* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    157    242     470
    1     0 S   NP   _N1_     1    28.80510    91.83611   -24.84357
    2     1 S   H    _HN1     2     1.02832    11.13558  -140.49922
    3     1 S   H    _H1_     3     1.02774   115.20066   -89.39972
    4     1 S   H    _H2_     4     1.02963    96.29767    24.30750
    5     1 S   CT   _CA1     5     1.50158   113.11818   139.58592
    6     5 S   HC   _HA1     6     1.09582   105.16879    70.78739
    7     5 S   CO3  _C1_     7     1.53750   112.41379   -49.25034
    8     7 S   O2Z  _O11     8     1.26358   114.97681   -42.15571
    9     7 S   O2Z  _O12     9     1.26242   114.90896   136.80749
   10     5 S   CT   _CB1    10     1.53081   107.38470  -171.41483
   11    10 S   HC   HB11    11     1.09828   109.12852   -51.21305
   12    10 S   HC   HB12    12     1.09816   110.47626    65.26896
   13    10 S   CT   _CG1    13     1.53030   112.78629  -172.36041
   14    13 S   HC   HG11    14     1.09595   110.45161   -67.09428
   15    13 S   HC   HG12    15     1.09665   109.93597    52.13053
   16    13 S   C    _CD1    16     1.51857   112.30602   172.30714
   17    16 S   O    _OE1    17     1.22734   123.24314     0.24228
   18    16 S   N    _N2_    18     1.38646   111.70556  -179.19521
   19    18 S   H    _HN2    19     1.01575   119.00511     0.49614
   20    18 S   CT1  _CA2    20     1.46186   123.38326   178.05902
   21    20 S   HC   _HA2    21     1.09743   109.41894    -0.58551
   22    20 S   C    _C2_    22     1.53566   108.39865  -116.08078
   23    22 S   O    _O2_    23     1.23050   122.20843  -144.48484
   24    20 S   CT   _CB2    32     1.53496   111.78350   121.49088
   25    24 S   HC   HB21    33     1.09479   109.63424    56.15547
   26    24 S   HC   HB22    34     1.09341   109.37887   174.99351
   27    22 S   N    _N3_    24     1.38495   113.56128    42.81769
   28    27 S   H    _HN3    25     1.01486   118.99682    -0.35054
   29    24 S   S    _SG2    35     1.82841   111.41315   -64.80620
   30    27 S   CT   _CA3    26     1.45450   123.43019   175.25340
   31    30 S   HC   HA31    27     1.09523   109.24750    24.72587
   32    30 S   HC   HA32    28     1.09497   107.12944   141.71993
   33    29 S   CT   _C5_    36     1.87389   102.01348  -174.89163
   34    30 S   CO3  _C3_    29     1.52914   113.05830   -98.75986
   35    34 S   O2Z  _O31    30     1.26404   115.36893   -45.75055
   36    34 S   O2Z  _O32    31     1.26351   115.00722   135.16180
   37    33 S   CM   _C10    37     1.56631   106.93204  -176.33094
   38    33 S   CT   _C4_    81     1.54948   109.55983   -54.16662
   39    38 S   HC   _H9_    82     1.09634   111.97444    76.35588
   40    38 S   HC   _H10    83     1.09457   113.15883   -43.60361
   41    38 S   HC   _H11    84     1.09653   111.07185  -164.94925
   42    37 S   CT   _C9_    38     1.55951   116.19141  -102.49049
   43    37 S   CMA  _C11    78     1.36361   122.59193    77.47204
   44    43 S   OM   _O33    79     1.26007   134.26871    -1.10659
   45    43 S   HC   _H16    80     1.08662   113.52947  -179.64282
   46    42 S   CT   _C8_    39     1.55648   111.83921   -47.54447
   47    46 S   HC   _H14    40     1.09959   110.37558   -99.35141
   48    46 S   HC   _H15    41     1.09931   109.46783   146.74783
   49    42 S   CT   _C12    70     1.55563   115.07663  -167.97559
   50    49 S   HC   _H17    71     1.09733   110.90151   175.15232
   51    49 S   HC   _H18    72     1.09632   111.46685    55.85741
   52    49 S   HC   _H19    73     1.09618   112.06642   -65.94545
   53    42 S   CT   _C13    74     1.54947   109.04036    74.47316
   54    53 S   HC   _H20    75     1.09685   111.05028   175.39262
