* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    148    245     438
    1     0 S   NP   _N1_     1    29.10275    92.62354   -21.64462
    2     1 S   H    _HN1     2     1.02776    99.59483   -67.61200
    3     1 S   H    _H1_     3     1.02965    94.78967    41.91481
    4     1 S   H    _H2_     4     1.02832    18.64611   174.05512
    5     1 S   CT   _CA1     5     1.50133   129.11990   163.13798
    6     5 S   HC   _HA1     6     1.09578   105.21614    62.89579
    7     5 S   CO3  _C1_     7     1.53775   112.41520   -57.23198
    8     7 S   O2Z  _O11     8     1.26352   115.00743   -42.94421
    9     7 S   O2Z  _O12     9     1.26244   114.91928   136.19688
   10     5 S   CT   _CB1    10     1.53089   107.39938  -179.26034
   11    10 S   HC   HB11    11     1.09824   109.23196   -51.27862
   12    10 S   HC   HB12    12     1.09827   110.44168    65.21749
   13    10 S   CT   _CG1    13     1.53022   112.74813  -172.45265
   14    13 S   HC   HG11    14     1.09594   110.36769   -64.54805
   15    13 S   HC   HG12    15     1.09645   110.07342    54.71072
   16    13 S   C    _CD1    16     1.51789   112.25055   174.92746
   17    16 S   O    _OE1    17     1.22778   123.19717    -4.82978
   18    16 S   N    _N2_    18     1.38710   111.72170   175.45072
   19    18 S   H    _HN2    19     1.01597   119.12935    -0.44980
   20    18 S   CT1  _CA2    20     1.46102   123.10131  -179.69868
   21    20 S   HC   _HA2    21     1.09549   108.76739   -19.01474
   22    20 S   C    _C2_    22     1.53402   108.61063  -133.80111
   23    22 S   O    _O2_    23     1.23009   122.23950  -147.14855
   24    20 S   CT   _CB2    32     1.53614   112.14187   103.61020
   25    24 S   HC   HB21    33     1.09653   109.45650    62.33411
   26    24 S   HC   HB22    34     1.09573   110.94095   179.67736
   27    22 S   N    _N3_    24     1.38520   113.30175    40.51988
   28    27 S   H    _HN3    25     1.01525   118.90423    -0.77430
   29    24 S   S    _SG2    35     1.82852   114.71280   -57.29188
   30    27 S   CT   _CA3    26     1.45434   123.37116   174.34386
   31    30 S   HC   HA31    27     1.09530   109.08840    26.76159
   32    30 S   HC   HA32    28     1.09487   107.14188   143.81694
   33    29 S   CT   _C18    36     1.84635    99.93123   -72.22399
   34    33 S   HC   _H3_    37     1.08647   104.95817   -75.93571
   35    33 S   HC   _H4_    38     1.08441   105.65842    39.44224
   36    30 S   CO3  _C3_    29     1.52978   113.32508   -96.54516
   37    36 S   O2Z  _O31    30     1.26392   115.57119   -39.06217
   38    36 S   O2Z  _O32    31     1.26378   114.85945   141.88249
   39    33 S   CT   _C15    39     1.55196   113.63083   161.05084
   40    39 S   C3T  _C9_    40     1.51880   109.28589    68.15255
   41    40 S   HC   _H28    41     1.07706   118.21451   -32.08206
   42    39 S   OH   _O22    75     1.43480   106.93897   -48.98700
   43    42 S   HO   _H42    76     0.97462   107.49809   -52.33357
   44    40 S   C3T  _C8_    42     1.48268   110.58410   113.27785
   45    44 S   HC   _H27    43     1.07752   121.98755  -143.93201
   46    44 S   CT   _C14    44     1.50714   111.29791     2.47978
   47    40 S   O3T  _O18    74     1.43321   116.84270   177.92510
   48    46 S   CT   _C7_    45     1.55040   111.98276  -114.13144
   49    48 S   HC   _H26    46     1.09456   110.41326   -63.00261
   50    39 S   CT   _C13    54     1.63028   118.85577  -173.09408
   51    46 S   OH   _O21    72     1.43262   107.36462   129.32379
   52    51 S   HO   _H41    73     0.97272   108.18083    51.63043
