* LIGAND DATABASE FILE (OPLS2005)
*
001      75    78    151    245     445
    1     0 S   NP   _N1_     1    30.32771    89.44886   -23.47956
    2     1 S   H    _HN1     2     1.02753    88.50756  -100.43308
    3     1 S   H    _H1_     3     1.03101   124.85025    10.61613
    4     1 S   H    _H2_     4     1.02826    22.08498    51.65338
    5     1 S   CT   _CA1     5     1.50166   110.67547   146.51734
    6     5 S   HC   _HA1     6     1.09553   105.44349    39.38019
    7     5 S   CO3  _C1_     7     1.53877   112.11243   -81.13446
    8     7 S   O2Z  _O11     8     1.26356   115.13235   -49.14768
    9     7 S   O2Z  _O12     9     1.26244   114.84025   129.98365
   10     5 S   CT   _CB1    10     1.52925   107.12036   157.44398
   11    10 S   HC   HB11    11     1.09831   109.70573   -50.11375
   12    10 S   HC   HB12    12     1.09678   109.78779    66.13472
   13    10 S   CT   _CG1    13     1.53029   113.36514  -171.71897
   14    13 S   HC   HG11    14     1.09555   110.51746   -52.66434
   15    13 S   HC   HG12    15     1.09557   110.45049    66.93046
   16    13 S   C    _CD1    16     1.51736   111.02871  -172.77588
   17    16 S   O    _OE1    17     1.22810   122.92085   -17.52736
   18    16 S   N    _N2_    18     1.38586   112.27729   162.32231
   19    18 S   H    _HN2    19     1.01568   119.36182     6.28410
   20    18 S   CT1  _CA2    20     1.46061   122.86188  -172.42065
   21    20 S   HC   _HA2    21     1.09650   109.00446     5.14647
   22    20 S   C    _C2_    22     1.53459   109.96855  -110.48034
   23    22 S   O    _O2_    23     1.23083   121.85127  -148.67238
   24    20 S   CT   _CB2    32     1.53677   111.84031   126.19304
   25    24 S   HC   HB21    33     1.09667   109.48917    73.58669
   26    24 S   HC   HB22    34     1.09592   110.36325  -169.64902
   27    22 S   N    _N3_    24     1.38381   113.88234    38.86139
   28    27 S   H    _HN3    25     1.01465   119.09502    -0.20367
   29    24 S   S    _SG2    35     1.83071   115.94052   -45.92916
   30    27 S   CT   _CA3    26     1.45454   123.33939   175.10667
   31    30 S   HC   HA31    27     1.09530   109.14673    26.59674
   32    30 S   HC   HA32    28     1.09494   107.14863   143.58016
   33    29 S   CT   _C18    36     1.82645   100.72662   -59.52706
   34    33 S   HC   _H3_    37     1.09498   108.65514   -64.18504
   35    33 S   HC   _H4_    38     1.09080   108.40797    53.61436
   36    30 S   CO3  _C3_    29     1.52931   113.15803   -96.82099
   37    36 S   O2Z  _O31    30     1.26401   115.41997   -44.50394
   38    36 S   O2Z  _O32    31     1.26360   114.97522   136.43526
   39    33 S   CT   _C7_    39     1.53013   110.19844   173.55828
   40    39 S   HC   _H25    40     1.09794   112.02632   -36.97641
   41    39 S   CO4  _C4_    41     1.50848   113.17730    84.72167
   42    41 S   O    _O16    42     1.22077   126.50527   -39.77097
   43    41 S   OS   _O17    43     1.36549   109.52827   141.82301
   44    43 S   CT   _C11    44     1.44255   110.53123    -0.25488
   45    44 S   HC   _H29    45     1.09375   106.71518    98.73440
   46    44 S   CT   _C6_    46     1.52394   106.95640  -141.91963
   47    46 S   HC   _H23    47     1.09979   108.53382    59.37525
   48    46 S   HC   _H24    48     1.09946   107.79489   -52.92011
   49    39 S   CT   _C8_    63     1.53514   112.48191  -161.20879
   50    49 S   HC   _H26    64     1.09980   108.27910   -38.37626
   51    46 S   CT   _C10    49     1.53974   117.59687  -175.80250
   52    51 S   HC   _H28    50     1.09610   108.51316    70.39221
   53    51 S   CT   _C9_    51     1.54686   113.86572   -52.08493
   54    53 S   HC   _H27    52     1.09983   108.07960   -52.77790
   55    51 S   CT   _C16    72     1.54270   106.63058  -175.33528
   56    55 S   HC   _H33    73     1.09551   111.14455    69.75344
   57    55 S   HC   _H34    74     1.09589   110.82904   -50.26870
   58    55 S   HC   _H35    75     1.09343   111.99395  -169.14569
   59    53 S   C3T  _C12    53     1.52246   113.11964  -171.21010