   55    53 S   HC   _H21    76     1.09670   110.99113    56.19749
   56    53 S   HC   _H22    77     1.09167   113.28311   -64.79260
   57    46 S   CT   _C7_    42     1.52949   116.18907    21.72167
   58    57 S   HC   _H3_    43     1.09727   108.51493   -88.35422
   59    33 S   CT   _C6_    44     1.54967   108.44782    62.73867
   60    59 S   HC   _H12    45     1.09700   112.64541    35.61824
   61    59 S   HC   _H13    46     1.09646   110.82135   -80.02782
   62    57 S   OS1  _O34    47     1.43188   107.37817   153.37687
   63    62 S   CO1  _C14    48     1.43337   113.75117   152.84733
   64    63 S   HC   _H4_    49     1.09692   109.25290    47.74870
   65    63 S   CT   _C15    50     1.53348   107.36693   167.13331
   66    65 S   HC   _H5_    51     1.09681   110.00340    52.27744
   67    65 S   CT   _C16    52     1.53090   111.21035   174.24357
   68    67 S   HC   _H6_    53     1.09669   110.23252    73.69524
   69    65 S   OH5  _O39    68     1.42958   109.95890   -64.45324
   70    69 S   HO   _H28    69     0.97231   108.23098   -60.09181
   71    67 S   CT   _C17    54     1.53190   111.35414   -48.97929
   72    71 S   HC   _H7_    55     1.09704   109.06732   -71.40473
   73    67 S   OH5  _O38    66     1.42940   109.64126  -170.43497
   74    73 S   HO   _H27    67     0.97241   108.14721    60.63826
   75    71 S   CT   _C18    56     1.53230   110.64855    49.82937
   76    75 S   HC   _H8_    57     1.09837   110.93518    64.06765
   77    71 S   OH5  _O37    64     1.42595   109.69256   171.74165
   78    77 S   HO   _H26    65     0.97254   108.22712   -57.71561
   79    63 S   OS1  _O35    58     1.42896   110.39636   -73.17095
   80    75 S   CT   _C19    59     1.52975   111.57002  -175.11605
   81    80 S   HC   _H23    60     1.09502   111.01043    69.71935
   82    80 S   HC   _H24    61     1.09394   111.58650   -52.72233
   83    80 S   OH5  _O36    62     1.42499   108.99893  -171.62893
   84    83 S   HO   _H25    63     0.97238   107.05633  -177.76682
  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  12   5   4   3
  18   2   1   1  23   9   3   2   1  18   6   1   1  17   7   6
   8   3   2   1   4   2   1   1   9   5   4   2   1   8  13   6
  12   7  13   7   4   1  12   7   3   1   9   6   3   1   4   4
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    59    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    57    59    60    61    43    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    46    57    58    59    60    61    62    49    53    43    44    45    38    39    40    41  
   35    36  
   36  
    0  
   42    46    47    48    57    59    60    61    49    50    51    52    53    54    55    56    43    44    45    38    39    40    41  
   39    40    41    42    43    57    59    60    61  
   40    41    59  
   41    59  
   59  
   46    47    48    57    58    59    62    49    50    51    52    53    54    55    56    43    44    45  
   44    45    46    49    53    59  
   45  
    0  
   47    48    57    58    59    60    61    62    63    49    50    51    52    53    54    55    56  
   48    57    58    59    62    49    53  
   57    58    59    62    49    53  
   50    51    52    53    54    55    56    57  
   51    52    53  
   52    53  
   53  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64    65    79  
   59    60    61    62    63  
   60    61    62    63  
   61    62  
   62  
   63    64    65    66    67    75    79    69  
   64    65    66    67    68    71    75    76    79    80    73    69    70  
   65    66    67    75    79    69  
   66    67    68    71    72    75    79    77    73    74    69    70  
   67    68    71    79    73    69    70  
