* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    146    235     439
    1     0 S   NP   _N1_     1    29.11400    93.82420   -26.37535
    2     1 S   H    _HN1     2     1.02794   122.42916  -100.76413
    3     1 S   H    _H1_     3     1.02948    86.47910     8.80165
    4     1 S   H    _H2_     4     1.02828    21.73087  -153.05121
    5     1 S   CT   _CA1     5     1.50128   113.45150   119.56305
    6     5 S   HC   _HA1     6     1.09575   105.16654    82.56281
    7     5 S   CO3  _C1_     7     1.53768   112.41156   -37.63777
    8     7 S   O2Z  _O11     8     1.26376   115.00587   -43.66675
    9     7 S   O2Z  _O12     9     1.26233   114.93937   135.30482
   10     5 S   CT   _CB1    10     1.53057   107.39999  -159.50047
   11    10 S   HC   HB11    11     1.09841   109.32511   -49.56438
   12    10 S   HC   HB12    12     1.09810   110.48609    67.02557
   13    10 S   CT   _CG1    13     1.53018   112.63379  -170.50249
   14    13 S   HC   HG11    14     1.09572   110.71234   -67.05979
   15    13 S   HC   HG12    15     1.09670   109.71754    52.18883
   16    13 S   C    _CD1    16     1.51816   112.00592   172.64811
   17    16 S   O    _OE1    17     1.22759   123.18439    11.37740
   18    16 S   N    _N2_    18     1.38637   111.82450  -168.62568
   19    18 S   H    _HN2    19     1.01581   119.04714     0.86863
   20    18 S   CT1  _CA2    20     1.46235   123.38649   176.76469
   21    20 S   HC   _HA2    21     1.09746   109.24107     7.32694
   22    20 S   C    _C2_    22     1.53706   108.97712  -108.14618
   23    22 S   O    _O2_    23     1.23087   122.21270  -150.14208
   24    20 S   CT   _CB2    32     1.53542   111.68060   129.24530
   25    24 S   HC   HB21    33     1.09462   109.35179    56.78234
   26    24 S   HC   HB22    34     1.09253   109.55545   175.52972
   27    22 S   N    _N3_    24     1.38313   113.92454    37.41917
   28    27 S   H    _HN3    25     1.01540   119.60411    -3.36697
   29    24 S   S    _SG2    35     1.82896   111.01172   -63.84272
   30    27 S   CT   _CA3    26     1.45277   123.27531   177.16634
   31    30 S   HC   HA31    27     1.09547   107.52584   -64.56156
   32    30 S   HC   HA32    28     1.09556   107.98157    51.89262
   33    29 S   CT   _C15    36     1.92566   102.61421  -170.32045
   34    30 S   CO3  _C3_    29     1.52971   114.04882   173.89783
   35    34 S   O2Z  _O31    30     1.26383   116.08383     0.07133
   36    34 S   O2Z  _O32    31     1.26425   114.41590  -179.88297
   37    33 S   CT   _C14    37     1.55080   109.03936    68.54777
   38    37 S   HC   _H6_    38     1.09303   113.18127   -54.73521
   39    33 S   CT   _C16    73     1.57995   108.68864   -52.03457
   40    39 S   OM   _O35    74     1.32584   110.39922   -61.31353
   41    39 S   HC   _H14    75     1.09767   107.43672   169.19345
   42    39 S   HC   _H15    76     1.10229   105.33995    66.02189
   43    37 S   CT   _C13    39     1.53629   104.94873    65.56534
   44    43 S   HC   _H5_    40     1.09635   109.99018   -86.61798
   45    37 S   OS   _O36    61     1.43097   109.07856  -171.74788
   46    43 S   CT   _C12    41     1.53345   104.71921    30.37253
   47    46 S   HC   _H12    42     1.08848   112.53072   129.79238
   48    46 S   HC   _H13    43     1.09799   108.58415  -115.15949
   49    43 S   OH   _O37    71     1.41445   113.19578   154.36121
   50    49 S   HO   _H16    72     0.97228   107.49443  -177.11921
   51    33 S   CT   _C11    44     1.61753   111.26040   173.31129
   52    51 S   CT   _C8_    45     1.63338   113.30508  -179.22722
   53    51 S   CT   _C17    67     1.54188   113.60335    51.36853
   54    53 S   HC   _H17    68     1.09205   112.21851    62.64908
