* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    151    222     431
    1     0 S   NP   _N1_     1    28.91208   101.08775   -19.30546
    2     1 S   H    _HN1     2     1.02776    83.09691   -97.30188
    3     1 S   H    _H1_     3     1.02958    56.54035    20.07483
    4     1 S   H    _H2_     4     1.02835    68.07973   150.22114
    5     1 S   CT   _CA1     5     1.50112   163.41268    61.00869
    6     5 S   HC   _HA1     6     1.09572   105.24818   141.87670
    7     5 S   CO3  _C1_     7     1.53818   112.37868    21.61375
    8     7 S   O2Z  _O11     8     1.26366   115.00567   -43.83162
    9     7 S   O2Z  _O12     9     1.26240   114.94634   135.40163
   10     5 S   CT   _CB1    10     1.53110   107.43826  -100.15534
   11    10 S   HC   HB11    11     1.09822   109.43601   -50.35146
   12    10 S   HC   HB12    12     1.09818   110.38418    66.24222
   13    10 S   CT   _CG1    13     1.52989   112.60513  -171.42471
   14    13 S   HC   HG11    14     1.09601   110.43903   -62.47049
   15    13 S   HC   HG12    15     1.09649   109.97892    56.70691
   16    13 S   C    _CD1    16     1.51819   112.39067   177.15036
   17    16 S   O    _OE1    17     1.22729   123.32360    -2.85862
   18    16 S   N    _N2_    18     1.38504   111.56936   177.01227
   19    18 S   H    _HN2    19     1.01559   119.00254     5.30127
   20    18 S   CT1  _CA2    20     1.45921   123.16475   179.33031
   21    20 S   HC   _HA2    21     1.09717   109.08088    19.73909
   22    20 S   C    _C2_    22     1.52832   106.81019   -97.47882
   23    22 S   O    _O2_    23     1.22999   122.92077   -28.95552
   24    20 S   CT   _CB2    32     1.53330   111.80724   142.81674
   25    24 S   HC   HB21    33     1.09281   109.34808    55.82916
   26    24 S   HC   HB22    34     1.09432   109.81670   174.12420
   27    22 S   N    _N3_    24     1.38473   112.68620   153.67609
   28    27 S   H    _HN3    25     1.01662   120.38470    -1.20333
   29    24 S   S    _SG2    35     1.83030   110.15525   -66.24328
   30    27 S   CT   _CA3    26     1.45361   122.38529   178.78003
   31    30 S   HC   HA31    27     1.09567   107.55737   -61.44463
   32    30 S   HC   HA32    28     1.09571   107.82933    54.84353
   33    29 S   CT   _C16    36     1.90432   103.38790   161.67367
   34    30 S   CO3  _C3_    29     1.52877   114.45044   176.81875
   35    34 S   O2Z  _O31    30     1.26320   116.11261    -0.22985
   36    34 S   O2Z  _O32    31     1.26459   114.38758   179.81655
   37    33 S   CT   _C15    37     1.56942   103.91304   -71.88170
   38    37 S   HC   _H16    38     1.09509   111.96072    58.90634
   39    37 S   HC   _H17    39     1.09797   109.94686   -58.16147
   40    33 S   CT   _C17    77     1.60280   110.61170    43.57196
   41    40 S   OM   _O35    78     1.32524   111.06694    56.89907
   42    40 S   HC   _H18    79     1.10221   105.77772   -70.97455
   43    40 S   HC   _H19    80     1.10043   105.88838  -175.82758
   44    37 S   CT   _C14    40     1.52945   113.55976  -179.97202
   45    44 S   HC   _H14    41     1.09477   110.56190   -77.78723
   46    44 S   HC   _H15    42     1.09481   109.90006   162.81409
   47    44 S   CO4  _C13    43     1.50696   110.83317    42.71443
   48    47 S   O    _O34    44     1.22942   121.16914  -162.30517
   49    47 S   CT   _C12    45     1.52036   115.46120    20.59374
   50    49 S   HC   _H4_    46     1.09610   105.93937    56.14387
