* LIGAND DATABASE FILE (OPLS2005)
*
001      76    80    158    266     469
    1     0 S   NP   _N1_     1    28.03298    95.46709   -25.28687
    2     1 S   H    _HN1     2     1.02777   114.56027  -109.91296
    3     1 S   H    _H1_     3     1.02957    83.65074    -2.62860
    4     1 S   H    _H2_     4     1.02835    23.52147   171.84758
    5     1 S   CT   _CA1     5     1.50147   123.01263   107.60453
    6     5 S   HC   _HA1     6     1.09576   105.19169    81.81568
    7     5 S   CO3  _C1_     7     1.53769   112.30012   -38.33010
    8     7 S   O2Z  _O11     8     1.26368   114.98919   -44.75746
    9     7 S   O2Z  _O12     9     1.26228   114.92160   134.17238
   10     5 S   CT   _CB1    10     1.53079   107.40238  -160.32026
   11    10 S   HC   HB11    11     1.09831   109.28505   -50.38026
   12    10 S   HC   HB12    12     1.09814   110.45539    66.15408
   13    10 S   CT   _CG1    13     1.53041   112.71036  -171.42941
   14    13 S   HC   HG11    14     1.09590   110.53699   -65.40533
   15    13 S   HC   HG12    15     1.09659   109.88325    53.81808
   16    13 S   C    _CD1    16     1.51858   112.20515   174.15360
   17    16 S   O    _OE1    17     1.22773   123.24385     2.89780
   18    16 S   N    _N2_    18     1.38564   111.82412  -177.08436
   19    18 S   H    _HN2    19     1.01567   119.11901     3.65109
   20    18 S   CT1  _CA2    20     1.45807   122.75208   177.49798
   21    20 S   HC   _HA2    21     1.09740   108.81952    26.06999
   22    20 S   C    _C2_    22     1.52978   107.12175   -90.86951
   23    22 S   O    _O2_    23     1.22971   123.11998   -26.11878
   24    20 S   CT   _CB2    32     1.53184   112.39184   149.19899
   25    24 S   HC   HB21    33     1.09601   110.31091    54.19976
   26    24 S   HC   HB22    34     1.09429   110.00879   173.05516
   27    22 S   N    _N3_    24     1.38516   112.50497   156.54639
   28    27 S   H    _HN3    25     1.01651   120.32591    -2.27710
   29    24 S   S    _SG2    35     1.82563   111.24327   -66.37846
   30    27 S   CT   _CA3    26     1.45348   122.53732   178.52011
   31    30 S   HC   HA31    27     1.09567   107.85912   -54.67710
   32    30 S   HC   HA32    28     1.09559   107.57960    61.67830
   33    29 S   CT   _C16    36     1.85954    99.36094  -178.72881
   34    33 S   HC   _H3_    37     1.09638   106.62350   -33.13114
   35    30 S   CO3  _C3_    29     1.52898   114.28015  -176.61771
   36    35 S   O2Z  _O31    30     1.26343   116.05026    -0.39167
   37    35 S   O2Z  _O32    31     1.26431   114.41755   179.56749
   38    33 S   CT   _C10    38     1.53982   107.72337    84.25832
   39    38 S   HC   _H32    39     1.09669   108.67658   -58.20583
   40    38 S   HC   _H33    40     1.09610   111.47016    58.99469
   41    33 S   CT   _C14    74     1.55793   110.53752  -153.90010
   42    41 S   OM   _O18    75     1.32537   109.39294    73.93789
   43    41 S   HC   _H37    76     1.09767   103.76780   -53.37304
   44    38 S   NT   _N17    41     1.45800   109.27572  -176.37815
   45    44 S   CT   _C9_    42     1.47391   114.37404   165.48923
   46    45 S   HC   _H30    43     1.09722   110.24133   -41.77237
   47    45 S   HC   _H31    44     1.09692   108.29091  -155.47137
   48    45 S   CT   _C5_    45     1.53411   116.17491    83.27642
   49    48 S   HC   _H22    46     1.09727   109.35925   -73.40151
   50    48 S   HC   _H23    47     1.09594   109.59723   169.81113
   51    48 S   CT   _C6_    48     1.53292   111.90264    48.12821
   52    51 S   HC   _H24    49     1.09594   110.34312    66.50525
   53    51 S   HC   _H25    50     1.09558   109.49507  -175.22139
   54    51 S   CT   _C12    51     1.52214   107.26130   -54.95313
   55    54 S   HC   _H35    52     1.09958   106.19458   -54.54882
   56    54 S   CT   _C15    53     1.53656   115.76829  -169.09322