   53    48 S   CO4  _C4_    47     1.50471   110.27571    60.48852
   54    53 S   O    _O16    48     1.21971   126.33977   -90.26289
   55    50 S   CT   _C17    55     1.56883   108.07897   141.94172
   56    55 S   HC   _H34    56     1.09418   112.50933    53.94664
   57    55 S   HC   _H35    57     1.09630   111.09690   -67.11540
   58    55 S   HC   _H36    58     1.09645   111.53147   174.31207
   59    53 S   OS   _O17    49     1.37273   108.32625    87.83110
   60    59 S   CT   _C10    50     1.43671   108.25886     2.65579
   61    60 S   HC   _H29    51     1.09403   108.08248   148.57916
   62    60 S   CT   _C11    52     1.54560   111.01024   -91.20383
   63    62 S   HC   _H30    53     1.09775   105.29682   176.64999
   64    48 S   CT   _C12    61     1.54130   113.42091   170.99117
   65    62 S   OH   _O19    59     1.42185   111.38248   -71.62736
   66    65 S   HO   _H39    60     0.97259   108.12353   -52.79035
   67    64 S   CM   _C6_    62     1.53597   117.55181   168.08731
   68    64 S   OH   _O20    70     1.42254   112.28658    43.82690
   69    68 S   HO   _H40    71     0.97289   107.86628    48.07287
   70    67 S   CM   _C5_    63     1.34486   124.99031    -4.37305
   71    70 S   HC   _H24    64     1.08619   121.08485  -179.23895
   72    70 S   HC   _H25    65     1.08298   123.20679     0.82282
   73    67 S   CT   _C16    66     1.51184   116.40442   177.32951
   74    73 S   HC   _H31    67     1.09354   110.96593   -65.22282
   75    73 S   HC   _H32    68     1.09448   110.80982    55.59415
   76    73 S   HC   _H33    69     1.09576   112.12195   175.08339
  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
  13   5   4   2   1   1  19  12   6   7   1  12   5  20   3  17
   9  15   5   1   8   3   7   3   2   1   8  11   6   6   3  11
   1   1   9   3   1   6   2   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    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    50    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    46    62    50    55    47    42    43  
   35    39    40    50    42  
   39    40    50    42  
   37    38  
   38  
    0  
   40    41    44    45    46    48    60    62    63    50    55    56    57    58    65    51    47    42    43  
   41    44    45    46    48    62    50    55    51    47    42    43  
   44    45    46    50    47    42  
   43    44    46    47    50    55    62  
   50  
   45    46    48    49    53    62    50    55    64    51    52    47  
   46    48    50    51    47  
   48    49    53    54    59    60    62    63    50    55    56    57    58    65    64    67    68    51    52    47  
   48    50    51  
   49    53    54    59    60    61    62    50    55    64    67    70    73    68    69    51    52  
   53    54    59    60    50    64    67    68    51  
   55    56    57    58    65    66    64    51    52    53    59    60    61    62    63  
   52    53    55    62    64  
    0  
   54    59    60    61    62    64    67    68  
   59    60    64  
   56    57    58    65    60    62    63  
   57    58    62  
   58    62  
   62  
   60    61    62    63    65    64    67    68  
   61    62    63    65    66    64    67    70    73    68    69  
   62    63    65    64    67    68  
   63    65    66    64    67    68  
   65    66    64  
   67    70    71    72    73    74    75    76    68    69    65  
   66  
    0  
   70    71    72    73    74    75    76    68    69  
   69    70    73  
    0  
   71    72    73    74    75    76  
   72    73  
   73  
