* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    144    222     428
    1     0 S   NP   _N1_     1    28.10503    96.32208   -22.28429
    2     1 S   H    _HN1     2     1.02959    77.55152    -2.17142
    3     1 S   H    _H1_     3     1.02837    35.23874   144.20155
    4     1 S   H    _H2_     4     1.02776   100.02175  -108.91562
    5     1 S   CT   _CA1     5     1.50128   141.04111   104.95642
    6     5 S   HC   _HA1     6     1.09575   105.22114    82.15579
    7     5 S   CO3  _C1_     7     1.53785   112.35201   -38.03917
    8     7 S   O2Z  _O11     8     1.26363   114.99355   -44.15374
    9     7 S   O2Z  _O12     9     1.26236   114.93347   134.95072
   10     5 S   CT   _CB1    10     1.53099   107.42610  -159.93680
   11    10 S   HC   HB11    11     1.09826   109.33270   -50.61866
   12    10 S   HC   HB12    12     1.09816   110.42636    65.93450
   13    10 S   CT   _CG1    13     1.53019   112.67035  -171.69638
   14    13 S   HC   HG11    14     1.09595   110.48358   -64.24069
   15    13 S   HC   HG12    15     1.09656   109.92515    54.95669
   16    13 S   C    _CD1    16     1.51843   112.32484   175.32295
   17    16 S   O    _OE1    17     1.22746   123.29415    -0.05234
   18    16 S   N    _N2_    18     1.38569   111.71361   179.89913
   19    18 S   H    _HN2    19     1.01571   118.94635     4.85531
   20    18 S   CT1  _CA2    20     1.45795   122.89274   177.63603
   21    20 S   HC   _HA2    21     1.09724   109.01121    21.73172
   22    20 S   C    _C2_    22     1.52805   107.02455   -95.43538
   23    22 S   O    _O2_    23     1.22962   122.94340   -31.23674
   24    20 S   CT   _CB2    32     1.53158   112.12873   144.94773
   25    24 S   HC   HB21    33     1.09530   110.06301    50.45356
   26    24 S   HC   HB22    34     1.09211   110.07308   169.04021
   27    22 S   N    _N3_    24     1.38480   112.50922   151.60562
   28    27 S   H    _HN3    25     1.01650   120.38618    -2.14302
   29    24 S   S    _SG2    35     1.82926   110.65616   -70.06275
   30    27 S   CT   _CA3    26     1.45341   122.57167   178.43990
   31    30 S   HC   HA31    27     1.09562   107.45235   -63.49276
   32    30 S   HC   HA32    28     1.09558   107.99480    52.90197
   33    29 S   CT   _C11    36     1.90773   101.00134  -167.13879
   34    30 S   CO3  _C3_    29     1.52895   114.22715   174.83749
   35    34 S   O2Z  _O31    30     1.26345   116.01824    -3.98733
   36    34 S   O2Z  _O32    31     1.26425   114.43546   175.99865
   37    33 S   CO4  _C10    37     1.51734   101.75177  -176.94924
   38    37 S   O    _O35    38     1.22213   126.75899    75.15022
   39    33 S   CT   _C12    57     1.55100   107.34898   -55.83505
   40    39 S   HC   _H14    58     1.09577   109.78081    84.65061
   41    39 S   HC   _H15    59     1.10162   107.98956   -25.90393
   42    37 S   OS   _O34    39     1.36032   109.94890  -100.14586
   43    42 S   CO4  _C9_    40     1.35635   111.90324    -5.46303
   44    43 S   O    _O33    41     1.22206   123.88279   176.30488
   45    33 S   CT   _C8_    42     1.54743   107.84051    75.25689
   46    45 S   HC   _H4_    43     1.09410   107.55239   -14.35520
   47    45 S   CT   _C7_    44     1.56310   120.86379  -137.32627
   48    47 S   HC   _H3_    45     1.09254   107.57831    36.08592
   49    47 S   CT   _C19    46     1.57486   116.55328   -87.95062
   50    49 S   OM   _O37    47     1.32387   109.42568   169.62927
   51    49 S   HC   _H6_    48     1.10088   105.55735   -63.01928
   52    47 S   CT   _C6_    68     1.57804   108.78775   149.10437
   53    52 S   HC   _H12    69     1.09675   109.93743    52.32350
   54    52 S   HC   _H13    70     1.09621   110.04121   168.67258
   55    49 S   CO4  _C18    49     1.53947   115.48944    50.67600
   56    55 S   O    _O36    50     1.23801   119.54385   -95.73537