   55    53 S   HC   _H18    69     1.09430   112.40389   -57.72586
   56    53 S   HC   _H19    70     1.09345   111.69131  -176.02822
   57    52 S   CT   _C7_    46     1.56707   108.73050    47.06696
   58    57 S   HC   _H3_    47     1.09605   108.11745    89.15820
   59    52 S   CT   _C18    62     1.58438   110.73118   164.51166
   60    59 S   HC   _H20    63     1.09295   111.67210    55.28953
   61    59 S   HC   _H21    64     1.09124   111.97377   -65.57309
   62    57 S   CM   _C6_    48     1.50192   116.04052  -153.80804
   63    62 S   HC   _H10    49     1.08911   114.80730  -170.23131
   64    59 S   OH   _O38    65     1.42480   112.71710   176.16477
   65    64 S   HO   _H22    66     0.97241   107.14221  -176.62182
   66    62 S   CM   _C5_    50     1.33819   126.98939     8.77252
   67    66 S   CO4  _C10    51     1.48524   118.86961     1.18167
   68    67 S   O    _O33    52     1.23225   119.84985  -171.16213
   69    66 S   CT   _C4_    57     1.49598   123.42620  -177.94595
   70    69 S   HC   _H7_    58     1.09492   110.50958   118.31750
   71    69 S   HC   _H8_    59     1.09515   111.98131    -1.65942
   72    69 S   HC   _H9_    60     1.09494   110.41830  -121.54277
   73    52 S   CT   _C9_    53     1.56439   112.74095   -76.55136
   74    73 S   HC   _H4_    54     1.08246   112.43349    43.95546
   75    73 S   OH   _O34    55     1.42819   111.14495   -74.37438
   76    75 S   HO   _H11    56     0.97324   107.19387   174.64006
  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  13   5   4   3
  22   2   1   1  19   8   9   3   2   1  11   7  11  13   5   4
   2   1  16  20   6   2   1   1  13   5   9   4   3   9   3   2
   1   9   9   4   4   2   1   1   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    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    46    51    52    45    53    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    46    47    48    51    52    57    73    45    59    53    54    55    56    49    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    46    47    48    51    52    57    58    62    45    53    49    50    39    40    41    42  
   43    44    46    51    57    45    49    39  
   40    41    42    43    45    46    51    52    53  
   41    42    51  
   42    51  
   51  
   44    46    47    48    51    52    57    45    53    49    50  
   46    47    48    51    45    49    50  
   59    49    46    51    52    57    58    62    63    66    73  
   47    48    51    52    57    73    59    53    54    55    56    49    50  
   48    51    52    53    49  
   51    52    53    49  
   50    51  
    0  
   52    57    58    62    67    73    74    75    59    60    61    64    53    54    55    56  
   57    58    62    63    66    67    68    73    74    75    76    59    60    61    64    65    53    54    55    56  
   54    55    56    57    59    73  
   55    56  
   56  
    0  
   58    62    63    66    67    73    74    75    69    59    60    61    64  
   62    63    66    73    59  
   60    61    64    65    62    67    73    74    75  
   61    64    65    73  
   64    65    73  
   63    66    67    68    73    69    70    71    72  
   66    67    69  
   65    73  
    0  
   67    68    73    74    75    69    70    71    72  
   68    73    74    75    76    69    70    71    72  
   73    74    75    69  
   70    71    72    73  
   71    72  
   72  
    0  
   74    75    76  
   75    76  
   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   0.167500   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   39   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.3810   1.2100   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    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   268.000  1.529
