* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    148    241     449
    1     0 S   NP   _N1_     1    29.47342    94.56819   -17.68469
    2     1 S   H    _HN1     2     1.02868   106.07398    31.26830
    3     1 S   H    _H1_     3     1.02963    44.94101   129.85934
    4     1 S   H    _H2_     4     1.02794    65.57659   -71.79495
    5     1 S   CT   _CA1     5     1.50521   140.65908  -167.38471
    6     5 S   HC   _HA1     6     1.09692   104.66122    21.38555
    7     5 S   CO3  _C1_     7     1.54543   110.82472   -94.44428
    8     7 S   O2Z  _O11     8     1.26082   116.75635  -117.61478
    9     7 S   O2Z  _O12     9     1.26558   113.72057    61.24137
   10     5 S   CT   _CB1    10     1.53094   106.96500   137.29112
   11    10 S   HC   HB11    11     1.09829   109.94541   -44.10096
   12    10 S   HC   HB12    12     1.09762   110.10923    72.42358
   13    10 S   CT   _CG1    13     1.53052   112.40478  -164.82487
   14    13 S   HC   HG11    14     1.09483   110.67730   -52.55333
   15    13 S   HC   HG12    15     1.09620   110.15166    66.21194
   16    13 S   C    _CD1    16     1.51794   111.74236  -174.01090
   17    16 S   O    _OE1    17     1.22745   122.94445   -24.07985
   18    16 S   N    _N2_    18     1.38491   111.86670   157.05110
   19    18 S   H    _HN2    19     1.01575   118.98713     1.59102
   20    18 S   CT1  _CA2    20     1.46227   123.67221  -176.13477
   21    20 S   HC   _HA2    21     1.09727   109.42447   -19.84784
   22    20 S   C    _C2_    22     1.53407   107.97223  -135.58874
   23    22 S   O    _O2_    23     1.22991   122.38963  -144.37140
   24    20 S   CT   _CB2    32     1.53619   110.89743   102.56306
   25    24 S   HC   HB21    33     1.09294   109.20416    51.41520
   26    24 S   HC   HB22    34     1.09500   110.69581   169.36662
   27    22 S   N    _N3_    24     1.38557   113.21113    42.93735
   28    27 S   H    _HN3    25     1.01541   118.88761    -0.46267
   29    24 S   S    _SG2    35     1.83109   111.47076   -72.44959
   30    27 S   CT   _CA3    26     1.45448   123.41827   175.12681
   31    30 S   HC   HA31    27     1.09525   109.19538    25.05470
   32    30 S   HC   HA32    28     1.09494   107.12836   142.05658
   33    29 S   CT   _C15    36     1.89845   103.19893   136.68718
   34    30 S   CO3  _C3_    29     1.52932   113.15952   -98.39199
   35    34 S   O2Z  _O31    30     1.26397   115.42631   -43.79433
   36    34 S   O2Z  _O32    31     1.26358   114.96573   137.14280
   37    33 S   CT   _C14    37     1.53711   112.32900    49.67613
   38    37 S   HC   _H7_    38     1.09241   113.87794   -53.34226
   39    33 S   CT   _C16    74     1.54337   104.30592   -71.55084
   40    39 S   HC   _H13    75     1.09231   112.61142   169.45266
   41    39 S   HC   _H14    76     1.09496   111.75981    52.73763
   42    37 S   CT   _C13    39     1.53375   104.37357    66.78923
   43    42 S   HC   _H6_    40     1.09653   109.74045   -84.96858
   44    37 S   OS   _O36    60     1.43092   108.66272  -170.23288
   45    39 S   OH   _O35    77     1.42080   111.49385   -67.64477
   46    45 S   HO   _H15    78     0.97627   107.57316   179.17433
   47    42 S   CT   _C12    41     1.53995   104.89417    33.61341
   48    47 S   HC   _H5_    42     1.08621   110.92108   122.43359
   49    42 S   OH   _O37    72     1.41665   112.21772   156.72838