   57    56 S   HC   _H38    54     1.09498   111.14202    51.23798
   58    56 S   CT   _C7_    55     1.51644   109.07230   173.90426
   59    58 S   HC   _H26    56     1.09113   113.45643   -48.43199
   60    58 S   HC   _H27    57     1.09834   110.13093  -169.26201
   61    58 S   CT   _C11    58     1.52090    99.03318    75.45836
   62    61 S   HC   _H34    59     1.09424   111.30630   160.42332
   63    61 S   CO4  _C4_    60     1.51632    96.78164    46.24468
   64    63 S   O    _O19    61     1.22035   126.59586   148.07141
   65    61 S   C4T  _C17    63     1.59364   110.98998   -74.08418
   66    56 S   OS   _O20    62     1.42882   113.22941   -72.17818
   67    65 S   C4T  _C13    64     1.60039   110.35306   150.29898
   68    67 S   HC   _H36    65     1.09872   112.20882    21.16804
   69    44 S   C4T  _C18    69     1.48415   112.95677   -66.08090
   70    67 S   C4T  _C8_    66     1.55262    88.54850   -92.70482
   71    70 S   HC   _H28    67     1.09356   114.54062   100.68297
   72    70 S   HC   _H29    68     1.09668   114.44248  -138.62637
   73    67 S   CT   _C19    70     1.52536   124.49047   149.87696
   74    73 S   HC   _H40    71     1.09214   112.83430    55.46661
   75    73 S   HC   _H41    72     1.09348   111.17862   -66.86267
   76    73 S   HC   _H42    73     1.09590   109.91370   174.74834
  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  10   5   4   3
  13   8   2   1   1  14   5   4  14   5   4  17  12   6   5   9
   5   4  11   5   4  15   7  12   7  10   6   5  10   6   5   2
  11   1   9   8   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    65    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    61    65    67    69    41    42    43  
   38    39    40    44    65    41    42    43  
   36    37  
   37  
    0  
   39    40    44    45    46    47    48    54    65    70    69    41    42    43  
   40    44    45    69    41  
   44    45    69    41  
   42    43    44    54    58    61    62    63    65    67    68    69    70    73  
   43    61    65    67    69  
   61    65    67    69  
   45    46    47    48    49    50    51    54    55    56    61    65    67    70    71    72    69  
   46    47    48    49    50    51    52    53    54    65    70    69  
   47    48    49    50    51    69  
   48    49    50    51    69  
   49    50    51    52    53    54    55    56    69  
   50    51    52    53    54  
   51    52    53    54  
   52    53    54    55    56    57    58    66    65    70    69  
   53    54    55    56    69  
   54    55    56    69  
   55    56    57    58    59    60    61    63    66    65    67    70    71    72    69  
   56    57    58    66    65    70    69  
   57    58    59    60    61    62    63    64    66    65    70    69  
   58    59    60    61    63    66    69  
   59    60    61    62    63    64    66    65    67    69  
   60    61    62    63    66    65  
   61    62    63    66    65  
   62    63    64    66    65    67    68    70    69    73  
   63    64    66    65    67    69  
   64    66    65    67    69  
   66    65  
   67    68    70    71    72    69    73    74    75    76    66  
   69  
   68    70    71    72    69    73    74    75    76  
   70    71    72    69    73    74    75    76  
   73    70    71    72  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.3000   0.1700  -0.542500   1.9050   1.6860   0.051222218  -2.220205820
   45   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660  -0.058800   1.9750   1.7500   0.005000000  -0.741685710
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660  -0.118800   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.063700   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.121200   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    44   382.000  1.448