   51    33 S   CT   _C11    47     1.64405   112.06367   171.66662
   52    49 S   OS   _O36    72     1.42557   111.22319   174.51827
   53    51 S   C3T  _C9_    48     1.56252   113.73905     7.08499
   54    51 S   OH   _O37    70     1.43898   110.16915  -113.73829
   55    54 S   HO   _H23    71     0.97042   109.07951   -58.62626
   56    52 S   CT   _C18    73     1.42122   113.30295   -83.94993
   57    56 S   HC   _H20    74     1.09328   108.24344   177.57634
   58    56 S   HC   _H21    75     1.09368   111.15879    58.42740
   59    56 S   HC   _H22    76     1.09416   110.32435   -63.94159
   60    53 S   C3T  _C8_    49     1.54214   124.28787   -84.69955
   61    60 S   HC   _H3_    50     1.08484   116.69233   154.25734
   62    53 S   CT   _C10    66     1.51385   117.72915    78.55793
   63    62 S   HC   _H11    67     1.09250   112.11567   -39.00515
   64    62 S   HC   _H12    68     1.09535   111.49860  -158.97221
   65    62 S   HC   _H13    69     1.09501   110.58049    81.88698
   66    53 S   O3T  _O33    51     1.44770   113.48408  -149.56403
   67    60 S   CT   _C7_    52     1.49594   126.98347     0.98457
   68    67 S   HC   _H9_    53     1.09068   112.68721   -37.45763
   69    67 S   HC   _H10    54     1.09610   108.40307    78.82966
   70    67 S   CM   _C6_    55     1.50774   113.45884  -162.43426
   71    70 S   HC   _H8_    56     1.08909   114.30432   -82.74512
   72    70 S   CM   _C5_    57     1.34668   127.27364    98.63391
   73    72 S   CT   _C4_    58     1.50488   120.60969   178.36625
   74    73 S   HC   _H5_    59     1.09493   110.28836   119.26395
   75    73 S   HC   _H6_    60     1.09496   110.21181  -120.91420
   76    73 S   HC   _H7_    61     1.09511   112.38499    -0.86366
   77    72 S   CT   _C19    62     1.50298   124.82713    -2.32229
   78    77 S   HC   _H24    63     1.09483   110.08871   115.04507
   79    77 S   HC   _H25    64     1.09537   110.04588  -125.63212
   80    77 S   HC   _H26    65     1.09247   113.48326    -5.95891
  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
  21   2   1   1  15   7   6   8   3   2   1   8   4   3   8   4
  13   5  13   6  13   4   1   3   2   1   1  12   6   5   3   2
   1   4   7   4   3  10   3   8   7   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    49    51    53    54    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    47    49    50    51    53    60    66    62    54    55    52    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    47    48    49    51    53    54    40    41    42    43  
   39    44    45    46    47    51    40  
   44    45    46    47    51    40  
   41    42    43    44    49    51    53    54  
   42    43    51  
   43    51  
   51  
   45    46    47    48    49    50    51    52  
   46    47    48    49  
   47    48    49  
   48    49    50    51    53    54    52    56  
   49    50    51    52  
   50    51    53    60    66    62    54    55    52    56    57    58    59  
   51    53    54    52    56  
   53    60    61    66    67    62    63    64    65    54    55    52    56  
   56    57    58    59    53    54  
   60    61    66    67    68    69    70    62    63    64    65    54    55  
   55    60    62    66  
    0  
   57    58    59  
   58    59  
   59  
    0  
   61    66    67    68    69    70    71    72    62    63    64    65  
   66    67    68    69    70    62  