   50    49 S   HO   _H16    73     0.97237   107.65301  -178.69824
   51    33 S   CT   _C11    43     1.61468   111.76437   157.82683
   52    47 S   OH   _O38    70     1.42726   109.37317  -122.60839
   53    52 S   HO   _H17    71     0.97234   107.82497   -60.35408
   54    51 S   CT   _C8_    44     1.64114   112.40159   175.84678
   55    51 S   CT   _C17    66     1.54260   113.35210    48.25445
   56    55 S   HC   _H18    67     1.09223   111.93697    62.38713
   57    55 S   HC   _H19    68     1.09359   113.09250   -57.54119
   58    55 S   HC   _H20    69     1.09332   111.60643  -176.39826
   59    54 S   CT   _C7_    45     1.56598   108.18132    48.53937
   60    59 S   HC   _H3_    46     1.09635   108.25742    86.66007
   61    54 S   CT   _C18    61     1.58688   110.65796   166.25630
   62    61 S   HC   _H21    62     1.09299   111.51886    55.66189
   63    61 S   HC   _H22    63     1.09024   112.39428   -65.24149
   64    59 S   CM   _C6_    47     1.50132   115.87587  -155.73843
   65    64 S   HC   _H11    48     1.08914   114.85835  -168.95821
   66    61 S   OH   _O39    64     1.42455   112.78324   176.41657
   67    66 S   HO   _H23    65     0.97254   107.19402  -176.15000
   68    64 S   CM   _C5_    49     1.33844   126.92096    10.27661
   69    68 S   CO4  _C10    50     1.48582   118.92270     1.03760
   70    69 S   O    _O33    51     1.23210   119.91156  -172.02787
   71    68 S   CT   _C4_    56     1.49611   123.40943  -178.14512
   72    71 S   HC   _H8_    57     1.09492   110.50238   118.46646
   73    71 S   HC   _H9_    58     1.09515   111.98041    -1.50402
   74    71 S   HC   _H10    59     1.09494   110.42133  -121.39313
   75    54 S   CT   _C9_    52     1.56546   113.33983   -74.88483
   76    75 S   HC   _H4_    53     1.08169   112.61999    44.32441
   77    75 S   OH   _O34    54     1.42736   111.17747   -73.97286
   78    77 S   HO   _H12    55     0.97342   107.35388   177.20341
  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
  23   2   1   1  19   8  10   4   3  12   7  11   2   1  14   6
   3   1  18   3   1  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    42    47    51    54    44    55    39    40    41    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    47    48    51    54    59    75    44    61    55    56    57    58    52    49    39    40    41    45    46  
   35    36  
   36  
    0  
   38    42    43    47    48    51    54    59    60    64    44    55    52    49    50    39    40    41    45  
   42    43    47    51    59    44    49    39  
   40    41    45    46    42    44    47    51    54    55  
   41    45    46    51  
   45    46    51  
   43    47    48    51    54    59    44    55    52    53    49    50  
   47    48    51    44    52    49    50  
   61    49    47    51    54    59    60    64    65    68    75  
   46    51  
    0  
   48    51    54    59    75    61    55    56    57    58    52    53    49    50  
   51    54    55    52    53    49  
   50    51    52  
    0  
   54    59    60    64    69    75    76    77    61    62    63    66    55    56    57    58    52    53  
   53    54    55  
    0  
   59    60    64    65    68    69    70    75    76    77    78    61    62    63    66    67    55    56    57    58  
   56    57    58    59    61    75  
   57    58  
   58  
    0  
   60    64    65    68    69    75    76    77    71    61    62    63    66  