   68    71    72    75    76    79    80    77    78    73    74    69    70  
   71    72    75    77    73    74    69  
   70    71    73    79  
    0  
   72    75    76    79    80    81    82    83    77    78    73    74  
   75    76    79    80    77    78    73  
   74    75    77  
    0  
   76    79    80    81    82    83    84    77    78  
   79    80    81    82    83    77  
   78    79    80  
    0  
   80    81    82    83  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.170000   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  -0.120000   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   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
   79   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   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   317.000  1.510
   33    59   268.000  1.529
   33    38   268.000  1.529
   37    42   317.000  1.510
   37    43   465.000  1.376
   42    46   268.000  1.529
   42    49   268.000  1.529
   42    53   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    57   268.000  1.529
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    62   335.000  1.422
   59    60   340.000  1.090
   59    61   340.000  1.090
   62    63   370.000  1.399
   63    64   360.000  1.097
   63    65   255.000  1.525
   63    79   370.000  1.399
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    69   355.000  1.421
   67    68   340.000  1.090
   67    71   268.000  1.529
   67    73   355.000  1.421
   71    72   340.000  1.090
   71    75   268.000  1.529
   71    77   355.000  1.421
   75    76   340.000  1.090
   75    79   335.000  1.422
   75    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   355.000  1.421
   83    84   580.000  0.967
   77    78   580.000  0.967
   73    74   580.000  0.967
   69    70   580.000  0.967
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   43    44   745.000  1.250
   43    45   335.000  1.111
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    59    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    42    65.00000  117.92700
   33    37    43    70.00000  124.00000
   33    59    57    58.35000  112.70000
   33    59    60    37.50000  110.70000
   33    59    61    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    46    70.00000  112.02700
   37    42    49    70.00000  112.02700
   37    42    53    70.00000  112.02700
   37    43    44    65.00000  137.10300
   37    43    45    45.00000  105.30000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    57    58.35000  112.70000
   42    49    50    37.50000  110.70000
   42    49    51    37.50000  110.70000
   42    49    52    37.50000  110.70000
   42    53    54    37.50000  110.70000
   42    53    55    37.50000  110.70000
   42    53    56    37.50000  110.70000
   46    57    58    37.50000  110.70000
   46    57    59    58.35000  112.70000
   46    57    62    95.00000  107.88500
   48    46    47    33.00000  107.80000
   57    46    47    37.50000  110.70000
   57    46    48    37.50000  110.70000
   57    59    60    37.50000  110.70000
   57    59    61    37.50000  110.70000
   57    62    63    90.00000  112.10700
   59    33    37    70.00000  112.02700
   59    57    58    37.50000  110.70000
   61    59    60    33.00000  107.80000
   62    57    58    55.00000  108.98800
   62    57    59    95.00000  107.88500
   62    63    64    60.00000  105.75400
   62    63    65    90.00000  109.70700
   62    63    79   110.00000  113.16000
   63    65    66    45.00000  109.54000
   63    65    67    70.00000  111.10000
   63    65    69    90.00000  109.42000
   63    79    75    90.00000  112.10700
   65    63    64    45.00000  111.65000
   65    67    68    37.50000  110.70000