   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   0.047500   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   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    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   275.000  1.510
   39    50   268.000  1.529
   39    42   320.000  1.410
   40    41   340.000  1.088
   40    44   260.000  1.509
   40    47   335.000  1.432
   44    45   340.000  1.088
   44    46   275.000  1.510
   44    47   335.000  1.432
   46    48   268.000  1.529
   46    50   268.000  1.529
   46    51   320.000  1.410
   48    49   340.000  1.090
   48    53   317.000  1.522
   48    64   268.000  1.529
   53    54   570.000  1.229
   53    59   214.000  1.327
   59    60   320.000  1.410
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    64   268.000  1.529
   62    63   340.000  1.090
   62    50   268.000  1.529
   62    65   320.000  1.410
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   65    66   553.000  0.945
   64    67   317.000  1.510
   64    68   320.000  1.410
   67    70   549.000  1.340
   67    73   317.000  1.510
   70    71   340.000  1.080
   70    72   340.000  1.080
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   68    69   553.000  0.945
   51    52   553.000  0.945
   42    43   553.000  0.945
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    70.00000  112.37300
   33    39    50    58.35000  112.70000
   33    39    42    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    40    41    40.00000  115.04500
   39    40    44    60.00000  120.94000
   39    40    47    80.00000  116.47100
   39    50    46    58.35000  112.70000
   39    50    62    58.35000  112.70000
   39    50    55    58.35000  112.70000
   39    42    43    55.00000  108.50000
   40    44    45    37.50000  117.20000
   40    44    46    60.00000  120.94000
   40    44    47    15.00000   60.43100
   40    47    44    15.00000   59.14900
   44    40    41    37.50000  117.20000
   44    46    48    70.00000  112.37300
   44    46    50    70.00000  112.37300
   44    46    51    50.00000  109.50000
   46    44    45    40.00000  115.04500
   46    48    49    37.50000  110.70000
   46    48    53    63.00000  111.10000
   46    48    64    58.35000  112.70000
   46    50    62    58.35000  112.70000
   46    50    55    58.35000  112.70000
   46    51    52    55.00000  108.50000
   48    53    54    80.00000  120.40000
   48    53    59    81.00000  111.40000
   48    64    60    58.35000  112.70000
   48    64    67    70.00000  112.02700
   48    64    68    50.00000  109.50000
   53    48    49    35.00000  109.50000
   53    59    60    83.00000  116.90000
   59    53    54    83.00000  123.40000
   59    60    61    35.00000  109.50000
   59    60    62    50.00000  109.50000
   59    60    64    50.00000  109.50000
   60    62    63    37.50000  110.70000
   60    62    50    58.35000  112.70000
   60    62    65    50.00000  109.50000
   60    64    67    70.00000  112.02700
   60    64    68    50.00000  109.50000
   62    60    61    37.50000  110.70000
   62    50    55    58.35000  112.70000
   62    65    66    55.00000  108.50000
   50    39    40    70.00000  112.37300
   50    46    48    58.35000  112.70000
   50    62    63    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    58    37.50000  110.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   65    62    63    35.00000  109.50000
   65    62    50    50.00000  109.50000
   64    48    49    37.50000  110.70000
   64    48    53    63.00000  111.10000
   64    60    61    37.50000  110.70000
   64    60    62    58.35000  112.70000