   64    65    68    75    61  
   62    63    66    67    64    69    75    76    77  
   63    66    67    75  
   66    67    75  
   65    68    69    70    75    71    72    73    74  
   68    69    71  
   67    75  
    0  
   69    70    75    76    77    71    72    73    74  
   70    75    76    77    78    71    72    73    74  
   75    76    77    71  
   72    73    74    75  
   73    74  
   74  
    0  
   76    77    78  
   77    78  
   78  
    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   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   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    42   268.000  1.529
   37    44   320.000  1.410
   42    43   340.000  1.090
   42    47   268.000  1.529
   42    49   320.000  1.410
   47    48   340.000  1.090
   47    51   268.000  1.529
   47    52   320.000  1.410
   51    54   268.000  1.529
   51    55   268.000  1.529
   54    59   268.000  1.529
   54    75   268.000  1.529
   54    61   268.000  1.529
   59    60   340.000  1.090
   59    64   317.000  1.510
   59    44   320.000  1.410
   64    65   340.000  1.080
   64    68   549.000  1.340
   68    69   320.000  1.462
   68    71   317.000  1.510
   69    70   570.000  1.229
   69    75   317.000  1.522
   75    76   340.000  1.090
   75    77   320.000  1.410
   77    78   553.000  0.945
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   320.000  1.410
   66    67   553.000  0.945
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   52    53   553.000  0.945
   49    50   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    45   320.000  1.410
   45    46   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    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    42    58.35000  112.70000
   33    37    44    50.00000  109.50000
   33    51    47    58.35000  112.70000
   33    51    54    58.35000  112.70000
   33    51    55    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    45    50.00000  109.50000
   37    42    43    37.50000  110.70000
   37    42    47    58.35000  112.70000
   37    42    49    50.00000  109.50000
   37    44    59    60.00000  109.50000
   42    37    38    37.50000  110.70000
   42    47    48    37.50000  110.70000
   42    47    51    58.35000  112.70000
   42    47    52    50.00000  109.50000
   42    49    50    55.00000  108.50000
   47    42    43    37.50000  110.70000
   47    51    54    58.35000  112.70000
   47    51    55    58.35000  112.70000
   47    52    53    55.00000  108.50000
   51    33    37    58.35000  112.70000
   51    47    48    37.50000  110.70000
   51    54    59    58.35000  112.70000
   51    54    75    58.35000  112.70000
   51    54    61    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
   54    59    60    37.50000  110.70000
   54    59    64    70.00000  112.02700
   54    59    44    50.00000  109.50000
   54    75    69    63.00000  111.10000
   54    75    76    37.50000  110.70000
   54    75    77    50.00000  109.50000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    66    50.00000  109.50000
   59    64    65    35.00000  117.00000
   59    64    68    70.00000  124.00000
   64    59    60    35.00000  109.50000
   64    68    69    65.00000  118.96000
   64    68    71    70.00000  124.00000
   68    64    65    35.00000  120.00000
   68    69    70    80.00000  123.72100