   44    45   382.000  1.448
   44    69   305.000  1.456
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    69   260.000  1.519
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    66   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   317.000  1.522
   61    65   260.000  1.519
   63    64   570.000  1.229
   63    66   214.000  1.327
   65    67   268.000  1.529
   65    69   268.000  1.529
   65    41   260.000  1.519
   67    68   340.000  1.090
   67    70   268.000  1.529
   67    73   260.000  1.519
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    69   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   41    42   570.000  1.307
   41    43   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    44    56.20000  109.47000
   33    41    65    70.00000  112.98000
   33    41    42    50.00000  109.50000
   33    41    43    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    44    45    51.80000  107.20000
   38    44    69    51.80000  107.20000
   40    38    39    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    40    35.00000  109.50000
   44    45    46    35.00000  109.50000
   44    45    47    35.00000  109.50000
   44    45    48    56.20000  109.47000
   44    69    54    56.20000  109.47000
   44    69    65    65.00000  120.10000
   44    69    70    65.00000  120.10000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    56    58.35000  112.70000
   51    54    69    70.00000  112.98000
   53    51    52    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    56    57    37.50000  110.70000
   54    56    58    58.35000  112.70000
   54    56    66    50.00000  109.50000
   54    69    65    65.00000  119.52000
   54    69    70    65.00000  119.52000
   56    54    55    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    60    37.50000  110.70000
   56    58    61    58.35000  112.70000
   56    66    63    83.00000  116.90000
   58    56    57    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    63.00000  111.10000
   58    61    65    70.00000  112.98000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    63    64    80.00000  120.40000
   61    63    66    81.00000  111.40000
   61    65    67    65.00000  119.52000
   61    65    69    65.00000  119.52000
   61    65    41    58.35000  112.70000
   63    61    62    35.00000  109.50000
   66    56    57    35.00000  109.50000
   66    56    58    50.00000  109.50000
   66    63    64    83.00000  123.40000
   65    61    62    45.00000  111.22300
   65    61    63    63.00000  111.10000
   65    67    68    37.50000  110.70000
   65    67    70    63.00000   92.00000
   65    67    73    65.00000  119.52000
   65    69    70    63.00000   92.00000
   65    41    42    50.00000  109.50000
   65    41    43    45.00000  111.22300
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   67    70    69    63.00000   92.00000
   67    73    74    45.00000  111.22300
   67    73    75    45.00000  111.22300
   67    73    76    45.00000  111.22300
   70    67    68    37.50000  110.70000
   72    70    71    33.00000  107.80000
   69    44    45    51.80000  107.20000
   69    54    55    45.00000  111.22300
   69    54    56    70.00000  112.98000
   69    65    67    63.00000   92.00000
   69    70    71    37.50000  110.70000
   69    70    72    37.50000  110.70000
   73    67    68    45.00000  112.72800
   73    67    70    65.00000  119.52000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    65    67    65.00000  119.52000
   41    65    69    65.00000  119.52000
   43    41    42    45.00000  125.66300
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    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
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    41    65   0.44750  1.0 1.0