   63    64    65    66    67  
   64    65    66  
   65    66  
   66  
   67    68    69    70  
   68    69    70    71    72    73    77  
   69    70    71    72  
   70    71    72  
   71    72    73    74    75    76    77    78    79    80  
   72    73    77  
   73    74    75    76    77    78    79    80  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   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    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    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   317.000  1.522
   47    48   570.000  1.229
   47    49   317.000  1.522
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    52   320.000  1.410
   51    53   275.000  1.510
   51    54   320.000  1.410
   53    60   260.000  1.509
   53    66   335.000  1.432
   53    62   275.000  1.510
   60    61   340.000  1.088
   60    66   335.000  1.432
   60    67   275.000  1.510
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   317.000  1.510
   70    71   340.000  1.080
   70    72   549.000  1.340
   72    73   317.000  1.510
   72    77   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   54    55   553.000  0.945
   52    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   40    41   570.000  1.307
   40    42   340.000  1.090
   40    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    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    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    58.35000  112.70000
   33    51    49    58.35000  112.70000
   33    51    53    70.00000  112.37300
   33    51    54    50.00000  109.50000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    37.50000  110.70000
   37    44    46    37.50000  110.70000
   37    44    47    63.00000  111.10000
   39    37    38    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    39    37.50000  110.70000
   44    47    48    80.00000  120.40000
   44    47    49    70.00000  116.00000
   46    44    45    33.00000  107.80000
   47    44    45    35.00000  109.50000
   47    44    46    35.00000  109.50000
   47    49    50    35.00000  109.50000
   47    49    51    63.00000  111.10000
   47    49    52    90.00000  108.74100
   49    47    48    80.00000  120.40000
   49    51    53    70.00000  112.37300
   49    51    54    50.00000  109.50000
   49    52    56    60.00000  109.50000
   51    33    37    58.35000  112.70000
   51    49    50    37.50000  110.70000
   51    53    60    60.00000  120.94000
   51    53    66    80.00000  116.47100
   51    53    62    58.35000  112.70000
   51    54    55    55.00000  108.50000
   53    60    61    37.50000  117.20000
   53    60    66    15.00000   60.43100
   53    60    67    60.00000  120.94000
   53    66    60    15.00000   59.14900
   53    62    63    45.00000  109.38400
   53    62    64    45.00000  109.38400
   53    62    65    45.00000  109.38400
   60    67    68    45.00000  109.38400
   60    67    69    45.00000  109.38400
   60    67    70    70.00000  112.02700
   66    53    60    15.00000   60.43100
   66    60    61    50.00000  114.27700
   67    60    61    40.00000  115.04500
   67    60    66    80.00000  116.47100
   67    70    71    35.00000  117.00000
   67    70    72    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    35.00000  109.50000
   70    67    69    35.00000  109.50000
   70    72    73    70.00000  124.00000
   70    72    77    70.00000  124.00000