   33    51   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   268.000  1.529
   37    45   320.000  1.410
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    49   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   268.000  1.529
   51    53   268.000  1.529
   52    57   268.000  1.529
   52    73   268.000  1.529
   52    59   268.000  1.529
   57    58   340.000  1.090
   57    62   317.000  1.510
   57    45   320.000  1.410
   62    63   340.000  1.080
   62    66   549.000  1.340
   66    67   320.000  1.462
   66    69   317.000  1.510
   67    68   570.000  1.229
   67    73   317.000  1.522
   73    74   340.000  1.090
   73    75   320.000  1.410
   75    76   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   320.000  1.410
   64    65   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   49    50   553.000  0.945
   39    40   570.000  1.307
   39    41   340.000  1.090
   39    42   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  111.63000
   29    33    51    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    37    45    50.00000  109.50000
   33    51    46    58.35000  112.70000
   33    51    52    58.35000  112.70000
   33    51    53    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    37.50000  110.70000
   37    43    46    58.35000  112.70000
   37    43    49    50.00000  109.50000
   37    45    57    60.00000  109.50000
   43    37    38    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    51    58.35000  112.70000
   43    49    50    55.00000  108.50000
   46    43    44    37.50000  110.70000
   46    51    52    58.35000  112.70000
   46    51    53    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    33    37    58.35000  112.70000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    52    57    58.35000  112.70000
   51    52    73    58.35000  112.70000
   51    52    59    58.35000  112.70000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    56    37.50000  110.70000
   52    57    58    37.50000  110.70000
   52    57    62    70.00000  112.02700
   52    57    45    50.00000  109.50000
   52    73    67    63.00000  111.10000
   52    73    74    37.50000  110.70000
   52    73    75    50.00000  109.50000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    64    50.00000  109.50000
   57    62    63    35.00000  117.00000
   57    62    66    70.00000  124.00000
   62    57    58    35.00000  109.50000
   62    66    67    65.00000  118.96000
   62    66    69    70.00000  124.00000
   66    62    63    35.00000  120.00000
   66    67    68    80.00000  123.72100
   66    67    73    65.00000  118.62400
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    72    35.00000  109.50000
   67    73    74    35.00000  109.50000
   67    73    75    90.00000  109.61100
   73    52    57    58.35000  112.70000
   73    67    68    80.00000  120.40000
   73    75    76    55.00000  108.50000
   75    73    74    35.00000  109.50000
   69    66    67    65.00000  116.34900
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   45    37    38    35.00000  109.50000
   45    37    43    50.00000  109.50000
   45    57    58    35.00000  109.50000
   45    57    62    85.00000  110.90400
   59    52    57    58.35000  112.70000
   59    52    73    58.35000  112.70000
   59    64    65    55.00000  108.50000
   61    59    60    33.00000  107.80000
   64    59    60    35.00000  109.50000
   64    59    61    35.00000  109.50000
   53    51    52    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   49    43    44    35.00000  109.50000
   49    43    46    50.00000  109.50000
   39    33    37    58.35000  112.70000