   68    69    75    65.00000  118.62400
   68    71    72    35.00000  109.50000
   68    71    73    35.00000  109.50000
   68    71    74    35.00000  109.50000
   69    75    76    35.00000  109.50000
   69    75    77    90.00000  109.61100
   75    54    59    58.35000  112.70000
   75    69    70    80.00000  120.40000
   75    77    78    55.00000  108.50000
   77    75    76    35.00000  109.50000
   71    68    69    65.00000  116.34900
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    42    50.00000  109.50000
   44    59    60    35.00000  109.50000
   44    59    64    85.00000  110.90400
   61    54    59    58.35000  112.70000
   61    54    75    58.35000  112.70000
   61    66    67    55.00000  108.50000
   63    61    62    33.00000  107.80000
   66    61    62    35.00000  109.50000
   66    61    63    35.00000  109.50000
   55    51    54    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
   52    47    48    35.00000  109.50000
   52    47    51    50.00000  109.50000
   49    42    43    35.00000  109.50000
   49    42    47    50.00000  109.50000
   39    33    37    58.35000  112.70000
   39    33    51    58.35000  112.70000
   39    45    46    55.00000  108.50000
   41    39    40    33.00000  107.80000
   45    39    40    35.00000  109.50000
   45    39    41    35.00000  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    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    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    37    44   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    51    47   0.44750  1.0 1.0
   29    33    51    47  -0.17800 -1.0 2.0
   29    33    51    47   0.20200  1.0 3.0
   29    33    51    54   0.44750  1.0 1.0
   29    33    51    54  -0.17800 -1.0 2.0
   29    33    51    54   0.20200  1.0 3.0
   29    33    51    55   0.44750  1.0 1.0
   29    33    51    55  -0.17800 -1.0 2.0
   29    33    51    55   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   33    37    42    43   0.15000  1.0 3.0
   33    37   -42    47   0.56750  1.0 1.0
   33    37   -42    47  -0.07550 -1.0 2.0
   33    37   -42    47   0.20000  1.0 3.0
   33    37    42    49   0.86500  1.0 1.0
   33    37    42    49  -0.17500 -1.0 2.0
   33    37    42    49   0.20800  1.0 3.0
   33    37    44    59   0.06250  1.0 1.0
   33    37    44    59  -0.01100 -1.0 2.0
   33    37    44    59   0.28050  1.0 3.0
   33    51   -54    59   0.56750  1.0 1.0
   33    51   -54    59  -0.07550 -1.0 2.0
   33    51   -54    59   0.20000  1.0 3.0
   33    51    54    75   0.56750  1.0 1.0
   33    51    54    75  -0.07550 -1.0 2.0
   33    51    54    75   0.20000  1.0 3.0
   33    51    54    61   0.56750  1.0 1.0
   33    51    54    61  -0.07550 -1.0 2.0
   33    51    54    61   0.20000  1.0 3.0
   33    51    55    56   0.15000  1.0 3.0
   33    51    55    57   0.15000  1.0 3.0
   33    51    55    58   0.15000  1.0 3.0
   33    39    45    46  -0.11600  1.0 1.0
   33    39    45    46  -0.09450 -1.0 2.0
   33    39    45    46   0.21250  1.0 3.0
   37    33   -51    47   0.56750  1.0 1.0
   37    33   -51    47  -0.07550 -1.0 2.0
   37    33   -51    47   0.20000  1.0 3.0
   37    33    51    54   0.56750  1.0 1.0
   37    33    51    54  -0.07550 -1.0 2.0
   37    33    51    54   0.20000  1.0 3.0
   37    33    51    55   0.56750  1.0 1.0
   37    33    51    55  -0.07550 -1.0 2.0