   72    70    71    35.00000  120.00000
   72    73    74    35.00000  109.50000
   72    73    75    35.00000  109.50000
   72    73    76    35.00000  109.50000
   72    77    78    35.00000  109.50000
   72    77    79    35.00000  109.50000
   72    77    80    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    72    73    65.00000  117.92700
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   62    53    60    60.00000  120.94000
   62    53    66    80.00000  116.47100
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   54    51    53    50.00000  109.50000
   52    49    50    35.00000  109.50000
   52    49    51    50.00000  109.50000
   52    56    57    35.00000  109.50000
   52    56    58    35.00000  109.50000
   52    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   42    40    41    45.00000  125.66300
   43    40    41    45.00000  125.66300
   43    40    42    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    39   0.15000  1.0 3.0
   29    33    37    44   0.44750  1.0 1.0
   29    33    37    44  -0.17800 -1.0 2.0
   29    33    37    44   0.20200  1.0 3.0
   29    33    51    49   0.44750  1.0 1.0
   29    33    51    49  -0.17800 -1.0 2.0
   29    33    51    49   0.20200  1.0 3.0
   29    33    51    53   0.44750  1.0 1.0
   29    33    51    53  -0.17800 -1.0 2.0
   29    33    51    53   0.20200  1.0 3.0
   29    33    51    54   0.56750  1.0 1.0
   29    33    51    54  -0.07550 -1.0 2.0
   29    33    51    54   0.20000  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    37    44    45   0.15000  1.0 3.0
   33    37    44    46   0.15000  1.0 3.0
   33    37    44    47  -0.95700  1.0 1.0
   33    37    44    47  -0.18200 -1.0 2.0
   33    37    44    47   0.29450  1.0 3.0
   33    51    53    60   0.07850  1.0 1.0
   33    51    53    60  -0.03950 -1.0 2.0
   33    51    53    60   0.67350  1.0 3.0
   33    51    53    66   0.02550  1.0 1.0
   33    51    53    66  -0.02600 -1.0 2.0
   33    51    53    66   1.20400  1.0 3.0
   33    51    53    62   0.56750  1.0 1.0
   33    51    53    62  -0.07550 -1.0 2.0
   33    51    53    62   0.20000  1.0 3.0
   33    51    54    55  -0.11600  1.0 1.0
   33    51    54    55  -0.09450 -1.0 2.0
   33    51    54    55   0.21250  1.0 3.0
   37    33    51    49   0.56750  1.0 1.0
   37    33    51    49  -0.07550 -1.0 2.0
   37    33    51    49   0.20000  1.0 3.0
   37    33    51    53   0.47050  1.0 1.0
   37    33    51    53   0.03900 -1.0 2.0
   37    33    51    53   0.20100  1.0 3.0
   37    33    51    54   0.86500  1.0 1.0
   37    33    51    54  -0.17500 -1.0 2.0
   37    33    51    54   0.20800  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    43   0.15000  1.0 3.0
   37    44    47    48   0.30150 -1.0 2.0
   37    44   -47    49   0.60050  1.0 1.0
   37    44   -47    49   0.05600 -1.0 2.0
   37    44   -47    49   0.26150  1.0 3.0
   38    37    44    45   0.15000  1.0 3.0
   38    37    44    46   0.15000  1.0 3.0
   38    37    44    47  -0.11250  1.0 3.0
   39    37    44    45   0.15000  1.0 3.0
   39    37    44    46   0.15000  1.0 3.0
   39    37    44    47  -0.11250  1.0 3.0
   44    47    49    50   0.00000  1.0 1.0
   44    47    49    51   0.60050  1.0 1.0
   44    47    49    51   0.05600 -1.0 2.0
   44    47    49    51   0.26150  1.0 3.0
   44    47    49    52   0.55300  1.0 1.0
   44    47    49    52   1.25850 -1.0 2.0
   44    47    49    52  -0.23600  1.0 3.0