   29    33    41    65  -0.17800 -1.0 2.0
   29    33    41    65   0.20200  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   33    38    44    45   0.23450  1.0 1.0
   33    38    44    45   0.02050 -1.0 2.0
   33    38    44    45   0.25250  1.0 3.0
   33    38    44    69   0.23450  1.0 1.0
   33    38    44    69   0.02050 -1.0 2.0
   33    38    44    69   0.25250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    44   0.15000  1.0 3.0
   34    33    41    65   0.15000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    43   0.15000  1.0 3.0
   38    33    41    65   0.31550 -1.0 2.0
   38    33    41    65   0.11250  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    43   0.15000  1.0 3.0
   38    44    45    46   0.28000  1.0 3.0
   38    44    45    47   0.28000  1.0 3.0
   38    44    45    48   0.23450  1.0 1.0
   38    44    45    48   0.02050 -1.0 2.0
   38    44    45    48   0.25250  1.0 3.0
   38    44    69    54   0.23450  1.0 1.0
   38    44    69    54   0.02050 -1.0 2.0
   38    44    69    54   0.25250  1.0 3.0
   38    44   -69    65   0.23450  1.0 1.0
   38    44   -69    65   0.02050 -1.0 2.0
   38    44   -69    65   0.25250  1.0 3.0
   38    44    69    70   0.23450  1.0 1.0
   38    44    69    70   0.02050 -1.0 2.0
   38    44    69    70   0.25250  1.0 3.0
   39    38    44    45   0.28000  1.0 3.0
   39    38    44    69   0.28000  1.0 3.0
   40    38    44    45   0.28000  1.0 3.0
   40    38    44    69   0.28000  1.0 3.0
   44    45    48    49   0.15000  1.0 3.0
   44    45    48    50   0.15000  1.0 3.0
   44    45    48    51   1.53400  1.0 1.0
   44    45    48    51  -0.09950 -1.0 2.0
   44    45    48    51   0.05700  1.0 3.0
   45    44    69    54   0.23450  1.0 1.0
   45    44    69    54   0.02050 -1.0 2.0
   45    44    69    54   0.25250  1.0 3.0
   45    44    69    65   0.23450  1.0 1.0
   45    44    69    65   0.02050 -1.0 2.0
   45    44    69    65   0.25250  1.0 3.0
   45    44    69    70   0.23450  1.0 1.0
   45    44    69    70   0.02050 -1.0 2.0
   45    44    69    70   0.25250  1.0 3.0
   45    48    51    52   0.15000  1.0 3.0
   45    48    51    53   0.15000  1.0 3.0
   45    48   -51    54   0.56750  1.0 1.0
   45    48   -51    54  -0.07550 -1.0 2.0
   45    48   -51    54   0.20000  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   46    45    48    51   0.15000  1.0 3.0
   47    45    48    49   0.15000  1.0 3.0
   47    45    48    50   0.15000  1.0 3.0
   47    45    48    51   0.15000  1.0 3.0
   48    51    54    55   0.15000  1.0 3.0
   48    51    54    56   0.56750  1.0 1.0
   48    51    54    56  -0.07550 -1.0 2.0
   48    51    54    56   0.20000  1.0 3.0
   48    51    54    69   0.31550 -1.0 2.0
   48    51    54    69   0.11250  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    54   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    53   0.15000  1.0 3.0
   50    48    51    54   0.15000  1.0 3.0
   51    54    56    57   0.15000  1.0 3.0
   51    54    56    58   0.56750  1.0 1.0
   51    54    56    58  -0.07550 -1.0 2.0
   51    54    56    58   0.20000  1.0 3.0
   51    54    56    66   0.62750  1.0 1.0
   51    54    56    66  -0.30950 -1.0 2.0
   51    54    56    66   0.27300  1.0 3.0
   51    54   -69    44   1.53400  1.0 1.0
   51    54   -69    44  -0.09950 -1.0 2.0
   51    54   -69    44   0.05700  1.0 3.0
   51    54    69    65   0.04050  1.0 1.0
   51    54    69    65   0.63700 -1.0 2.0
   51    54    69    65   0.17650  1.0 3.0
   51    54    69    70   0.04050  1.0 1.0
   51    54    69    70   0.63700 -1.0 2.0
   51    54    69    70   0.17650  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    69   0.15000  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    56   0.15000  1.0 3.0
   53    51    54    69   0.15000  1.0 3.0
   54    56    58    59   0.15000  1.0 3.0