   39    33    51    58.35000  112.70000
   41    39    40    45.00000  125.66300
   42    39    40    45.00000  125.66300
   42    39    41    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  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    37    38   0.15000  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    45   0.56750  1.0 1.0
   29    33    37    45  -0.07550 -1.0 2.0
   29    33    37    45   0.20000  1.0 3.0
   29    33    51    46   0.44750  1.0 1.0
   29    33    51    46  -0.17800 -1.0 2.0
   29    33    51    46   0.20200  1.0 3.0
   29    33    51    52   0.44750  1.0 1.0
   29    33    51    52  -0.17800 -1.0 2.0
   29    33    51    52   0.20200  1.0 3.0
   29    33    51    53   0.44750  1.0 1.0
   29    33    51    53  -0.17800 -1.0 2.0
   29    33    51    53   0.20200  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37   -43    46   0.56750  1.0 1.0
   33    37   -43    46  -0.07550 -1.0 2.0
   33    37   -43    46   0.20000  1.0 3.0
   33    37    43    49   0.86500  1.0 1.0
   33    37    43    49  -0.17500 -1.0 2.0
   33    37    43    49   0.20800  1.0 3.0
   33    37    45    57   0.06250  1.0 1.0
   33    37    45    57  -0.01100 -1.0 2.0
   33    37    45    57   0.28050  1.0 3.0
   33    51   -52    57   0.56750  1.0 1.0
   33    51   -52    57  -0.07550 -1.0 2.0
   33    51   -52    57   0.20000  1.0 3.0
   33    51    52    73   0.56750  1.0 1.0
   33    51    52    73  -0.07550 -1.0 2.0
   33    51    52    73   0.20000  1.0 3.0
   33    51    52    59   0.56750  1.0 1.0
   33    51    52    59  -0.07550 -1.0 2.0
   33    51    52    59   0.20000  1.0 3.0
   33    51    53    54   0.15000  1.0 3.0
   33    51    53    55   0.15000  1.0 3.0
   33    51    53    56   0.15000  1.0 3.0
   37    33   -51    46   0.56750  1.0 1.0
   37    33   -51    46  -0.07550 -1.0 2.0
   37    33   -51    46   0.20000  1.0 3.0
   37    33    51    52   0.56750  1.0 1.0
   37    33    51    52  -0.07550 -1.0 2.0
   37    33    51    52   0.20000  1.0 3.0
   37    33    51    53   0.56750  1.0 1.0
   37    33    51    53  -0.07550 -1.0 2.0
   37    33    51    53   0.20000  1.0 3.0
   37    33    39    40   0.62750  1.0 1.0
   37    33    39    40  -0.30950 -1.0 2.0
   37    33    39    40   0.27300  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    46    47   0.15000  1.0 3.0
   37    43    46    48   0.15000  1.0 3.0
   37    43   -46    51   0.56750  1.0 1.0
   37    43   -46    51  -0.07550 -1.0 2.0
   37    43   -46    51   0.20000  1.0 3.0
   37    43    49    50  -0.11600  1.0 1.0
   37    43    49    50  -0.09450 -1.0 2.0
   37    43    49    50   0.21250  1.0 3.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    46   0.15000  1.0 3.0
   38    37    43    49   0.23400  1.0 3.0
   38    37    45    57   0.37050  1.0 3.0
   43    37    45    57   0.06250  1.0 1.0
   43    37    45    57  -0.01100 -1.0 2.0
   43    37    45    57   0.28050  1.0 3.0
   43    46   -51    33   0.56750  1.0 1.0
   43    46   -51    33  -0.07550 -1.0 2.0
   43    46   -51    33   0.20000  1.0 3.0
   43    46    51    52   0.56750  1.0 1.0
   43    46    51    52  -0.07550 -1.0 2.0
   43    46    51    52   0.20000  1.0 3.0
   43    46    51    53   0.56750  1.0 1.0
   43    46    51    53  -0.07550 -1.0 2.0
   43    46    51    53   0.20000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    51   0.15000  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   46    43    49    50  -0.11600  1.0 1.0
   46    43    49    50  -0.09450 -1.0 2.0
   46    43    49    50   0.21250  1.0 3.0
   46    51    52    57   0.56750  1.0 1.0
   46    51    52    57  -0.07550 -1.0 2.0
   46    51    52    57   0.20000  1.0 3.0
   46    51    52    73   0.56750  1.0 1.0