   37    33    51    55   0.20000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    45   0.86500  1.0 1.0
   37    33    39    45  -0.17500 -1.0 2.0
   37    33    39    45   0.20800  1.0 3.0
   37    42    47    48   0.15000  1.0 3.0
   37    42   -47    51   0.56750  1.0 1.0
   37    42   -47    51  -0.07550 -1.0 2.0
   37    42   -47    51   0.20000  1.0 3.0
   37    42    47    52   0.86500  1.0 1.0
   37    42    47    52  -0.17500 -1.0 2.0
   37    42    47    52   0.20800  1.0 3.0
   37    42    49    50  -0.11600  1.0 1.0
   37    42    49    50  -0.09450 -1.0 2.0
   37    42    49    50   0.21250  1.0 3.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    47   0.15000  1.0 3.0
   38    37    42    49   0.23400  1.0 3.0
   38    37    44    59   0.37050  1.0 3.0
   42    37    44    59   0.06250  1.0 1.0
   42    37    44    59  -0.01100 -1.0 2.0
   42    37    44    59   0.28050  1.0 3.0
   42    47   -51    33   0.56750  1.0 1.0
   42    47   -51    33  -0.07550 -1.0 2.0
   42    47   -51    33   0.20000  1.0 3.0
   42    47    51    54   0.56750  1.0 1.0
   42    47    51    54  -0.07550 -1.0 2.0
   42    47    51    54   0.20000  1.0 3.0
   42    47    51    55   0.56750  1.0 1.0
   42    47    51    55  -0.07550 -1.0 2.0
   42    47    51    55   0.20000  1.0 3.0
   42    47    52    53  -0.11600  1.0 1.0
   42    47    52    53  -0.09450 -1.0 2.0
   42    47    52    53   0.21250  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    51   0.15000  1.0 3.0
   43    42    47    52   0.23400  1.0 3.0
   43    42    49    50   0.19450  1.0 3.0
   47    42    49    50  -0.11600  1.0 1.0
   47    42    49    50  -0.09450 -1.0 2.0
   47    42    49    50   0.21250  1.0 3.0
   47    51    54    59   0.56750  1.0 1.0
   47    51    54    59  -0.07550 -1.0 2.0
   47    51    54    59   0.20000  1.0 3.0
   47    51    54    75   0.56750  1.0 1.0
   47    51    54    75  -0.07550 -1.0 2.0
   47    51    54    75   0.20000  1.0 3.0
   47    51    54    61   0.56750  1.0 1.0
   47    51    54    61  -0.07550 -1.0 2.0
   47    51    54    61   0.20000  1.0 3.0
   47    51    55    56   0.15000  1.0 3.0
   47    51    55    57   0.15000  1.0 3.0
   47    51    55    58   0.15000  1.0 3.0
   48    47    51    33   0.15000  1.0 3.0
   48    47    51    54   0.15000  1.0 3.0
   48    47    51    55   0.15000  1.0 3.0
   48    47    52    53   0.19450  1.0 3.0
   51    33    37    38   0.15000  1.0 3.0
   51    33   -37    42   0.56750  1.0 1.0
   51    33   -37    42  -0.07550 -1.0 2.0
   51    33   -37    42   0.20000  1.0 3.0
   51    33    37    44   0.62750  1.0 1.0
   51    33    37    44  -0.30950 -1.0 2.0
   51    33    37    44   0.27300  1.0 3.0
   51    33    39    40   0.15000  1.0 3.0
   51    33    39    41   0.15000  1.0 3.0
   51    33    39    45   0.86500  1.0 1.0
   51    33    39    45  -0.17500 -1.0 2.0
   51    33    39    45   0.20800  1.0 3.0
   51    47    52    53  -0.11600  1.0 1.0
   51    47    52    53  -0.09450 -1.0 2.0
   51    47    52    53   0.21250  1.0 3.0
   51    54    59    60   0.15000  1.0 3.0
   51    54    59    64   0.34400  1.0 1.0
   51    54    59    64   0.09450 -1.0 2.0
   51    54    59    64   0.11100  1.0 3.0
   51    54   -59    44   0.62750  1.0 1.0
   51    54   -59    44  -0.30950 -1.0 2.0
   51    54   -59    44   0.27300  1.0 3.0
   51    54    75    69  -0.95700  1.0 1.0
   51    54    75    69  -0.18200 -1.0 2.0