   64    67    70    70.00000  124.00000
   64    67    73    65.00000  117.92700
   64    68    69    55.00000  108.50000
   67    70    71    35.00000  120.00000
   67    70    72    35.00000  120.00000
   67    73    74    35.00000  109.50000
   67    73    75    35.00000  109.50000
   67    73    76    35.00000  109.50000
   72    70    71    35.00000  117.00000
   73    67    70    70.00000  124.00000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   68    64    67    90.00000  110.39200
   51    46    48    50.00000  109.50000
   51    46    50    50.00000  109.50000
   47    40    41    50.00000  114.27700
   47    40    44    15.00000   60.43100
   47    44    45    50.00000  114.27700
   47    44    46    80.00000  116.47100
   42    39    40    50.00000  109.50000
   42    39    50    50.00000  109.50000
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   0.44750  1.0 1.0
   29    33    39    40  -0.17800 -1.0 2.0
   29    33    39    40   0.20200  1.0 3.0
   29    33    39    50   0.44750  1.0 1.0
   29    33    39    50  -0.17800 -1.0 2.0
   29    33    39    50   0.20200  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    40    41   0.15000  1.0 3.0
   33    39    40    44   0.07850  1.0 1.0
   33    39    40    44  -0.03950 -1.0 2.0
   33    39    40    44   0.67350  1.0 3.0
   33    39    40    47   0.02550  1.0 1.0
   33    39    40    47  -0.02600 -1.0 2.0
   33    39    40    47   1.20400  1.0 3.0
   33    39    50    46   0.56750  1.0 1.0
   33    39    50    46  -0.07550 -1.0 2.0
   33    39    50    46   0.20000  1.0 3.0
   33    39    50    62   0.56750  1.0 1.0
   33    39    50    62  -0.07550 -1.0 2.0
   33    39    50    62   0.20000  1.0 3.0
   33    39    50    55   0.56750  1.0 1.0
   33    39    50    55  -0.07550 -1.0 2.0
   33    39    50    55   0.20000  1.0 3.0
   33    39    42    43  -0.11600  1.0 1.0
   33    39    42    43  -0.09450 -1.0 2.0
   33    39    42    43   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    50   0.15000  1.0 3.0
   34    33    39    42   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    50   0.15000  1.0 3.0
   35    33    39    42   0.23400  1.0 3.0
   39    40    44    45   0.15000  1.0 3.0
   39    40   -44    46   0.56750  1.0 1.0
   39    40   -44    46  -0.07550 -1.0 2.0
   39    40   -44    46   0.20000  1.0 3.0
   39    40   -44    47   0.02550  1.0 1.0
   39    40   -44    47  -0.02600 -1.0 2.0
   39    40   -44    47   1.20400  1.0 3.0
   39    40   -47    44   0.06250  1.0 1.0
   39    40   -47    44  -0.01100 -1.0 2.0
   39    40   -47    44   0.28050  1.0 3.0
   39    50    55    56   0.15000  1.0 3.0
   39    50    55    57   0.15000  1.0 3.0
   39    50    55    58   0.15000  1.0 3.0
   40    39   -50    46   0.47050  1.0 1.0
   40    39   -50    46   0.03900 -1.0 2.0
   40    39   -50    46   0.20100  1.0 3.0
   40    39    50    62   0.47050  1.0 1.0
   40    39    50    62   0.03900 -1.0 2.0
   40    39    50    62   0.20100  1.0 3.0
   40    39    50    55   0.47050  1.0 1.0
   40    39    50    55   0.03900 -1.0 2.0
   40    39    50    55   0.20100  1.0 3.0
   40    39    42    43  -0.11600  1.0 1.0
   40    39    42    43  -0.09450 -1.0 2.0
   40    39    42    43   0.21250  1.0 3.0
   40    44    46    48   0.07850  1.0 1.0
   40    44    46    48  -0.03950 -1.0 2.0
   40    44    46    48   0.67350  1.0 3.0
   40    44   -46    50   0.07850  1.0 1.0
   40    44   -46    50  -0.03950 -1.0 2.0
   40    44   -46    50   0.67350  1.0 3.0
   40    44    46    51   0.86500  1.0 1.0
   40    44    46    51  -0.17500 -1.0 2.0