   57    52 S   CT   _C5_    71     1.53488   114.07065   -71.28185
   58    57 S   HC   _H10    72     1.09585   109.93025   -50.36752
   59    57 S   HC   _H11    73     1.09320   111.00416    68.47910
   60    55 S   CT   _C17    51     1.52405   122.27838    86.11956
   61    60 S   HC   _H20    52     1.09593   109.03389    57.16421
   62    60 S   HC   _H21    53     1.09846   106.11786   169.83411
   63    57 S   CT   _C4_    74     1.52217   111.25061  -171.13357
   64    63 S   HC   _H7_    75     1.09461   110.94736   -61.06433
   65    63 S   HC   _H8_    76     1.09396   110.25187   179.10891
   66    63 S   HC   _H9_    77     1.09468   111.09463    59.55268
   67    60 S   CT   _C16    54     1.52466   116.17997   -68.97281
   68    67 S   HC   _H5_    55     1.09642   106.27764  -173.55780
   69    67 S   CM   _C13    56     1.51554   114.26661   -54.42231
   70    67 S   OH   _O38    66     1.42331   112.85236    74.57951
   71    70 S   HO   _H22    67     0.97431   108.42377     9.99348
   72    69 S   CM   _C14    60     1.35286   121.46061   -85.61934
   73    72 S   HC   _H16    61     1.08961   118.23764  -175.27748
   74    72 S   CT   _C15    62     1.49570   128.64109     5.39703
   75    74 S   HC   _H17    63     1.09437   109.67011  -117.18774
   76    74 S   HC   _H18    64     1.09478   109.41083   124.44231
   77    74 S   HC   _H19    65     1.09143   113.98348     4.13763
  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
  17   2   1   1  11   4  15   5   4   5   7   3  12   4  14   8
  12   5   4  10   5   4   8   4   6   5   4   8   5   4   3   2
   1   1   7   4   8   2   1   5   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    45    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    43    45    46    47    69    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    45    46    47    48    49    67    69    39    40    41    72    52  
   35    36  
   36  
    0  
   38    42    43    44    45    46    47    69    39    40    41  
   42    43    45    39  
   40    41    72    73    74    70    42    43    45    46    47    60    67    68    69  
   41    72    45    67    69  
   72    45    67    69  
   43    44    45    46    47  
   44    45    46    47    48    49    52  
   45    46    47  
   46    47    48    49    50    51    55    69    52    53    54    57  
   47    48    49    52  
   48    49    50    51    55    56    60    52    53    54    57    58    59    63  
   49    50    51    55    52    53    54    57  
   50    51    55    56    60    61    62    67    52    53    54    57  
   51    55    56    60    52  
   55    56    60    52  
   53    54    57    58    59    63    64    65    66    55  
   54    57    58    59    63  
   57    58    59    63  
   56    60    61    62    67    68    69    70  
   60    61    62    67  
   58    59    63    64    65    66  
   59    63    64    65    66  
   63    64    65    66  
   61    62    67    68    69    72    70    71  
   62    67    68    69    70  
   67    68    69    70  
   64    65    66  
   65    66  
   66  
    0  
   68    69    72    73    74    70    71  
   69    72    70    71  
   72    73    74    75    76    77    70    71  
   71    72  
    0  
   73    74    75    76    77  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.0000   0.1700  -0.160000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   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   317.000  1.522
   33    45   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    42   214.000  1.327
   42    43   214.000  1.327
   43    44   570.000  1.229
   43    45   317.000  1.522
   45    46   340.000  1.090
   45    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    52   268.000  1.529
   49    50   570.000  1.307
   49    51   340.000  1.090
   49    55   317.000  1.522
   55    56   570.000  1.229
   55    60   317.000  1.522