   51    54    75    69   0.29450  1.0 3.0
   51    54    75    76   0.15000  1.0 3.0
   51    54    75    77   0.86500  1.0 1.0
   51    54    75    77  -0.17500 -1.0 2.0
   51    54    75    77   0.20800  1.0 3.0
   51    54    61    62   0.15000  1.0 3.0
   51    54    61    63   0.15000  1.0 3.0
   51    54    61    66   0.86500  1.0 1.0
   51    54    61    66  -0.17500 -1.0 2.0
   51    54    61    66   0.20800  1.0 3.0
   54    51    55    56   0.15000  1.0 3.0
   54    51    55    57   0.15000  1.0 3.0
   54    51    55    58   0.15000  1.0 3.0
   54    59    64    65   0.00000  1.0 1.0
   54    59    64    68   0.09850  1.0 1.0
   54    59    64    68   0.15250 -1.0 2.0
   54    59    64    68  -0.50650  1.0 3.0
   54    59   -44    37   0.06250  1.0 1.0
   54    59   -44    37  -0.01100 -1.0 2.0
   54    59   -44    37   0.28050  1.0 3.0
   54    75    77    78  -0.11600  1.0 1.0
   54    75    77    78  -0.09450 -1.0 2.0
   54    75    77    78   0.21250  1.0 3.0
   54    61    66    67  -0.11600  1.0 1.0
   54    61    66    67  -0.09450 -1.0 2.0
   54    61    66    67   0.21250  1.0 3.0
   59    54    75    69  -0.95700  1.0 1.0
   59    54    75    69  -0.18200 -1.0 2.0
   59    54    75    69   0.29450  1.0 3.0
   59    54    75    76   0.15000  1.0 3.0
   59    54    75    77   0.86500  1.0 1.0
   59    54    75    77  -0.17500 -1.0 2.0
   59    54    75    77   0.20800  1.0 3.0
   59    54    61    62   0.15000  1.0 3.0
   59    54    61    63   0.15000  1.0 3.0
   59    54    61    66   0.86500  1.0 1.0
   59    54    61    66  -0.17500 -1.0 2.0
   59    54    61    66   0.20800  1.0 3.0
   59    64   -68    69   7.00000 -1.0 2.0
   59    64    68    71   7.00000 -1.0 2.0
   60    59    64    65   0.33100  1.0 3.0
   60    59    64    68   0.00000  1.0 1.0
   60    59    44    37   0.37050  1.0 3.0
   64    59    44    37  -0.77900  1.0 1.0
   64    59    44    37  -0.36900 -1.0 2.0
   64    59    44    37   0.40400  1.0 3.0
   64    68    69    70   1.00000 -1.0 2.0
   64    68    69    75  -0.33500  1.0 1.0
   64    68    69    75   1.06600 -1.0 2.0
   64    68    69    75  -0.14000  1.0 3.0
   64    68    71    72   0.00000  1.0 1.0
   64    68    71    73   0.00000  1.0 1.0
   64    68    71    74   0.00000  1.0 1.0
   65    64    68    69   7.00000 -1.0 2.0
   65    64    68    71   7.00000 -1.0 2.0
   68    69   -75    54   0.65300  1.0 1.0
   68    69   -75    54  -0.03850 -1.0 2.0
   68    69   -75    54   0.33900  1.0 3.0
   68    69    75    76   0.00000  1.0 1.0
   68    69    75    77   0.65300  1.0 1.0
   68    69    75    77  -0.03850 -1.0 2.0
   68    69    75    77   0.33900  1.0 3.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    73   0.15000  1.0 3.0
   69    68    71    74   0.15000  1.0 3.0
   69    75    77    78   0.91850  1.0 1.0
   69    75    77    78   0.57950  1.0 3.0
   70    69    75    54   0.30150 -1.0 2.0
   70    69    75    76   0.00000  1.0 1.0
   70    69    75    77   0.30150 -1.0 2.0
   75    54    59    60   0.15000  1.0 3.0
   75    54   -59    64   0.34400  1.0 1.0
   75    54   -59    64   0.09450 -1.0 2.0
   75    54   -59    64   0.11100  1.0 3.0
   75    54    59    44   0.62750  1.0 1.0
   75    54    59    44  -0.30950 -1.0 2.0
   75    54    59    44   0.27300  1.0 3.0
   75    54    61    62   0.15000  1.0 3.0
   75    54    61    63   0.15000  1.0 3.0