   46    51    52    73  -0.07550 -1.0 2.0
   46    51    52    73   0.20000  1.0 3.0
   46    51    52    59   0.56750  1.0 1.0
   46    51    52    59  -0.07550 -1.0 2.0
   46    51    52    59   0.20000  1.0 3.0
   46    51    53    54   0.15000  1.0 3.0
   46    51    53    55   0.15000  1.0 3.0
   46    51    53    56   0.15000  1.0 3.0
   47    46    51    33   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
   48    46    51    33   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
   51    33    37    38   0.15000  1.0 3.0
   51    33   -37    43   0.56750  1.0 1.0
   51    33   -37    43  -0.07550 -1.0 2.0
   51    33   -37    43   0.20000  1.0 3.0
   51    33    37    45   0.62750  1.0 1.0
   51    33    37    45  -0.30950 -1.0 2.0
   51    33    37    45   0.27300  1.0 3.0
   51    33    39    40   0.62750  1.0 1.0
   51    33    39    40  -0.30950 -1.0 2.0
   51    33    39    40   0.27300  1.0 3.0
   51    33    39    41   0.15000  1.0 3.0
   51    33    39    42   0.15000  1.0 3.0
   51    52    57    58   0.15000  1.0 3.0
   51    52    57    62   0.34400  1.0 1.0
   51    52    57    62   0.09450 -1.0 2.0
   51    52    57    62   0.11100  1.0 3.0
   51    52   -57    45   0.62750  1.0 1.0
   51    52   -57    45  -0.30950 -1.0 2.0
   51    52   -57    45   0.27300  1.0 3.0
   51    52    73    67  -0.95700  1.0 1.0
   51    52    73    67  -0.18200 -1.0 2.0
   51    52    73    67   0.29450  1.0 3.0
   51    52    73    74   0.15000  1.0 3.0
   51    52    73    75   0.86500  1.0 1.0
   51    52    73    75  -0.17500 -1.0 2.0
   51    52    73    75   0.20800  1.0 3.0
   51    52    59    60   0.15000  1.0 3.0
   51    52    59    61   0.15000  1.0 3.0
   51    52    59    64   0.86500  1.0 1.0
   51    52    59    64  -0.17500 -1.0 2.0
   51    52    59    64   0.20800  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    56   0.15000  1.0 3.0
   52    57    62    63   0.00000  1.0 1.0
   52    57    62    66   0.09850  1.0 1.0
   52    57    62    66   0.15250 -1.0 2.0
   52    57    62    66  -0.50650  1.0 3.0
   52    57   -45    37   0.06250  1.0 1.0
   52    57   -45    37  -0.01100 -1.0 2.0
   52    57   -45    37   0.28050  1.0 3.0
   52    73    75    76  -0.11600  1.0 1.0
   52    73    75    76  -0.09450 -1.0 2.0
   52    73    75    76   0.21250  1.0 3.0
   52    59    64    65  -0.11600  1.0 1.0
   52    59    64    65  -0.09450 -1.0 2.0
   52    59    64    65   0.21250  1.0 3.0
   57    52    73    67  -0.95700  1.0 1.0
   57    52    73    67  -0.18200 -1.0 2.0
   57    52    73    67   0.29450  1.0 3.0
   57    52    73    74   0.15000  1.0 3.0
   57    52    73    75   0.86500  1.0 1.0
   57    52    73    75  -0.17500 -1.0 2.0
   57    52    73    75   0.20800  1.0 3.0
   57    52    59    60   0.15000  1.0 3.0
   57    52    59    61   0.15000  1.0 3.0
   57    52    59    64   0.86500  1.0 1.0
   57    52    59    64  -0.17500 -1.0 2.0
   57    52    59    64   0.20800  1.0 3.0
   57    62   -66    67   7.00000 -1.0 2.0
   57    62    66    69   7.00000 -1.0 2.0
   58    57    62    63   0.33100  1.0 3.0
   58    57    62    66   0.00000  1.0 1.0
   58    57    45    37   0.37050  1.0 3.0
   62    57    45    37  -0.77900  1.0 1.0
   62    57    45    37  -0.36900 -1.0 2.0
   62    57    45    37   0.40400  1.0 3.0
   62    66    67    68   1.00000 -1.0 2.0
   62    66    67    73  -0.33500  1.0 1.0
   62    66    67    73   1.06600 -1.0 2.0
   62    66    67    73  -0.14000  1.0 3.0
   62    66    69    70   0.00000  1.0 1.0
   62    66    69    71   0.00000  1.0 1.0
   62    66    69    72   0.00000  1.0 1.0
   63    62    66    67   7.00000 -1.0 2.0
   63    62    66    69   7.00000 -1.0 2.0
   66    67   -73    52   0.65300  1.0 1.0