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    67   268.000  1.529
   67    68   340.000  1.090
   67    69   317.000  1.510
   67    70   320.000  1.410
   69    39   317.000  1.510
   69    72   549.000  1.340
   39    40   340.000  1.090
   39    41   340.000  1.090
   72    73   340.000  1.080
   72    74   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   70    71   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   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  110.18000
   29    33    45    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    42    81.00000  111.40000
   33    45    43    63.00000  111.10000
   33    45    46    37.50000  110.70000
   33    45    47    58.35000  112.70000
   33    39    69    70.00000  112.02700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43   105.00000  110.06700
   42    37    38    83.00000  123.40000
   42    43    44    83.00000  123.40000
   42    43    45    81.00000  111.40000
   43    45    46    35.00000  109.50000
   43    45    47    63.00000  111.10000
   45    33    37    63.00000  111.10000
   45    43    44    80.00000  120.40000
   45    47    48    37.50000  110.70000
   45    47    49    58.35000  112.70000
   45    47    52    58.35000  112.70000
   47    45    46    37.50000  110.70000
   47    49    50    50.00000  109.50000
   47    49    51    37.50000  110.70000
   47    49    55    63.00000  111.10000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    57    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    55    56    80.00000  120.40000
   49    55    60    70.00000  116.00000
   51    49    50    45.00000  125.66300
   55    49    50    90.00000  108.74100
   55    49    51    35.00000  109.50000
   55    60    61    35.00000  109.50000
   55    60    62    35.00000  109.50000
   55    60    67    63.00000  111.10000
   60    55    56    80.00000  120.40000
   60    67    68    37.50000  110.70000
   60    67    69    70.00000  112.02700
   60    67    70    50.00000  109.50000
   62    60    61    33.00000  107.80000
   67    60    61    37.50000  110.70000
   67    60    62    37.50000  110.70000
   67    69    39    65.00000  117.92700
   67    69    72    70.00000  124.00000
   67    70    71    55.00000  108.50000
   69    67    68    35.00000  109.50000
   69    39    40    35.00000  109.50000
   69    39    41    35.00000  109.50000
   69    72    73    35.00000  120.00000
   69    72    74    70.00000  124.00000
   39    33    37    63.00000  111.10000
   39    33    45    58.35000  112.70000
   41    39    40    33.00000  107.80000
   72    69    39    70.00000  124.00000
   72    74    75    35.00000  109.50000
   72    74    76    35.00000  109.50000
   72    74    77    35.00000  109.50000
   74    72    73    35.00000  117.00000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   70    67    68    35.00000  109.50000
   70    67    69    90.00000  110.39200
   52    47    48    37.50000  110.70000
   52    47    49    58.35000  112.70000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    63    58.35000  112.70000
   54    52    53    33.00000  107.80000
   57    52    53    37.50000  110.70000
   57    52    54    37.50000  110.70000
   57    63    64    37.50000  110.70000
   57    63    65    37.50000  110.70000
   57    63    66    37.50000  110.70000
   59    57    58    33.00000  107.80000
   63    57    58    37.50000  110.70000
   63    57    59    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    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    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    42   0.40000  1.0 3.0
   29    33    45    43   0.56750  1.0 1.0
   29    33    45    43  -0.07550 -1.0 2.0
   29    33    45    43   0.20000  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   29    33    45    47   0.44750  1.0 1.0
   29    33    45    47  -0.17800 -1.0 2.0