   65    67    71    58.35000  112.70000
   65    67    73    90.00000  111.45300
   65    69    70    65.00000  108.53500
   67    65    66    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    75    58.35000  112.70000
   67    71    77    90.00000  111.45300
   67    73    74    65.00000  108.53500
   71    67    68    37.50000  110.70000
   71    75    76    37.50000  110.70000
   71    75    79    95.00000  107.88500
   71    75    80    58.35000  112.70000
   71    77    78    65.00000  108.53500
   75    71    72    37.50000  110.70000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    83    90.00000  111.45300
   79    63    64    60.00000  105.75400
   79    63    65    90.00000  109.70700
   79    75    76    55.00000  108.98800
   80    75    76    37.50000  110.70000
   80    75    79    95.00000  107.88500
   80    83    84    65.00000  108.53500
   82    80    81    33.00000  107.80000
   83    80    81    60.00000  109.39000
   83    80    82    60.00000  109.39000
   77    71    72    60.00000  109.39000
   77    71    75    90.00000  111.45300
   73    67    68    60.00000  109.39000
   73    67    71    90.00000  111.45300
   69    65    66    60.00000  109.39000
   69    65    67    90.00000  111.45300
   49    42    46    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   53    42    46    58.35000  112.70000
   53    42    49    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
   43    37    42    70.00000  124.00000
   45    43    44    50.00000  124.16400
   38    33    37    70.00000  112.02700
   38    33    59    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    37    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    59    57   0.44750  1.0 1.0
   29    33    59    57  -0.17800 -1.0 2.0
   29    33    59    57   0.20200  1.0 3.0
   29    33    59    60   0.15000  1.0 3.0
   29    33    59    61   0.15000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    46   0.46850  1.0 1.0
   33    37    42    46   0.08550 -1.0 2.0
   33    37    42    46   0.09800  1.0 3.0
   33    37    42    49   0.46850  1.0 1.0
   33    37    42    49   0.08550 -1.0 2.0
   33    37    42    49   0.09800  1.0 3.0
   33    37    42    53   0.46850  1.0 1.0
   33    37    42    53   0.08550 -1.0 2.0
   33    37    42    53   0.09800  1.0 3.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37    43    45   7.00000 -1.0 2.0
   37    33    59    57   0.34400  1.0 1.0
   37    33    59    57   0.09450 -1.0 2.0
   37    33    59    57   0.11100  1.0 3.0
   37    33    59    60   0.15000  1.0 3.0
   37    33    59    61   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42    46    47   0.15000  1.0 3.0
   37    42    46    48   0.15000  1.0 3.0
   37    42   -46    57   0.34400  1.0 1.0
   37    42   -46    57   0.09450 -1.0 2.0
   37    42   -46    57   0.11100  1.0 3.0
   37    42    49    50   0.15000  1.0 3.0
   37    42    49    51   0.15000  1.0 3.0
   37    42    49    52   0.15000  1.0 3.0
   37    42    53    54   0.15000  1.0 3.0
   37    42    53    55   0.15000  1.0 3.0
   37    42    53    56   0.15000  1.0 3.0
   42    37    43    44   7.00000 -1.0 2.0
   42    37    43    45   7.00000 -1.0 2.0
   42    46    57    58   0.15000  1.0 3.0
   42    46    57    59   0.56750  1.0 1.0
   42    46    57    59  -0.07550 -1.0 2.0
   42    46    57    59   0.20000  1.0 3.0
   42    46    57    62   0.62750  1.0 1.0
   42    46    57    62  -0.30950 -1.0 2.0
   42    46    57    62   0.27300  1.0 3.0
   46    42    49    50   0.15000  1.0 3.0
   46    42    49    51   0.15000  1.0 3.0
   46    42    49    52   0.15000  1.0 3.0
   46    42    53    54   0.15000  1.0 3.0
   46    42    53    55   0.15000  1.0 3.0
   46    42    53    56   0.15000  1.0 3.0