   54    56    58    60   0.15000  1.0 3.0
   54    56    58    61   0.56750  1.0 1.0
   54    56    58    61  -0.07550 -1.0 2.0
   54    56    58    61   0.20000  1.0 3.0
   54    56    66    63  -0.25900  1.0 1.0
   54    56    66    63  -0.47000 -1.0 2.0
   54    56    66    63   0.11750  1.0 3.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    58   0.15000  1.0 3.0
   55    54    56    66   0.23400  1.0 3.0
   55    54    69    44   0.15000  1.0 3.0
   55    54    69    65   0.00000  1.0 1.0
   55    54    69    70   0.00000  1.0 1.0
   56    54    69    44   1.53400  1.0 1.0
   56    54    69    44  -0.09950 -1.0 2.0
   56    54    69    44   0.05700  1.0 3.0
   56    54    69    65   0.04050  1.0 1.0
   56    54    69    65   0.63700 -1.0 2.0
   56    54    69    65   0.17650  1.0 3.0
   56    54    69    70   0.04050  1.0 1.0
   56    54    69    70   0.63700 -1.0 2.0
   56    54    69    70   0.17650  1.0 3.0
   56    58    61    62   0.15000  1.0 3.0
   56    58   -61    63  -0.95700  1.0 1.0
   56    58   -61    63  -0.18200 -1.0 2.0
   56    58   -61    63   0.29450  1.0 3.0
   56    58   -61    65   0.31550 -1.0 2.0
   56    58   -61    65   0.11250  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    60   0.15000  1.0 3.0
   57    56    58    61   0.15000  1.0 3.0
   57    56    66    63   0.08050  1.0 3.0
   58    56   -66    63  -0.25900  1.0 1.0
   58    56   -66    63  -0.47000 -1.0 2.0
   58    56   -66    63   0.11750  1.0 3.0
   58    61    63    64   0.30150 -1.0 2.0
   58    61   -63    66   0.36750  1.0 3.0
   58    61    65    67   0.04050  1.0 1.0
   58    61    65    67   0.63700 -1.0 2.0
   58    61    65    67   0.17650  1.0 3.0
   58    61    65    69   0.04050  1.0 1.0
   58    61    65    69   0.63700 -1.0 2.0
   58    61    65    69   0.17650  1.0 3.0
   58    61    65    41   0.56750  1.0 1.0
   58    61    65    41  -0.07550 -1.0 2.0
   58    61    65    41   0.20000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63  -0.11250  1.0 3.0
   59    58    61    65   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63  -0.11250  1.0 3.0
   60    58    61    65   0.15000  1.0 3.0
   61    63   -66    56   1.63150  1.0 1.0
   61    63   -66    56   2.92000 -1.0 2.0
   61    65    67    68   0.15000  1.0 3.0
   61    65    67    70  -0.70950  1.0 1.0
   61    65    67    70   0.38400 -1.0 2.0
   61    65    67    73   0.56750  1.0 1.0
   61    65    67    73  -0.07550 -1.0 2.0
   61    65    67    73   0.20000  1.0 3.0
   61    65    69    44   1.53400  1.0 1.0
   61    65    69    44  -0.09950 -1.0 2.0
   61    65    69    44   0.05700  1.0 3.0
   61    65   -69    54   0.56750  1.0 1.0
   61    65   -69    54  -0.07550 -1.0 2.0
   61    65   -69    54   0.20000  1.0 3.0
   61    65   -69    70  -0.70950  1.0 1.0
   61    65   -69    70   0.38400 -1.0 2.0
   61    65    41    33   0.56750  1.0 1.0
   61    65    41    33  -0.07550 -1.0 2.0
   61    65    41    33   0.20000  1.0 3.0
   61    65    41    42   0.62750  1.0 1.0
   61    65    41    42  -0.30950 -1.0 2.0
   61    65    41    42   0.27300  1.0 3.0
   61    65    41    43   0.15000  1.0 3.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    66   0.00000  1.0 1.0
   62    61    65    67   0.00000  1.0 1.0
   62    61    65    69   0.00000  1.0 1.0
   62    61    65    41   0.15000  1.0 3.0
   63    61    65    67  -0.95700  1.0 1.0
   63    61    65    67  -0.18200 -1.0 2.0
   63    61    65    67   0.29450  1.0 3.0
   63    61    65    69  -0.95700  1.0 1.0
   63    61    65    69  -0.18200 -1.0 2.0
   63    61    65    69   0.29450  1.0 3.0
   63    61    65    41  -0.95700  1.0 1.0
   63    61    65    41  -0.18200 -1.0 2.0
   63    61    65    41   0.29450  1.0 3.0
   64    63    66    56   3.00000 -1.0 2.0
   66    56    58    59   0.23400  1.0 3.0
   66    56    58    60   0.23400  1.0 3.0