   29    33    45    47   0.20200  1.0 3.0
   29    33    39    69   0.56750  1.0 1.0
   29    33    39    69  -0.07550 -1.0 2.0
   29    33    39    69   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    37   -42    43   2.00000 -1.0 2.0
   33    45    47    48   0.15000  1.0 3.0
   33    45    47    49   0.56750  1.0 1.0
   33    45    47    49  -0.07550 -1.0 2.0
   33    45    47    49   0.20000  1.0 3.0
   33    45    47    52   0.56750  1.0 1.0
   33    45    47    52  -0.07550 -1.0 2.0
   33    45    47    52   0.20000  1.0 3.0
   37    33   -45    43   0.11950  1.0 1.0
   37    33   -45    43   0.20300 -1.0 2.0
   37    33   -45    43  -0.70800  1.0 3.0
   37    33    45    46  -0.11250  1.0 3.0
   37    33    45    47  -0.95700  1.0 1.0
   37    33    45    47  -0.18200 -1.0 2.0
   37    33    45    47   0.29450  1.0 3.0
   37    33    39    69  -0.98800  1.0 1.0
   37    33    39    69   0.48800 -1.0 2.0
   37    33    39    69   0.76800  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    42    43    44   3.00000 -1.0 2.0
   37    42   -43    45   2.00000 -1.0 2.0
   38    37    42    43   3.00000 -1.0 2.0
   42    43   -45    33   0.36750  1.0 3.0
   42    43    45    46   0.00000  1.0 1.0
   42    43    45    47   0.36750  1.0 3.0
   43    45    47    48  -0.11250  1.0 3.0
   43    45    47    49  -0.95700  1.0 1.0
   43    45    47    49  -0.18200 -1.0 2.0
   43    45    47    49   0.29450  1.0 3.0
   43    45    47    52  -0.95700  1.0 1.0
   43    45    47    52  -0.18200 -1.0 2.0
   43    45    47    52   0.29450  1.0 3.0
   44    43    45    33   0.30150 -1.0 2.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.30150 -1.0 2.0
   45    33    37    38   0.30150 -1.0 2.0
   45    33   -37    42   0.36750  1.0 3.0
   45    33    39    69   0.34400  1.0 1.0
   45    33    39    69   0.09450 -1.0 2.0
   45    33    39    69   0.11100  1.0 3.0
   45    33    39    40   0.15000  1.0 3.0
   45    33    39    41   0.15000  1.0 3.0
   45    47    49    50   0.62750  1.0 1.0
   45    47    49    50  -0.30950 -1.0 2.0
   45    47    49    50   0.27300  1.0 3.0
   45    47    49    51   0.15000  1.0 3.0
   45    47    49    55  -0.95700  1.0 1.0
   45    47    49    55  -0.18200 -1.0 2.0
   45    47    49    55   0.29450  1.0 3.0
   45    47    52    53   0.15000  1.0 3.0
   45    47    52    54   0.15000  1.0 3.0
   45    47    52    57   0.56750  1.0 1.0
   45    47    52    57  -0.07550 -1.0 2.0
   45    47    52    57   0.20000  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    49   0.15000  1.0 3.0
   46    45    47    52   0.15000  1.0 3.0
   47    49    55    56   0.30150 -1.0 2.0
   47    49    55    60   0.60050  1.0 1.0
   47    49    55    60   0.05600 -1.0 2.0
   47    49    55    60   0.26150  1.0 3.0
   47    52    57    58   0.15000  1.0 3.0
   47    52    57    59   0.15000  1.0 3.0
   47    52    57    63   0.56750  1.0 1.0
   47    52    57    63  -0.07550 -1.0 2.0
   47    52    57    63   0.20000  1.0 3.0
   48    47    49    50   0.23400  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    55  -0.11250  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    54   0.15000  1.0 3.0
   48    47    52    57   0.15000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    54   0.15000  1.0 3.0
   49    47    52    57   0.56750  1.0 1.0
   49    47    52    57  -0.07550 -1.0 2.0
   49    47    52    57   0.20000  1.0 3.0
   49    55    60    61   0.00000  1.0 1.0
   49    55    60    62   0.00000  1.0 1.0
   49    55    60    67   0.60050  1.0 1.0
   49    55    60    67   0.05600 -1.0 2.0
   49    55    60    67   0.26150  1.0 3.0
   50    49    55    56   0.30150 -1.0 2.0
   50    49    55    60   0.55300  1.0 1.0
   50    49    55    60   1.25850 -1.0 2.0
   50    49    55    60  -0.23600  1.0 3.0
   51    49    55    56   0.00000  1.0 1.0
   51    49    55    60   0.00000  1.0 1.0