   46    57   -59    33   0.56750  1.0 1.0
   46    57   -59    33  -0.07550 -1.0 2.0
   46    57   -59    33   0.20000  1.0 3.0
   46    57    59    60   0.15000  1.0 3.0
   46    57    59    61   0.15000  1.0 3.0
   46    57    62    63   0.06250  1.0 1.0
   46    57    62    63  -0.01100 -1.0 2.0
   46    57    62    63   0.28050  1.0 3.0
   47    46    57    58   0.15000  1.0 3.0
   47    46    57    59   0.15000  1.0 3.0
   47    46    57    62   0.23400  1.0 3.0
   48    46    57    58   0.15000  1.0 3.0
   48    46    57    59   0.15000  1.0 3.0
   48    46    57    62   0.23400  1.0 3.0
   57    62    63    64   0.37050  1.0 3.0
   57    62    63    65   0.06250  1.0 1.0
   57    62    63    65  -0.01100 -1.0 2.0
   57    62    63    65   0.28050  1.0 3.0
   57    62    63    79  -0.12700  1.0 1.0
   57    62    63    79  -1.16200 -1.0 2.0
   57    62    63    79   0.58800  1.0 3.0
   58    57    59    33   0.15000  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    61   0.15000  1.0 3.0
   58    57    62    63   0.37050  1.0 3.0
   59    33   -37    42   0.46850  1.0 1.0
   59    33   -37    42   0.08550 -1.0 2.0
   59    33   -37    42   0.09800  1.0 3.0
   59    33    37    43   0.09850  1.0 1.0
   59    33    37    43   0.15250 -1.0 2.0
   59    33    37    43  -0.50650  1.0 3.0
   59    33    38    39   0.15000  1.0 3.0
   59    33    38    40   0.15000  1.0 3.0
   59    33    38    41   0.15000  1.0 3.0
   59    57    62    63   0.06250  1.0 1.0
   59    57    62    63  -0.01100 -1.0 2.0
   59    57    62    63   0.28050  1.0 3.0
   62    57    59    33   0.62750  1.0 1.0
   62    57    59    33  -0.30950 -1.0 2.0
   62    57    59    33   0.27300  1.0 3.0
   62    57    59    60   0.23400  1.0 3.0
   62    57    59    61   0.23400  1.0 3.0
   62    63    65    66   0.23400  1.0 3.0
   62    63    65    67   0.62750  1.0 1.0
   62    63    65    67  -0.30950 -1.0 2.0
   62    63    65    67   0.27300  1.0 3.0
   62    63    65    69   1.51850  1.0 1.0
   62    63    79    75  -0.70400  1.0 1.0
   62    63    79    75  -0.90350 -1.0 2.0
   63    65    67    68   0.15000  1.0 3.0
   63    65    67    71   0.56750  1.0 1.0
   63    65    67    71  -0.07550 -1.0 2.0
   63    65    67    71   0.20000  1.0 3.0
   63    65    67    73  -0.47750  1.0 1.0
   63    65    69    70   0.29150  1.0 1.0
   63    65    69    70  -0.28350 -1.0 2.0
   63    65    69    70   0.43600  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    67   0.15000  1.0 3.0
   64    63    65    69   0.23400  1.0 3.0
   64    63    79    75   0.37050  1.0 3.0
   65    63    79    75   0.06250  1.0 1.0
   65    63    79    75  -0.01100 -1.0 2.0
   65    63    79    75   0.28050  1.0 3.0
   65    67    71    72   0.15000  1.0 3.0
   65    67   -71    75   0.56750  1.0 1.0
   65    67   -71    75  -0.07550 -1.0 2.0
   65    67   -71    75   0.20000  1.0 3.0
   65    67    71    77  -0.47750  1.0 1.0
   65    67    73    74   0.29150  1.0 1.0
   65    67    73    74  -0.28350 -1.0 2.0
   65    67    73    74   0.43600  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    71   0.15000  1.0 3.0
   66    65    67    73   0.23400  1.0 3.0
   66    65    69    70   0.19450  1.0 3.0
   67    65    69    70   0.29150  1.0 1.0
   67    65    69    70  -0.28350 -1.0 2.0
   67    65    69    70   0.43600  1.0 3.0
   67    71    75    76   0.15000  1.0 3.0
   67    71    75    79   0.62750  1.0 1.0
   67    71    75    79  -0.30950 -1.0 2.0
   67    71    75    79   0.27300  1.0 3.0
   67    71    75    80   0.56750  1.0 1.0
   67    71    75    80  -0.07550 -1.0 2.0
   67    71    75    80   0.20000  1.0 3.0
   67    71    77    78   0.29150  1.0 1.0
   67    71    77    78  -0.28350 -1.0 2.0