   60    59 S   HC   _H30    54     1.07754   118.98971   -13.42034
   61    59 S   C3T  _C13    55     1.49154   108.90046  -151.78267
   62    61 S   HC   _H31    56     1.07738   120.20595   141.33434
   63    61 S   CT   _C14    57     1.49642   107.76766     1.71406
   64    63 S   HC   _H32    58     1.09708   109.37155   -96.31042
   65    59 S   O3T  _O18    71     1.42927   115.48845   144.83914
   66    53 S   CT   _C15    59     1.57455   117.17945    70.48710
   67    63 S   OH   _O19    69     1.41899   111.12397   144.42127
   68    67 S   HO   _H41    70     0.97290   106.80786    63.10207
   69    66 S   CT   _C5_    60     1.54719   115.03897   -80.75399
   70    69 S   HC   _H21    61     1.09726   109.34134   -92.87214
   71    69 S   HC   _H22    62     1.09809   108.82353   153.76377
   72    66 S   CT   _C17    65     1.55158   112.23097    44.89406
   73    72 S   HC   _H36    66     1.09533   111.87285    53.64919
   74    72 S   HC   _H37    67     1.09189   112.34989   -67.07807
   75    72 S   HC   _H38    68     1.09608   111.33932   173.59439
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  14   7  15   6   5
   9   4  15   8  21   9   5   2   1   1  10   5   9   5  12   6
   2   9   3   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    69    49    50  
   35    39    40    41    49  
   39    40    41    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    66    69    70    71    49    50  
   41    42    43    44    69    49    50  
   42    43    44    45    46    69    49    50  
   43    44    49  
   44    45    46    47    48    51    69    49    50  
   45    46    47    48    51    52    53    66    69    70    71    49    50    55  
   46    47    48    51    69    49    50  
   47    48    51    52    53    54    59    66    69    49    50    55    56    57    58  
   48    51    52    53    49    55  
   51    52    53    49    55  
   50    72    51    53    63    66    69    70    71  
   66    69    70    71  
   52    53    54    59    60    61    63    66    69    72    65    55    56    57    58  
   53    54    59    66    55    56    57    58  
   54    59    60    61    62    63    64    66    69    70    71    72    73    74    75    67    65    55    56    57    58  
   59    60    61    63    66    69    72    65    55  
   56    57    58    59    66  
   57    58  
   58  
    0  
   60    61    62    63    64    66    69    72    67    65  
   61    62    63    66    65  
   62    63    64    66    69    72    67    68    65  
   63    64    66    67    65  
   64    66    69    70    71    72    73    74    75    67    68    65  
   66    69    72    67    68    65  
   66    67  
   69    70    71    72    73    74    75    67    68  
   68    69    72  
    0  
   70    71    72    73    74    75  
   71    72  
   72  
   73    74    75  
   74    75  
   75  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   66   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    49   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    55   268.000  1.529
   53    54   340.000  1.090
   53    59   275.000  1.510
   53    66   268.000  1.529
   59    60   340.000  1.088
   59    61   260.000  1.509
   59    65   335.000  1.432
   61    62   340.000  1.088
   61    63   275.000  1.510
   61    65   335.000  1.432
   63    64   340.000  1.090
   63    66   268.000  1.529
   63    67   320.000  1.410
   66    69   268.000  1.529
   66    72   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    49   268.000  1.529
   49    50   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   67    68   553.000  0.945
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    49    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    49    44    58.35000  112.70000
   39    49    69    58.35000  112.70000
   39    49    50    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    49    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    51    58.35000  112.70000
   44    49    69    58.35000  112.70000