   66    67   -73    52  -0.03850 -1.0 2.0
   66    67   -73    52   0.33900  1.0 3.0
   66    67    73    74   0.00000  1.0 1.0
   66    67    73    75   0.65300  1.0 1.0
   66    67    73    75  -0.03850 -1.0 2.0
   66    67    73    75   0.33900  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   67    73    75    76   0.91850  1.0 1.0
   67    73    75    76   0.57950  1.0 3.0
   68    67    73    52   0.30150 -1.0 2.0
   68    67    73    74   0.00000  1.0 1.0
   68    67    73    75   0.30150 -1.0 2.0
   73    52    57    58   0.15000  1.0 3.0
   73    52   -57    62   0.34400  1.0 1.0
   73    52   -57    62   0.09450 -1.0 2.0
   73    52   -57    62   0.11100  1.0 3.0
   73    52    57    45   0.62750  1.0 1.0
   73    52    57    45  -0.30950 -1.0 2.0
   73    52    57    45   0.27300  1.0 3.0
   73    52    59    60   0.15000  1.0 3.0
   73    52    59    61   0.15000  1.0 3.0
   73    52    59    64   0.86500  1.0 1.0
   73    52    59    64  -0.17500 -1.0 2.0
   73    52    59    64   0.20800  1.0 3.0
   74    73    75    76   0.19450  1.0 3.0
   69    66    67    68  -0.64400  1.0 1.0
   69    66    67    68   0.26850 -1.0 2.0
   69    66    67    73   0.25700  1.0 1.0
   69    66    67    73   0.66200 -1.0 2.0
   69    66    67    73   0.04450  1.0 3.0
   45    37    43    44   0.23400  1.0 3.0
   45    37    43    46   0.62750  1.0 1.0
   45    37    43    46  -0.30950 -1.0 2.0
   45    37    43    46   0.27300  1.0 3.0
   45    37    43    49   3.69350  1.0 1.0
   45    37    43    49  -1.82950 -1.0 2.0
   45    57    62    63   0.00000  1.0 1.0
   45    57    62    66   0.39000  1.0 1.0
   45    57    62    66  -0.05800 -1.0 2.0
   45    57    62    66  -0.55150  1.0 3.0
   59    52    57    58   0.15000  1.0 3.0
   59    52    57    62   0.34400  1.0 1.0
   59    52    57    62   0.09450 -1.0 2.0
   59    52    57    62   0.11100  1.0 3.0
   59    52    57    45   0.62750  1.0 1.0
   59    52    57    45  -0.30950 -1.0 2.0
   59    52    57    45   0.27300  1.0 3.0
   59    52    73    67  -0.95700  1.0 1.0
   59    52    73    67  -0.18200 -1.0 2.0
   59    52    73    67   0.29450  1.0 3.0
   59    52    73    74   0.15000  1.0 3.0
   59    52    73    75   0.86500  1.0 1.0
   59    52    73    75  -0.17500 -1.0 2.0
   59    52    73    75   0.20800  1.0 3.0
   60    59    64    65   0.19450  1.0 3.0
   61    59    64    65   0.19450  1.0 3.0
   53    51    52    57   0.56750  1.0 1.0
   53    51    52    57  -0.07550 -1.0 2.0
   53    51    52    57   0.20000  1.0 3.0
   53    51    52    73   0.56750  1.0 1.0
   53    51    52    73  -0.07550 -1.0 2.0
   53    51    52    73   0.20000  1.0 3.0
   53    51    52    59   0.56750  1.0 1.0
   53    51    52    59  -0.07550 -1.0 2.0
   53    51    52    59   0.20000  1.0 3.0
   49    43    46    47   0.23400  1.0 3.0
   49    43    46    48   0.23400  1.0 3.0
   49    43    46    51   0.86500  1.0 1.0
   49    43    46    51  -0.17500 -1.0 2.0
   49    43    46    51   0.20800  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  1.0 3.0
   39    33    37    45   0.62750  1.0 1.0
   39    33    37    45  -0.30950 -1.0 2.0
   39    33    37    45   0.27300  1.0 3.0
   39    33    51    46   0.56750  1.0 1.0
   39    33    51    46  -0.07550 -1.0 2.0
   39    33    51    46   0.20000  1.0 3.0
   39    33    51    52   0.56750  1.0 1.0
   39    33    51    52  -0.07550 -1.0 2.0
   39    33    51    52   0.20000  1.0 3.0
   39    33    51    53   0.56750  1.0 1.0
   39    33    51    53  -0.07550 -1.0 2.0
   39    33    51    53   0.20000  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
   57    63    62    66   1.10000 -1.0 2.0
   67    69    66    62   1.10000 -1.0 2.0
   66    73    67    68  10.50000 -1.0 2.0
END