   67    71    77    78   0.43600  1.0 3.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    75   0.15000  1.0 3.0
   68    67    71    77   0.23400  1.0 3.0
   68    67    73    74   0.19450  1.0 3.0
   71    67    73    74   0.29150  1.0 1.0
   71    67    73    74  -0.28350 -1.0 2.0
   71    67    73    74   0.43600  1.0 3.0
   71    75   -79    63   0.06250  1.0 1.0
   71    75   -79    63  -0.01100 -1.0 2.0
   71    75   -79    63   0.28050  1.0 3.0
   71    75    80    81   0.15000  1.0 3.0
   71    75    80    82   0.15000  1.0 3.0
   71    75    80    83  -0.47750  1.0 1.0
   72    71    75    76   0.15000  1.0 3.0
   72    71    75    79   0.23400  1.0 3.0
   72    71    75    80   0.15000  1.0 3.0
   72    71    77    78   0.19450  1.0 3.0
   75    71    77    78   0.29150  1.0 1.0
   75    71    77    78  -0.28350 -1.0 2.0
   75    71    77    78   0.43600  1.0 3.0
   75    80    83    84   0.29150  1.0 1.0
   75    80    83    84  -0.28350 -1.0 2.0
   75    80    83    84   0.43600  1.0 3.0
   76    75    79    63   0.37050  1.0 3.0
   76    75    80    81   0.15000  1.0 3.0
   76    75    80    82   0.15000  1.0 3.0
   76    75    80    83   0.23400  1.0 3.0
   79    63    65    66   0.23400  1.0 3.0
   79    63   -65    67   0.62750  1.0 1.0
   79    63   -65    67  -0.30950 -1.0 2.0
   79    63   -65    67   0.27300  1.0 3.0
   79    63    65    69   1.51850  1.0 1.0
   79    75    80    81   0.23400  1.0 3.0
   79    75    80    82   0.23400  1.0 3.0
   79    75    80    83   1.51850  1.0 1.0
   80    75    79    63   0.06250  1.0 1.0
   80    75    79    63  -0.01100 -1.0 2.0
   80    75    79    63   0.28050  1.0 3.0
   81    80    83    84   0.19450  1.0 3.0
   82    80    83    84   0.19450  1.0 3.0
   77    71    75    76   0.23400  1.0 3.0
   77    71    75    79   1.51850  1.0 1.0
   77    71    75    80  -0.47750  1.0 1.0
   73    67    71    72   0.23400  1.0 3.0
   73    67    71    75  -0.47750  1.0 1.0
   73    67    71    77   3.77950  1.0 1.0
   69    65    67    68   0.23400  1.0 3.0
   69    65    67    71  -0.47750  1.0 1.0
   69    65    67    73   3.77950  1.0 1.0
   49    42    46    47   0.15000  1.0 3.0
   49    42    46    48   0.15000  1.0 3.0
   49    42    46    57   0.56750  1.0 1.0
   49    42    46    57  -0.07550 -1.0 2.0
   49    42    46    57   0.20000  1.0 3.0
   49    42    53    54   0.15000  1.0 3.0
   49    42    53    55   0.15000  1.0 3.0
   49    42    53    56   0.15000  1.0 3.0
   53    42    46    47   0.15000  1.0 3.0
   53    42    46    48   0.15000  1.0 3.0
   53    42    46    57   0.56750  1.0 1.0
   53    42    46    57  -0.07550 -1.0 2.0
   53    42    46    57   0.20000  1.0 3.0
   53    42    49    50   0.15000  1.0 3.0
   53    42    49    51   0.15000  1.0 3.0
   53    42    49    52   0.15000  1.0 3.0
   43    37    42    46   0.09850  1.0 1.0
   43    37    42    46   0.15250 -1.0 2.0
   43    37    42    46  -0.50650  1.0 3.0
   43    37    42    49   0.09850  1.0 1.0
   43    37    42    49   0.15250 -1.0 2.0
   43    37    42    49  -0.50650  1.0 3.0
   43    37    42    53   0.09850  1.0 1.0
   43    37    42    53   0.15250 -1.0 2.0
   43    37    42    53  -0.50650  1.0 3.0
   38    33    37    42   0.46850  1.0 1.0
   38    33    37    42   0.08550 -1.0 2.0
   38    33    37    42   0.09800  1.0 3.0
   38    33    37    43   0.09850  1.0 1.0
   38    33    37    43   0.15250 -1.0 2.0
   38    33    37    43  -0.50650  1.0 3.0
   38    33    59    57   0.56750  1.0 1.0
   38    33    59    57  -0.07550 -1.0 2.0
   38    33    59    57   0.20000  1.0 3.0
   38    33    59    60   0.15000  1.0 3.0
   38    33    59    61   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    43   1.10000 -1.0 2.0
   44    45    43    37   1.10000 -1.0 2.0
END