   44    49    50    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    51    52    37.50000  110.70000
   46    51    53    58.35000  112.70000
   46    51    55    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    59    70.00000  112.37300
   51    53    66    58.35000  112.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    58    37.50000  110.70000
   53    51    52    37.50000  110.70000
   53    59    60    40.00000  115.04500
   53    59    61    60.00000  120.94000
   53    59    65    80.00000  116.47100
   53    66    63    58.35000  112.70000
   53    66    69    58.35000  112.70000
   53    66    72    58.35000  112.70000
   59    53    54    45.00000  109.38400
   59    61    62    37.50000  117.20000
   59    61    63    60.00000  120.94000
   59    61    65    15.00000   60.43100
   59    65    61    15.00000   59.14900
   61    59    60    37.50000  117.20000
   61    63    64    45.00000  109.38400
   61    63    66    70.00000  112.37300
   61    63    67    50.00000  109.50000
   63    61    62    40.00000  115.04500
   63    66    69    58.35000  112.70000
   63    66    72    58.35000  112.70000
   63    67    68    55.00000  108.50000
   66    53    54    37.50000  110.70000
   66    53    59    70.00000  112.37300
   66    63    64    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    49    58.35000  112.70000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    75    37.50000  110.70000
   69    49    50    37.50000  110.70000
   71    69    70    33.00000  107.80000
   49    39    40    37.50000  110.70000
   49    39    41    63.00000  111.10000
   49    44    45    37.50000  110.70000
   49    44    46    58.35000  112.70000
   49    69    70    37.50000  110.70000
   49    69    71    37.50000  110.70000
   72    66    69    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   67    63    64    35.00000  109.50000
   67    63    66    50.00000  109.50000
   65    59    60    50.00000  114.27700
   65    59    61    15.00000   60.43100
   65    61    62    50.00000  114.27700
   65    61    63    80.00000  116.47100
   55    51    52    37.50000  110.70000
   55    51    53    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    49   0.44750  1.0 1.0
   29    33    39    49  -0.17800 -1.0 2.0
   29    33    39    49   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    49    44   0.56750  1.0 1.0
   33    39    49    44  -0.07550 -1.0 2.0
   33    39    49    44   0.20000  1.0 3.0
   33    39    49    69   0.56750  1.0 1.0
   33    39    49    69  -0.07550 -1.0 2.0
   33    39    49    69   0.20000  1.0 3.0
   33    39    49    50   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    49   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    49   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    49    44   0.15000  1.0 3.0
   40    39    49    69   0.15000  1.0 3.0
   40    39    49    50   0.15000  1.0 3.0
   41    39   -49    44  -0.95700  1.0 1.0
   41    39   -49    44  -0.18200 -1.0 2.0
   41    39   -49    44   0.29450  1.0 3.0
   41    39    49    69  -0.95700  1.0 1.0
   41    39    49    69  -0.18200 -1.0 2.0
   41    39    49    69   0.29450  1.0 3.0
   41    39    49    50  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    49  -0.25900  1.0 1.0
   41    43   -44    49  -0.47000 -1.0 2.0
   41    43   -44    49   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    48   0.23400  1.0 3.0
   43    44    46    51   0.62750  1.0 1.0
   43    44    46    51  -0.30950 -1.0 2.0
   43    44    46    51   0.27300  1.0 3.0
   43    44   -49    39   0.62750  1.0 1.0
   43    44   -49    39  -0.30950 -1.0 2.0
   43    44   -49    39   0.27300  1.0 3.0
   43    44    49    69   0.62750  1.0 1.0
   43    44    49    69  -0.30950 -1.0 2.0
   43    44    49    69   0.27300  1.0 3.0
   43    44    49    50   0.23400  1.0 3.0
   44    46    51    52   0.15000  1.0 3.0
   44    46    51    53   0.56750  1.0 1.0
   44    46    51    53  -0.07550 -1.0 2.0
   44    46    51    53   0.20000  1.0 3.0
   44    46    51    55   0.56750  1.0 1.0