   75    54    61    66   0.86500  1.0 1.0
   75    54    61    66  -0.17500 -1.0 2.0
   75    54    61    66   0.20800  1.0 3.0
   76    75    77    78   0.19450  1.0 3.0
   71    68    69    70  -0.64400  1.0 1.0
   71    68    69    70   0.26850 -1.0 2.0
   71    68    69    75   0.25700  1.0 1.0
   71    68    69    75   0.66200 -1.0 2.0
   71    68    69    75   0.04450  1.0 3.0
   44    37    42    43   0.23400  1.0 3.0
   44    37    42    47   0.62750  1.0 1.0
   44    37    42    47  -0.30950 -1.0 2.0
   44    37    42    47   0.27300  1.0 3.0
   44    37    42    49   3.69350  1.0 1.0
   44    37    42    49  -1.82950 -1.0 2.0
   44    59    64    65   0.00000  1.0 1.0
   44    59    64    68   0.39000  1.0 1.0
   44    59    64    68  -0.05800 -1.0 2.0
   44    59    64    68  -0.55150  1.0 3.0
   61    54    59    60   0.15000  1.0 3.0
   61    54    59    64   0.34400  1.0 1.0
   61    54    59    64   0.09450 -1.0 2.0
   61    54    59    64   0.11100  1.0 3.0
   61    54    59    44   0.62750  1.0 1.0
   61    54    59    44  -0.30950 -1.0 2.0
   61    54    59    44   0.27300  1.0 3.0
   61    54    75    69  -0.95700  1.0 1.0
   61    54    75    69  -0.18200 -1.0 2.0
   61    54    75    69   0.29450  1.0 3.0
   61    54    75    76   0.15000  1.0 3.0
   61    54    75    77   0.86500  1.0 1.0
   61    54    75    77  -0.17500 -1.0 2.0
   61    54    75    77   0.20800  1.0 3.0
   62    61    66    67   0.19450  1.0 3.0
   63    61    66    67   0.19450  1.0 3.0
   55    51    54    59   0.56750  1.0 1.0
   55    51    54    59  -0.07550 -1.0 2.0
   55    51    54    59   0.20000  1.0 3.0
   55    51    54    75   0.56750  1.0 1.0
   55    51    54    75  -0.07550 -1.0 2.0
   55    51    54    75   0.20000  1.0 3.0
   55    51    54    61   0.56750  1.0 1.0
   55    51    54    61  -0.07550 -1.0 2.0
   55    51    54    61   0.20000  1.0 3.0
   52    47    51    33   0.86500  1.0 1.0
   52    47    51    33  -0.17500 -1.0 2.0
   52    47    51    33   0.20800  1.0 3.0
   52    47    51    54   0.86500  1.0 1.0
   52    47    51    54  -0.17500 -1.0 2.0
   52    47    51    54   0.20800  1.0 3.0
   52    47    51    55   0.86500  1.0 1.0
   52    47    51    55  -0.17500 -1.0 2.0
   52    47    51    55   0.20800  1.0 3.0
   49    42    47    48   0.23400  1.0 3.0
   49    42    47    51   0.86500  1.0 1.0
   49    42    47    51  -0.17500 -1.0 2.0
   49    42    47    51   0.20800  1.0 3.0
   49    42    47    52   3.75450  1.0 1.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    42   0.56750  1.0 1.0
   39    33    37    42  -0.07550 -1.0 2.0
   39    33    37    42   0.20000  1.0 3.0
   39    33    37    44   0.62750  1.0 1.0
   39    33    37    44  -0.30950 -1.0 2.0
   39    33    37    44   0.27300  1.0 3.0
   39    33    51    47   0.56750  1.0 1.0
   39    33    51    47  -0.07550 -1.0 2.0
   39    33    51    47   0.20000  1.0 3.0
   39    33    51    54   0.56750  1.0 1.0
   39    33    51    54  -0.07550 -1.0 2.0
   39    33    51    54   0.20000  1.0 3.0
   39    33    51    55   0.56750  1.0 1.0
   39    33    51    55  -0.07550 -1.0 2.0
   39    33    51    55   0.20000  1.0 3.0
   40    39    45    46   0.19450  1.0 3.0
   41    39    45    46   0.19450  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
   59    65    64    68   1.10000 -1.0 2.0
   69    71    68    64   1.10000 -1.0 2.0
   68    75    69    70  10.50000 -1.0 2.0
END