   45    44    47    48   0.00000  1.0 1.0
   45    44    47    49   0.00000  1.0 1.0
   46    44    47    48   0.00000  1.0 1.0
   46    44    47    49   0.00000  1.0 1.0
   47    49   -51    33  -0.95700  1.0 1.0
   47    49   -51    33  -0.18200 -1.0 2.0
   47    49   -51    33   0.29450  1.0 3.0
   47    49    51    53  -0.95700  1.0 1.0
   47    49    51    53  -0.18200 -1.0 2.0
   47    49    51    53   0.29450  1.0 3.0
   47    49    51    54  -0.09450  1.0 1.0
   47    49    51    54  -1.12950 -1.0 2.0
   47    49    51    54   0.54000  1.0 3.0
   47    49    52    56  -1.11000  1.0 1.0
   47    49    52    56   0.50250 -1.0 2.0
   47    49    52    56   0.47450  1.0 3.0
   48    47    49    50   0.00000  1.0 1.0
   48    47    49    51   0.30150 -1.0 2.0
   48    47    49    52   0.30150 -1.0 2.0
   49    51    53    60   0.07850  1.0 1.0
   49    51    53    60  -0.03950 -1.0 2.0
   49    51    53    60   0.67350  1.0 3.0
   49    51    53    66   0.02550  1.0 1.0
   49    51    53    66  -0.02600 -1.0 2.0
   49    51    53    66   1.20400  1.0 3.0
   49    51    53    62   0.56750  1.0 1.0
   49    51    53    62  -0.07550 -1.0 2.0
   49    51    53    62   0.20000  1.0 3.0
   49    51    54    55  -0.11600  1.0 1.0
   49    51    54    55  -0.09450 -1.0 2.0
   49    51    54    55   0.21250  1.0 3.0
   49    52    56    57   0.37050  1.0 3.0
   49    52    56    58   0.37050  1.0 3.0
   49    52    56    59   0.37050  1.0 3.0
   50    49    51    33   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    54   0.23400  1.0 3.0
   50    49    52    56   0.37050  1.0 3.0
   51    33    37    38   0.15000  1.0 3.0
   51    33    37    39   0.15000  1.0 3.0
   51    33   -37    44   0.56750  1.0 1.0
   51    33   -37    44  -0.07550 -1.0 2.0
   51    33   -37    44   0.20000  1.0 3.0
   51    33    40    41   0.62750  1.0 1.0
   51    33    40    41  -0.30950 -1.0 2.0
   51    33    40    41   0.27300  1.0 3.0
   51    33    40    42   0.15000  1.0 3.0
   51    33    40    43   0.15000  1.0 3.0
   51    49    52    56   0.06250  1.0 1.0
   51    49    52    56  -0.01100 -1.0 2.0
   51    49    52    56   0.28050  1.0 3.0
   51    53    60    61   0.15000  1.0 3.0
   51    53   -60    66   0.02550  1.0 1.0
   51    53   -60    66  -0.02600 -1.0 2.0
   51    53   -60    66   1.20400  1.0 3.0
   51    53    60    67   0.56750  1.0 1.0
   51    53    60    67  -0.07550 -1.0 2.0
   51    53    60    67   0.20000  1.0 3.0
   51    53   -66    60   0.06250  1.0 1.0
   51    53   -66    60  -0.01100 -1.0 2.0
   51    53   -66    60   0.28050  1.0 3.0
   51    53    62    63   0.15000  1.0 3.0
   51    53    62    64   0.15000  1.0 3.0
   51    53    62    65   0.15000  1.0 3.0
   53    51    54    55  -0.11600  1.0 1.0
   53    51    54    55  -0.09450 -1.0 2.0
   53    51    54    55   0.21250  1.0 3.0
   53    60    67    68   0.15000  1.0 3.0
   53    60    67    69   0.15000  1.0 3.0
   53    60    67    70   0.34400  1.0 1.0
   53    60    67    70   0.09450 -1.0 2.0
   53    60    67    70   0.11100  1.0 3.0
   60    53    62    63   0.15000  1.0 3.0
   60    53    62    64   0.15000  1.0 3.0
   60    53    62    65   0.15000  1.0 3.0
   60    67    70    71   0.00000  1.0 1.0
   60    67    70    72   0.09850  1.0 1.0
   60    67    70    72   0.15250 -1.0 2.0
   60    67    70    72  -0.50650  1.0 3.0
   61    60   -66    53   0.36800  1.0 3.0