   55    60    67    68  -0.11250  1.0 3.0
   55    60    67    69  -0.98800  1.0 1.0
   55    60    67    69   0.48800 -1.0 2.0
   55    60    67    69   0.76800  1.0 3.0
   55    60    67    70  -0.09450  1.0 1.0
   55    60    67    70  -1.12950 -1.0 2.0
   55    60    67    70   0.54000  1.0 3.0
   56    55    60    61   0.00000  1.0 1.0
   56    55    60    62   0.00000  1.0 1.0
   56    55    60    67   0.30150 -1.0 2.0
   60    67    69    39   0.46850  1.0 1.0
   60    67    69    39   0.08550 -1.0 2.0
   60    67    69    39   0.09800  1.0 3.0
   60    67    69    72   0.09850  1.0 1.0
   60    67    69    72   0.15250 -1.0 2.0
   60    67    69    72  -0.50650  1.0 3.0
   60    67    70    71  -0.11600  1.0 1.0
   60    67    70    71  -0.09450 -1.0 2.0
   60    67    70    71   0.21250  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   0.23400  1.0 3.0
   62    60    67    68   0.15000  1.0 3.0
   62    60    67    69   0.15000  1.0 3.0
   62    60    67    70   0.23400  1.0 3.0
   67    69    39    33   0.46850  1.0 1.0
   67    69    39    33   0.08550 -1.0 2.0
   67    69    39    33   0.09800  1.0 3.0
   67    69    39    40   0.34800  1.0 3.0
   67    69    39    41   0.34800  1.0 3.0
   67    69    72    73   7.00000 -1.0 2.0
   67    69    72    74   7.00000 -1.0 2.0
   68    67    69    39   0.34800  1.0 3.0
   68    67    69    72   0.00000  1.0 1.0
   68    67    70    71   0.19450  1.0 3.0
   69    67    70    71  -0.07800  1.0 1.0
   69    67    70    71  -0.21500 -1.0 2.0
   69    67    70    71  -0.03150  1.0 3.0
   69    72    74    75   0.00000  1.0 1.0
   69    72    74    76   0.00000  1.0 1.0
   69    72    74    77   0.00000  1.0 1.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    42   0.36750  1.0 3.0
   39    33    45    43  -0.95700  1.0 1.0
   39    33    45    43  -0.18200 -1.0 2.0
   39    33    45    43   0.29450  1.0 3.0
   39    33    45    46   0.15000  1.0 3.0
   39    33    45    47   0.56750  1.0 1.0
   39    33    45    47  -0.07550 -1.0 2.0
   39    33    45    47   0.20000  1.0 3.0
   39    69    72    73   7.00000 -1.0 2.0
   39    69    72    74   7.00000 -1.0 2.0
   72    69    39    33   0.09850  1.0 1.0
   72    69    39    33   0.15250 -1.0 2.0
   72    69    39    33  -0.50650  1.0 3.0
   72    69    39    40   0.00000  1.0 1.0
   72    69    39    41   0.00000  1.0 1.0
   73    72    74    75   0.33100  1.0 3.0
   73    72    74    76   0.33100  1.0 3.0
   73    72    74    77   0.33100  1.0 3.0
   70    67    69    39   0.18000  1.0 1.0
   70    67    69    39   0.16450 -1.0 2.0
   70    67    69    39   0.04450  1.0 3.0
   70    67    69    72   0.67800  1.0 1.0
   70    67    69    72   0.47050 -1.0 2.0
   70    67    69    72  -0.62500  1.0 3.0
   52    47    49    50   0.62750  1.0 1.0
   52    47    49    50  -0.30950 -1.0 2.0
   52    47    49    50   0.27300  1.0 3.0
   52    47    49    51   0.15000  1.0 3.0
   52    47    49    55  -0.95700  1.0 1.0
   52    47    49    55  -0.18200 -1.0 2.0
   52    47    49    55   0.29450  1.0 3.0
   52    57    63    64   0.15000  1.0 3.0
   52    57    63    65   0.15000  1.0 3.0
   52    57    63    66   0.15000  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    59   0.15000  1.0 3.0
   53    52    57    63   0.15000  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    59   0.15000  1.0 3.0
   54    52    57    63   0.15000  1.0 3.0
   58    57    63    64   0.15000  1.0 3.0
   58    57    63    65   0.15000  1.0 3.0
   58    57    63    66   0.15000  1.0 3.0
   59    57    63    64   0.15000  1.0 3.0
   59    57    63    65   0.15000  1.0 3.0
   59    57    63    66   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    38  10.50000 -1.0 2.0
   42    45    43    44  10.50000 -1.0 2.0
   49    60    55    56  10.50000 -1.0 2.0
   67    39    69    72   1.10000 -1.0 2.0
   74    73    72    69   1.10000 -1.0 2.0
END