   66    56   -58    61   0.62750  1.0 1.0
   66    56   -58    61  -0.30950 -1.0 2.0
   66    56   -58    61   0.27300  1.0 3.0
   65    61    63    64   0.30150 -1.0 2.0
   65    61    63    66   0.36750  1.0 3.0
   65    67    70    71   0.15000  1.0 3.0
   65    67    70    72   0.15000  1.0 3.0
   65    67   -70    69   0.00000  1.0 1.0
   65    67    73    74   0.00000  1.0 1.0
   65    67    73    75   0.00000  1.0 1.0
   65    67    73    76   0.00000  1.0 1.0
   67    65    69    44   1.53400  1.0 1.0
   67    65    69    44  -0.09950 -1.0 2.0
   67    65    69    44   0.05700  1.0 3.0
   67    65    69    54  -0.70950  1.0 1.0
   67    65    69    54   0.38400 -1.0 2.0
   67    65   -69    70   0.00000  1.0 1.0
   67    65    41    33   0.04050  1.0 1.0
   67    65    41    33   0.63700 -1.0 2.0
   67    65    41    33   0.17650  1.0 3.0
   67    65    41    42   0.62750  1.0 1.0
   67    65    41    42  -0.30950 -1.0 2.0
   67    65    41    42   0.27300  1.0 3.0
   67    65    41    43   0.00000  1.0 1.0
   67    70   -69    44   1.53400  1.0 1.0
   67    70   -69    44  -0.09950 -1.0 2.0
   67    70   -69    44   0.05700  1.0 3.0
   67    70   -69    54  -0.70950  1.0 1.0
   67    70   -69    54   0.38400 -1.0 2.0
   67    70   -69    65   0.00000  1.0 1.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   68    67    70    69   0.15000  1.0 3.0
   68    67    73    74   0.15000  1.0 3.0
   68    67    73    75   0.15000  1.0 3.0
   68    67    73    76   0.15000  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
   71    70    69    44   0.15000  1.0 3.0
   71    70    69    54   0.15000  1.0 3.0
   71    70   -69    65   0.15000  1.0 3.0
   72    70    69    44   0.15000  1.0 3.0
   72    70    69    54   0.15000  1.0 3.0
   72    70   -69    65   0.15000  1.0 3.0
   69    44    45    46   0.28000  1.0 3.0
   69    44    45    47   0.28000  1.0 3.0
   69    44   -45    48   0.23450  1.0 1.0
   69    44   -45    48   0.02050 -1.0 2.0
   69    44   -45    48   0.25250  1.0 3.0
   69    54    56    57   0.15000  1.0 3.0
   69    54   -56    58   0.31550 -1.0 2.0
   69    54   -56    58   0.11250  1.0 3.0
   69    54    56    66   0.62750  1.0 1.0
   69    54    56    66  -0.30950 -1.0 2.0
   69    54    56    66   0.27300  1.0 3.0
   69    65   -67    68   0.15000  1.0 3.0
   69    65   -67    70   0.00000  1.0 1.0
   69    65    67    73  -0.70950  1.0 1.0
   69    65    67    73   0.38400 -1.0 2.0
   69    65   -41    33   0.04050  1.0 1.0
   69    65   -41    33   0.63700 -1.0 2.0
   69    65   -41    33   0.17650  1.0 3.0
   69    65    41    42   0.62750  1.0 1.0
   69    65    41    42  -0.30950 -1.0 2.0
   69    65    41    42   0.27300  1.0 3.0
   69    65    41    43   0.00000  1.0 1.0
   73    67    70    71   0.15000  1.0 3.0
   73    67    70    72   0.15000  1.0 3.0
   73    67   -70    69  -0.70950  1.0 1.0
   73    67   -70    69   0.38400 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    44   1.53400  1.0 1.0
   41    33    38    44  -0.09950 -1.0 2.0
   41    33    38    44   0.05700  1.0 3.0
   41    65    67    68   0.15000  1.0 3.0
   41    65    67    70  -0.70950  1.0 1.0
   41    65    67    70   0.38400 -1.0 2.0
   41    65    67    73   0.56750  1.0 1.0
   41    65    67    73  -0.07550 -1.0 2.0
   41    65    67    73   0.20000  1.0 3.0
   41    65   -69    44   1.53400  1.0 1.0
   41    65   -69    44  -0.09950 -1.0 2.0
   41    65   -69    44   0.05700  1.0 3.0
   41    65    69    54   0.56750  1.0 1.0
   41    65    69    54  -0.07550 -1.0 2.0
   41    65    69    54   0.20000  1.0 3.0
   41    65   -69    70  -0.70950  1.0 1.0
   41    65   -69    70   0.38400 -1.0 2.0
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
   37    30    35    36  10.50000 -1.0 2.0
   61    66    63    64  10.50000 -1.0 2.0
END
