   66    53    59    65  -0.02600 -1.0 2.0
   66    53    59    65   1.20400  1.0 3.0
   66    63    67    68  -0.11600  1.0 1.0
   66    63    67    68  -0.09450 -1.0 2.0
   66    63    67    68   0.21250  1.0 3.0
   66    69    49    39   0.56750  1.0 1.0
   66    69    49    39  -0.07550 -1.0 2.0
   66    69    49    39   0.20000  1.0 3.0
   66    69    49    44   0.56750  1.0 1.0
   66    69    49    44  -0.07550 -1.0 2.0
   66    69    49    44   0.20000  1.0 3.0
   66    69    49    50   0.15000  1.0 3.0
   66    69    75    76  -0.11600  1.0 1.0
   66    69    75    76  -0.09450 -1.0 2.0
   66    69    75    76   0.21250  1.0 3.0
   69    66    71    72   0.15000  1.0 3.0
   69    66    71    73   0.15000  1.0 3.0
   69    66    71    74   0.15000  1.0 3.0
   70    69    49    39   0.15000  1.0 3.0
   70    69    49    44   0.15000  1.0 3.0
   70    69    49    50   0.15000  1.0 3.0
   70    69    75    76   0.19450  1.0 3.0
   49    39    41    42   0.30150 -1.0 2.0
   49    39   -41    43   0.36750  1.0 3.0
   49    44    46    47   0.15000  1.0 3.0
   49    44    46    48   0.15000  1.0 3.0
   49    44    46    51   0.56750  1.0 1.0
   49    44    46    51  -0.07550 -1.0 2.0
   49    44    46    51   0.20000  1.0 3.0
   49    69    75    76  -0.11600  1.0 1.0
   49    69    75    76  -0.09450 -1.0 2.0
   49    69    75    76   0.21250  1.0 3.0
   75    69    49    39   0.86500  1.0 1.0
   75    69    49    39  -0.17500 -1.0 2.0
   75    69    49    39   0.20800  1.0 3.0
   75    69    49    44   0.86500  1.0 1.0
   75    69    49    44  -0.17500 -1.0 2.0
   75    69    49    44   0.20800  1.0 3.0
   75    69    49    50   0.23400  1.0 3.0
   71    66    69    70   0.15000  1.0 3.0
   71    66    69    49   0.56750  1.0 1.0
   71    66    69    49  -0.07550 -1.0 2.0
   71    66    69    49   0.20000  1.0 3.0
   71    66    69    75   0.86500  1.0 1.0
   71    66    69    75  -0.17500 -1.0 2.0
   71    66    69    75   0.20800  1.0 3.0
   67    63    66    53   0.86500  1.0 1.0
   67    63    66    53  -0.17500 -1.0 2.0
   67    63    66    53   0.20800  1.0 3.0
   67    63    66    69   0.86500  1.0 1.0
   67    63    66    69  -0.17500 -1.0 2.0
   67    63    66    69   0.20800  1.0 3.0
   67    63    66    71   0.86500  1.0 1.0
   67    63    66    71  -0.17500 -1.0 2.0
   67    63    66    71   0.20800  1.0 3.0
   65    59   -61    62   0.23400  1.0 3.0
   65    59   -61    63   0.02550  1.0 1.0
   65    59   -61    63  -0.02600 -1.0 2.0
   65    59   -61    63   1.20400  1.0 3.0
   65    61    63    64   0.23400  1.0 3.0
   65    61   -63    66   0.02550  1.0 1.0
   65    61   -63    66  -0.02600 -1.0 2.0
   65    61   -63    66   1.20400  1.0 3.0
   65    61    63    67   3.69350  1.0 1.0
   65    61    63    67  -1.82950 -1.0 2.0
   55    51    53    54   0.15000  1.0 3.0
   55    51    53    59   0.47050  1.0 1.0
   55    51    53    59   0.03900 -1.0 2.0
   55    51    53    59   0.20100  1.0 3.0
   55    51    53    66   0.56750  1.0 1.0
   55    51    53    66  -0.07550 -1.0 2.0
   55    51    53    66   0.20000  1.0 3.0
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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
END