   44    46    51    55  -0.07550 -1.0 2.0
   44    46    51    55   0.20000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    51   0.15000  1.0 3.0
   45    44    49    39   0.15000  1.0 3.0
   45    44    49    69   0.15000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   46    44    49    39   0.56750  1.0 1.0
   46    44    49    39  -0.07550 -1.0 2.0
   46    44    49    39   0.20000  1.0 3.0
   46    44    49    69   0.56750  1.0 1.0
   46    44    49    69  -0.07550 -1.0 2.0
   46    44    49    69   0.20000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    51    53    54   0.15000  1.0 3.0
   46    51    53    59   0.47050  1.0 1.0
   46    51    53    59   0.03900 -1.0 2.0
   46    51    53    59   0.20100  1.0 3.0
   46    51    53    66   0.56750  1.0 1.0
   46    51    53    66  -0.07550 -1.0 2.0
   46    51    53    66   0.20000  1.0 3.0
   46    51    55    56   0.15000  1.0 3.0
   46    51    55    57   0.15000  1.0 3.0
   46    51    55    58   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    55   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    55   0.15000  1.0 3.0
   51    53    59    60   0.15000  1.0 3.0
   51    53    59    61   0.07850  1.0 1.0
   51    53    59    61  -0.03950 -1.0 2.0
   51    53    59    61   0.67350  1.0 3.0
   51    53    59    65   0.02550  1.0 1.0
   51    53    59    65  -0.02600 -1.0 2.0
   51    53    59    65   1.20400  1.0 3.0
   51    53    66    63   0.56750  1.0 1.0
   51    53    66    63  -0.07550 -1.0 2.0
   51    53    66    63   0.20000  1.0 3.0
   51    53    66    69   0.56750  1.0 1.0
   51    53    66    69  -0.07550 -1.0 2.0
   51    53    66    69   0.20000  1.0 3.0
   51    53    66    72   0.56750  1.0 1.0
   51    53    66    72  -0.07550 -1.0 2.0
   51    53    66    72   0.20000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    59   0.15000  1.0 3.0
   52    51    53    66   0.15000  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    58   0.15000  1.0 3.0
   53    51    55    56   0.15000  1.0 3.0
   53    51    55    57   0.15000  1.0 3.0
   53    51    55    58   0.15000  1.0 3.0
   53    59    61    62   0.15000  1.0 3.0
   53    59   -61    63   0.56750  1.0 1.0
   53    59   -61    63  -0.07550 -1.0 2.0
   53    59   -61    63   0.20000  1.0 3.0
   53    59   -61    65   0.02550  1.0 1.0
   53    59   -61    65  -0.02600 -1.0 2.0
   53    59   -61    65   1.20400  1.0 3.0
   53    59   -65    61   0.06250  1.0 1.0
   53    59   -65    61  -0.01100 -1.0 2.0
   53    59   -65    61   0.28050  1.0 3.0
   53    66    69    70   0.15000  1.0 3.0
   53    66    69    71   0.15000  1.0 3.0
   53    66    69    49   0.56750  1.0 1.0
   53    66    69    49  -0.07550 -1.0 2.0
   53    66    69    49   0.20000  1.0 3.0
   53    66    72    73   0.15000  1.0 3.0
   53    66    72    74   0.15000  1.0 3.0
   53    66    72    75   0.15000  1.0 3.0
   54    53    59    60   0.15000  1.0 3.0
   54    53    59    61   0.15000  1.0 3.0
   54    53    59    65   0.23400  1.0 3.0
   54    53    66    63   0.15000  1.0 3.0
   54    53    66    69   0.15000  1.0 3.0
   54    53    66    72   0.15000  1.0 3.0
   59    53   -66    63   0.47050  1.0 1.0
   59    53   -66    63   0.03900 -1.0 2.0
   59    53   -66    63   0.20100  1.0 3.0
   59    53    66    69   0.47050  1.0 1.0
   59    53    66    69   0.03900 -1.0 2.0
   59    53    66    69   0.20100  1.0 3.0
   59    53    66    72   0.47050  1.0 1.0
   59    53    66    72   0.03900 -1.0 2.0
   59    53    66    72   0.20100  1.0 3.0
   59    61    63    64   0.15000  1.0 3.0
   59    61   -63    66   0.07850  1.0 1.0
   59    61   -63    66  -0.03950 -1.0 2.0
   59    61   -63    66   0.67350  1.0 3.0
   59    61    63    67   0.86500  1.0 1.0
   59    61    63    67  -0.17500 -1.0 2.0
   59    61    63    67   0.20800  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    63   0.15000  1.0 3.0
   60    59   -61    65   0.23400  1.0 3.0
   60    59   -65    61   0.36800  1.0 3.0
   61    63   -66    53   0.47050  1.0 1.0
   61    63   -66    53   0.03900 -1.0 2.0