   40    44    46    51   0.20800  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40   -44    47   0.23400  1.0 3.0
   41    40   -47    44   0.36800  1.0 3.0
   44    46    48    49   0.15000  1.0 3.0
   44    46    48    53  -0.95700  1.0 1.0
   44    46    48    53  -0.18200 -1.0 2.0
   44    46    48    53   0.29450  1.0 3.0
   44    46    48    64   0.47050  1.0 1.0
   44    46    48    64   0.03900 -1.0 2.0
   44    46    48    64   0.20100  1.0 3.0
   44    46   -50    39   0.47050  1.0 1.0
   44    46   -50    39   0.03900 -1.0 2.0
   44    46   -50    39   0.20100  1.0 3.0
   44    46    50    62   0.47050  1.0 1.0
   44    46    50    62   0.03900 -1.0 2.0
   44    46    50    62   0.20100  1.0 3.0
   44    46    50    55   0.47050  1.0 1.0
   44    46    50    55   0.03900 -1.0 2.0
   44    46    50    55   0.20100  1.0 3.0
   44    46    51    52  -0.11600  1.0 1.0
   44    46    51    52  -0.09450 -1.0 2.0
   44    46    51    52   0.21250  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    46    51   0.23400  1.0 3.0
   45    44   -47    40   0.36800  1.0 3.0
   46    44   -47    40   0.06250  1.0 1.0
   46    44   -47    40  -0.01100 -1.0 2.0
   46    44   -47    40   0.28050  1.0 3.0
   46    48    53    54   0.30150 -1.0 2.0
   46    48    53    59   0.36750  1.0 3.0
   46    48    64    60   0.56750  1.0 1.0
   46    48    64    60  -0.07550 -1.0 2.0
   46    48    64    60   0.20000  1.0 3.0
   46    48    64    67   0.34400  1.0 1.0
   46    48    64    67   0.09450 -1.0 2.0
   46    48    64    67   0.11100  1.0 3.0
   46    48    64    68   0.86500  1.0 1.0
   46    48    64    68  -0.17500 -1.0 2.0
   46    48    64    68   0.20800  1.0 3.0
   46    50    55    56   0.15000  1.0 3.0
   46    50    55    57   0.15000  1.0 3.0
   46    50    55    58   0.15000  1.0 3.0
   48    46    50    39   0.56750  1.0 1.0
   48    46    50    39  -0.07550 -1.0 2.0
   48    46    50    39   0.20000  1.0 3.0
   48    46    50    62   0.56750  1.0 1.0
   48    46    50    62  -0.07550 -1.0 2.0
   48    46    50    62   0.20000  1.0 3.0
   48    46    50    55   0.56750  1.0 1.0
   48    46    50    55  -0.07550 -1.0 2.0
   48    46    50    55   0.20000  1.0 3.0
   48    46    51    52  -0.11600  1.0 1.0
   48    46    51    52  -0.09450 -1.0 2.0
   48    46    51    52   0.21250  1.0 3.0
   48    53   -59    60   1.63150  1.0 1.0
   48    53   -59    60   2.92000 -1.0 2.0
   48    64    67    70   0.09850  1.0 1.0
   48    64    67    70   0.15250 -1.0 2.0
   48    64    67    70  -0.50650  1.0 3.0
   48    64    67    73   0.46850  1.0 1.0
   48    64    67    73   0.08550 -1.0 2.0
   48    64    67    73   0.09800  1.0 3.0
   48    64    68    69  -0.11600  1.0 1.0
   48    64    68    69  -0.09450 -1.0 2.0
   48    64    68    69   0.21250  1.0 3.0
   49    48    53    54   0.00000  1.0 1.0
   49    48    53    59   0.00000  1.0 1.0
   49    48    64    60   0.15000  1.0 3.0
   49    48    64    67   0.15000  1.0 3.0
   49    48    64    68   0.23400  1.0 3.0
   53    48   -64    60  -0.95700  1.0 1.0
   53    48   -64    60  -0.18200 -1.0 2.0
   53    48   -64    60   0.29450  1.0 3.0
   53    48    64    67  -0.98800  1.0 1.0
   53    48    64    67   0.48800 -1.0 2.0
   53    48    64    67   0.76800  1.0 3.0
   53    48    64    68  -0.09450  1.0 1.0
   53    48    64    68  -1.12950 -1.0 2.0
   53    48    64    68   0.54000  1.0 3.0
   53    59    60    61   0.08050  1.0 3.0
   53    59    60    62  -0.25900  1.0 1.0
   53    59    60    62  -0.47000 -1.0 2.0
   53    59    60    62   0.11750  1.0 3.0