   61    60    67    68   0.15000  1.0 3.0
   61    60    67    69   0.15000  1.0 3.0
   61    60    67    70   0.15000  1.0 3.0
   66    53   -60    61   0.23400  1.0 3.0
   66    53   -60    67   0.02550  1.0 1.0
   66    53   -60    67  -0.02600 -1.0 2.0
   66    53   -60    67   1.20400  1.0 3.0
   66    53    62    63   0.23400  1.0 3.0
   66    53    62    64   0.23400  1.0 3.0
   66    53    62    65   0.23400  1.0 3.0
   66    60    67    68   0.23400  1.0 3.0
   66    60    67    69   0.23400  1.0 3.0
   66    60    67    70   0.61850  1.0 1.0
   66    60    67    70  -0.22750 -1.0 2.0
   66    60    67    70   0.15300  1.0 3.0
   67    60   -66    53   0.06250  1.0 1.0
   67    60   -66    53  -0.01100 -1.0 2.0
   67    60   -66    53   0.28050  1.0 3.0
   67    70    72    73   7.00000 -1.0 2.0
   67    70    72    77   7.00000 -1.0 2.0
   68    67    70    71   0.33100  1.0 3.0
   68    67    70    72   0.00000  1.0 1.0
   69    67    70    71   0.33100  1.0 3.0
   69    67    70    72   0.00000  1.0 1.0
   70    72    73    74   0.00000  1.0 1.0
   70    72    73    75   0.00000  1.0 1.0
   70    72    73    76   0.00000  1.0 1.0
   70    72    77    78   0.00000  1.0 1.0
   70    72    77    79   0.00000  1.0 1.0
   70    72    77    80   0.00000  1.0 1.0
   71    70    72    73   7.00000 -1.0 2.0
   71    70    72    77   7.00000 -1.0 2.0
   73    72    77    78   0.34800  1.0 3.0
   73    72    77    79   0.34800  1.0 3.0
   73    72    77    80   0.34800  1.0 3.0
   77    72    73    74   0.34800  1.0 3.0
   77    72    73    75   0.34800  1.0 3.0
   77    72    73    76   0.34800  1.0 3.0
   62    53    60    61   0.15000  1.0 3.0
   62    53   -60    66   0.02550  1.0 1.0
   62    53   -60    66  -0.02600 -1.0 2.0
   62    53   -60    66   1.20400  1.0 3.0
   62    53    60    67   0.56750  1.0 1.0
   62    53    60    67  -0.07550 -1.0 2.0
   62    53    60    67   0.20000  1.0 3.0
   62    53   -66    60   0.06250  1.0 1.0
   62    53   -66    60  -0.01100 -1.0 2.0
   62    53   -66    60   0.28050  1.0 3.0
   54    51    53    60   0.86500  1.0 1.0
   54    51    53    60  -0.17500 -1.0 2.0
   54    51    53    60   0.20800  1.0 3.0
   54    51    53    66   3.69350  1.0 1.0
   54    51    53    66  -1.82950 -1.0 2.0
   54    51    53    62   0.86500  1.0 1.0
   54    51    53    62  -0.17500 -1.0 2.0
   54    51    53    62   0.20800  1.0 3.0
   52    49    51    33   0.62750  1.0 1.0
   52    49    51    33  -0.30950 -1.0 2.0
   52    49    51    33   0.27300  1.0 3.0
   52    49    51    53  -0.26800  1.0 1.0
   52    49    51    53   0.69150 -1.0 2.0
   52    49    51    53  -0.48750  1.0 3.0
   52    49    51    54   3.69350  1.0 1.0
   52    49    51    54  -1.82950 -1.0 2.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44   0.56750  1.0 1.0
   40    33    37    44  -0.07550 -1.0 2.0
   40    33    37    44   0.20000  1.0 3.0
   40    33    51    49   0.56750  1.0 1.0
   40    33    51    49  -0.07550 -1.0 2.0
   40    33    51    49   0.20000  1.0 3.0
   40    33    51    53   0.47050  1.0 1.0
   40    33    51    53   0.03900 -1.0 2.0
   40    33    51    53   0.20100  1.0 3.0
   40    33    51    54   0.86500  1.0 1.0
   40    33    51    54  -0.17500 -1.0 2.0
   40    33    51    54   0.20800  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
   44    49    47    48  10.50000 -1.0 2.0
   67    71    70    72  15.00000 -1.0 2.0
   73    77    72    70  15.00000 -1.0 2.0
END