   61    63   -66    53   0.20100  1.0 3.0
   61    63    66    69   0.47050  1.0 1.0
   61    63    66    69   0.03900 -1.0 2.0
   61    63    66    69   0.20100  1.0 3.0
   61    63    66    72   0.47050  1.0 1.0
   61    63    66    72   0.03900 -1.0 2.0
   61    63    66    72   0.20100  1.0 3.0
   61    63    67    68  -0.11600  1.0 1.0
   61    63    67    68  -0.09450 -1.0 2.0
   61    63    67    68   0.21250  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    66   0.15000  1.0 3.0
   62    61    63    67   0.23400  1.0 3.0
   62    61   -65    59   0.36800  1.0 3.0
   63    61   -65    59   0.06250  1.0 1.0
   63    61   -65    59  -0.01100 -1.0 2.0
   63    61   -65    59   0.28050  1.0 3.0
   63    66    69    70   0.15000  1.0 3.0
   63    66    69    71   0.15000  1.0 3.0
   63    66    69    49   0.56750  1.0 1.0
   63    66    69    49  -0.07550 -1.0 2.0
   63    66    69    49   0.20000  1.0 3.0
   63    66    72    73   0.15000  1.0 3.0
   63    66    72    74   0.15000  1.0 3.0
   63    66    72    75   0.15000  1.0 3.0
   64    63    66    53   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   64    63    66    72   0.15000  1.0 3.0
   64    63    67    68   0.19450  1.0 3.0
   66    53    59    60   0.15000  1.0 3.0
   66    53   -59    61   0.07850  1.0 1.0
   66    53   -59    61  -0.03950 -1.0 2.0
   66    53   -59    61   0.67350  1.0 3.0
   66    53    59    65   0.02550  1.0 1.0
   66    53    59    65  -0.02600 -1.0 2.0
   66    53    59    65   1.20400  1.0 3.0
   66    63    67    68  -0.11600  1.0 1.0
   66    63    67    68  -0.09450 -1.0 2.0
   66    63    67    68   0.21250  1.0 3.0
   66    69    49    39   0.56750  1.0 1.0
   66    69    49    39  -0.07550 -1.0 2.0
   66    69    49    39   0.20000  1.0 3.0
   66    69    49    44   0.56750  1.0 1.0
   66    69    49    44  -0.07550 -1.0 2.0
   66    69    49    44   0.20000  1.0 3.0
   66    69    49    50   0.15000  1.0 3.0
   69    66    72    73   0.15000  1.0 3.0
   69    66    72    74   0.15000  1.0 3.0
   69    66    72    75   0.15000  1.0 3.0
   70    69    49    39   0.15000  1.0 3.0
   70    69    49    44   0.15000  1.0 3.0
   70    69    49    50   0.15000  1.0 3.0
   71    69    49    39   0.15000  1.0 3.0
   71    69    49    44   0.15000  1.0 3.0
   71    69    49    50   0.15000  1.0 3.0
   49    39    41    42   0.30150 -1.0 2.0
   49    39   -41    43   0.36750  1.0 3.0
   49    44    46    47   0.15000  1.0 3.0
   49    44    46    48   0.15000  1.0 3.0
   49    44    46    51   0.56750  1.0 1.0
   49    44    46    51  -0.07550 -1.0 2.0
   49    44    46    51   0.20000  1.0 3.0
   72    66    69    70   0.15000  1.0 3.0
   72    66    69    71   0.15000  1.0 3.0
   72    66    69    49   0.56750  1.0 1.0
   72    66    69    49  -0.07550 -1.0 2.0
   72    66    69    49   0.20000  1.0 3.0
   67    63    66    53   0.86500  1.0 1.0
   67    63    66    53  -0.17500 -1.0 2.0
   67    63    66    53   0.20800  1.0 3.0
   67    63    66    69   0.86500  1.0 1.0
   67    63    66    69  -0.17500 -1.0 2.0
   67    63    66    69   0.20800  1.0 3.0
   67    63    66    72   0.86500  1.0 1.0
   67    63    66    72  -0.17500 -1.0 2.0
   67    63    66    72   0.20800  1.0 3.0
   65    59   -61    62   0.23400  1.0 3.0
   65    59   -61    63   0.02550  1.0 1.0
   65    59   -61    63  -0.02600 -1.0 2.0
   65    59   -61    63   1.20400  1.0 3.0
   65    61    63    64   0.23400  1.0 3.0
   65    61   -63    66   0.02550  1.0 1.0
   65    61   -63    66  -0.02600 -1.0 2.0
   65    61   -63    66   1.20400  1.0 3.0
   65    61    63    67   3.69350  1.0 1.0
   65    61    63    67  -1.82950 -1.0 2.0
   55    51    53    54   0.15000  1.0 3.0
   55    51    53    59   0.47050  1.0 1.0
   55    51    53    59   0.03900 -1.0 2.0
   55    51    53    59   0.20100  1.0 3.0
   55    51    53    66   0.56750  1.0 1.0
   55    51    53    66  -0.07550 -1.0 2.0
   55    51    53    66   0.20000  1.0 3.0
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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
END