   53    59   -60    64  -0.25900  1.0 1.0
   53    59   -60    64  -0.47000 -1.0 2.0
   53    59   -60    64   0.11750  1.0 3.0
   54    53    59    60   3.00000 -1.0 2.0
   59    60    62    63   0.23400  1.0 3.0
   59    60    62    50   0.62750  1.0 1.0
   59    60    62    50  -0.30950 -1.0 2.0
   59    60    62    50   0.27300  1.0 3.0
   59    60    62    65   3.69350  1.0 1.0
   59    60    62    65  -1.82950 -1.0 2.0
   59    60   -64    48   0.62750  1.0 1.0
   59    60   -64    48  -0.30950 -1.0 2.0
   59    60   -64    48   0.27300  1.0 3.0
   59    60    64    67   0.61850  1.0 1.0
   59    60    64    67  -0.22750 -1.0 2.0
   59    60    64    67   0.15300  1.0 3.0
   59    60    64    68   3.69350  1.0 1.0
   59    60    64    68  -1.82950 -1.0 2.0
   60    62    50    39   0.56750  1.0 1.0
   60    62    50    39  -0.07550 -1.0 2.0
   60    62    50    39   0.20000  1.0 3.0
   60    62   -50    46   0.56750  1.0 1.0
   60    62   -50    46  -0.07550 -1.0 2.0
   60    62   -50    46   0.20000  1.0 3.0
   60    62    50    55   0.56750  1.0 1.0
   60    62    50    55  -0.07550 -1.0 2.0
   60    62    50    55   0.20000  1.0 3.0
   60    62    65    66  -0.11600  1.0 1.0
   60    62    65    66  -0.09450 -1.0 2.0
   60    62    65    66   0.21250  1.0 3.0
   60    64    67    70   0.09850  1.0 1.0
   60    64    67    70   0.15250 -1.0 2.0
   60    64    67    70  -0.50650  1.0 3.0
   60    64    67    73   0.46850  1.0 1.0
   60    64    67    73   0.08550 -1.0 2.0
   60    64    67    73   0.09800  1.0 3.0
   60    64    68    69  -0.11600  1.0 1.0
   60    64    68    69  -0.09450 -1.0 2.0
   60    64    68    69   0.21250  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    50   0.15000  1.0 3.0
   61    60    62    65   0.23400  1.0 3.0
   61    60    64    48   0.15000  1.0 3.0
   61    60    64    67   0.15000  1.0 3.0
   61    60    64    68   0.23400  1.0 3.0
   62    60   -64    48   0.56750  1.0 1.0
   62    60   -64    48  -0.07550 -1.0 2.0
   62    60   -64    48   0.20000  1.0 3.0
   62    60    64    67   0.34400  1.0 1.0
   62    60    64    67   0.09450 -1.0 2.0
   62    60    64    67   0.11100  1.0 3.0
   62    60    64    68   0.86500  1.0 1.0
   62    60    64    68  -0.17500 -1.0 2.0
   62    60    64    68   0.20800  1.0 3.0
   62    50    55    56   0.15000  1.0 3.0
   62    50    55    57   0.15000  1.0 3.0
   62    50    55    58   0.15000  1.0 3.0
   63    62    50    39   0.15000  1.0 3.0
   63    62    50    46   0.15000  1.0 3.0
   63    62    50    55   0.15000  1.0 3.0
   63    62    65    66   0.19450  1.0 3.0
   50    39    40    41   0.15000  1.0 3.0
   50    39   -40    44   0.07850  1.0 1.0
   50    39   -40    44  -0.03950 -1.0 2.0
   50    39   -40    44   0.67350  1.0 3.0
   50    39    40    47   0.02550  1.0 1.0
   50    39    40    47  -0.02600 -1.0 2.0
   50    39    40    47   1.20400  1.0 3.0
   50    39    42    43  -0.11600  1.0 1.0
   50    39    42    43  -0.09450 -1.0 2.0
   50    39    42    43   0.21250  1.0 3.0
   50    46    48    49   0.15000  1.0 3.0
   50    46    48    53  -0.95700  1.0 1.0
   50    46    48    53  -0.18200 -1.0 2.0
   50    46    48    53   0.29450  1.0 3.0
   50    46    48    64   0.56750  1.0 1.0
   50    46    48    64  -0.07550 -1.0 2.0
   50    46    48    64   0.20000  1.0 3.0
   50    46    51    52  -0.11600  1.0 1.0
   50    46    51    52  -0.09450 -1.0 2.0
   50    46    51    52   0.21250  1.0 3.0
   50    62    65    66  -0.11600  1.0 1.0
   50    62    65    66  -0.09450 -1.0 2.0
   50    62    65    66   0.21250  1.0 3.0
   65    62    50    39   0.86500  1.0 1.0
   65    62    50    39  -0.17500 -1.0 2.0
   65    62    50    39   0.20800  1.0 3.0
   65    62    50    46   0.86500  1.0 1.0
   65    62    50    46  -0.17500 -1.0 2.0
   65    62    50    46   0.20800  1.0 3.0
   65    62    50    55   0.86500  1.0 1.0
   65    62    50    55  -0.17500 -1.0 2.0
   65    62    50    55   0.20800  1.0 3.0
   64    48    53    54   0.30150 -1.0 2.0
   64    48   -53    59   0.36750  1.0 3.0
   64    60    62    63   0.15000  1.0 3.0
   64    60   -62    50   0.56750  1.0 1.0
   64    60   -62    50  -0.07550 -1.0 2.0
   64    60   -62    50   0.20000  1.0 3.0
   64    60    62    65   0.86500  1.0 1.0
   64    60    62    65  -0.17500 -1.0 2.0
   64    60    62    65   0.20800  1.0 3.0
   64    67    70    71   7.00000 -1.0 2.0
   64    67    70    72   7.00000 -1.0 2.0
   64    67    73    74   0.34800  1.0 3.0
   64    67    73    75   0.34800  1.0 3.0
   64    67    73    76   0.34800  1.0 3.0
   67    64    68    69  -0.07800  1.0 1.0
   67    64    68    69  -0.21500 -1.0 2.0
   67    64    68    69  -0.03150  1.0 3.0
   70    67    73    74   0.00000  1.0 1.0
   70    67    73    75   0.00000  1.0 1.0
   70    67    73    76   0.00000  1.0 1.0
   73    67    70    71   7.00000 -1.0 2.0
   73    67    70    72   7.00000 -1.0 2.0
   68    64    67    70   0.67800  1.0 1.0
   68    64    67    70   0.47050 -1.0 2.0
   68    64    67    70  -0.62500  1.0 3.0
   68    64    67    73   0.18000  1.0 1.0
   68    64    67    73   0.16450 -1.0 2.0
   68    64    67    73   0.04450  1.0 3.0
   51    46    48    49   0.23400  1.0 3.0
   51    46    48    53  -0.09450  1.0 1.0
   51    46    48    53  -1.12950 -1.0 2.0
   51    46    48    53   0.54000  1.0 3.0
   51    46    48    64   0.86500  1.0 1.0
   51    46    48    64  -0.17500 -1.0 2.0
   51    46    48    64   0.20800  1.0 3.0
   51    46    50    39   0.86500  1.0 1.0
   51    46    50    39  -0.17500 -1.0 2.0
   51    46    50    39   0.20800  1.0 3.0
   51    46    50    62   0.86500  1.0 1.0
   51    46    50    62  -0.17500 -1.0 2.0
   51    46    50    62   0.20800  1.0 3.0
   51    46    50    55   0.86500  1.0 1.0
   51    46    50    55  -0.17500 -1.0 2.0
   51    46    50    55   0.20800  1.0 3.0
   47    40   -44    45   0.23400  1.0 3.0
   47    40   -44    46   0.02550  1.0 1.0
   47    40   -44    46  -0.02600 -1.0 2.0
   47    40   -44    46   1.20400  1.0 3.0
   47    44    46    48   0.02550  1.0 1.0
   47    44    46    48  -0.02600 -1.0 2.0
   47    44    46    48   1.20400  1.0 3.0
   47    44   -46    50   0.02550  1.0 1.0
   47    44   -46    50  -0.02600 -1.0 2.0
   47    44   -46    50   1.20400  1.0 3.0
   47    44    46    51   3.69350  1.0 1.0
   47    44    46    51  -1.82950 -1.0 2.0
   42    39    40    41   0.23400  1.0 3.0
   42    39    40    44   0.86500  1.0 1.0
   42    39    40    44  -0.17500 -1.0 2.0
   42    39    40    44   0.20800  1.0 3.0
   42    39    40    47   3.69350  1.0 1.0
   42    39    40    47  -1.82950 -1.0 2.0
   42    39    50    46   0.86500  1.0 1.0
   42    39    50    46  -0.17500 -1.0 2.0
   42    39    50    46   0.20800  1.0 3.0
   42    39    50    62   0.86500  1.0 1.0
   42    39    50    62  -0.17500 -1.0 2.0
   42    39    50    62   0.20800  1.0 3.0
   42    39    50    55   0.86500  1.0 1.0
   42    39    50    55  -0.17500 -1.0 2.0
   42    39    50    55   0.20800  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
   48    59    53    54  10.50000 -1.0 2.0
   64    73    67    70  15.00000 -1.0 2.0
   71    72    70    67  15.00000 -1.0 2.0
END
