* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    150    231     430
    1     0 S   NP   _N1_     1    28.24597    97.74703   -21.15615
    2     1 S   H    _HN1     2     1.02776    98.74664  -111.37658
    3     1 S   H    _H1_     3     1.02957    69.44103    -4.96562
    4     1 S   H    _H2_     4     1.02834    44.07359   141.87531
    5     1 S   CT   _CA1     5     1.50143   146.36843    91.21377
    6     5 S   HC   _HA1     6     1.09576   105.18578    94.27204
    7     5 S   CO3  _C1_     7     1.53771   112.39550   -25.86191
    8     7 S   O2Z  _O11     8     1.26367   114.98257   -42.64974
    9     7 S   O2Z  _O12     9     1.26236   114.93129   136.37811
   10     5 S   CT   _CB1    10     1.53093   107.41649  -147.83265
   11    10 S   HC   HB11    11     1.09830   109.26747   -50.37658
   12    10 S   HC   HB12    12     1.09815   110.44694    66.16375
   13    10 S   CT   _CG1    13     1.53031   112.71178  -171.44547
   14    13 S   HC   HG11    14     1.09591   110.51886   -65.86287
   15    13 S   HC   HG12    15     1.09662   109.87688    53.34510
   16    13 S   C    _CD1    16     1.51856   112.29513   173.67677
   17    16 S   O    _OE1    17     1.22759   123.27799     2.56636
   18    16 S   N    _N2_    18     1.38582   111.75610  -177.39398
   19    18 S   H    _HN2    19     1.01561   118.99695     4.10031
   20    18 S   CT1  _CA2    20     1.45814   122.80204   177.07578
   21    20 S   HC   _HA2    21     1.09739   108.91433    24.81943
   22    20 S   C    _C2_    22     1.52963   107.05061   -92.09233
   23    22 S   O    _O2_    23     1.22968   123.08819   -26.48966
   24    20 S   CT   _CB2    32     1.53268   112.30264   148.06086
   25    24 S   HC   HB21    33     1.09486   109.92641    52.90643
   26    24 S   HC   HB22    34     1.09426   109.78604   171.75055
   27    22 S   N    _N3_    24     1.38504   112.49365   156.23606
   28    27 S   H    _HN3    25     1.01652   120.32924    -2.11988
   29    24 S   S    _SG2    35     1.82752   110.86707   -67.89436
   30    27 S   CT   _CA3    26     1.45354   122.56423   178.55463
   31    30 S   HC   HA31    27     1.09565   107.86755   -55.01055
   32    30 S   HC   HA32    28     1.09563   107.57345    61.35420
   33    29 S   CT   _C5_    36     1.87301   100.96552  -173.48717
   34    30 S   CO3  _C3_    29     1.52911   114.25253  -176.88680
   35    34 S   O2Z  _O31    30     1.26349   116.03052     1.60852
   36    34 S   O2Z  _O32    31     1.26433   114.42843  -178.45313
   37    33 S   CT   _C6_    37     1.55894   107.64357   -64.77498
   38    37 S   HC   _H10    38     1.09546   111.02829   -42.90357
   39    37 S   HC   _H11    39     1.09571   109.96291    75.68163
   40    33 S   OS   _O33    76     1.44917   110.05838    48.84931
   41    37 S   S    _S1_    40     1.84260   118.17992  -164.42987
   42    40 S   CT   _C4_    77     1.42014   117.50921    72.38731
   43    42 S   HC   _H7_    78     1.09380   107.79833  -166.77737
   44    42 S   HC   _H8_    79     1.09317   110.56456    76.00761
   45    42 S   HC   _H9_    80     1.09272   112.26702   -47.79227
   46    41 S   C4T  _C7_    41     1.81141    98.67872    -8.48843
   47    46 S   HC   _H3_    42     1.09550   114.24052   -76.94856
   48    46 S   C4T  _C8_    43     1.55410   117.75638   146.82284
   49    48 S   HC   _H4_    44     1.09605   114.17584   130.68405
   50    46 S   N4   _N4_    47     1.45130   109.22265    50.28410
   51    48 S   C4   _C9_    45     1.55567    84.94156  -116.98894
   52    51 S   O    _O34    46     1.20856   136.47310  -176.70533
   53    33 S   CT1  _C10    48     1.55800   109.85460   172.78015
   54    53 S   HC   _H5_    49     1.09685   110.94576   -69.90527
   55    48 S   N    _N5_    53     1.47991   117.42815    -3.56145
   56    55 S   H    _H12    54     1.01802   118.64289   -80.95634
   57    53 S   CO3  _C11    50     1.55176   114.41467    50.42779
   58    57 S   O2Z  _O36    51     1.26311   116.17662    68.02503
   59    57 S   O2Z  _O35    52     1.26510   114.59267  -112.96912
   60    55 S   C    _C12    55     1.38637   122.71256    94.14048
   61    60 S   O    _O37    56     1.22965   124.59475     3.76738
   62    60 S   CT1  _C13    57     1.52609   113.04389  -175.28611
   63    62 S   HC   _H6_    58     1.09667   108.69067   -38.94751
   64    62 S   CM   _C14    59     1.51250   109.08693    82.35168
   65    62 S   NP   _N6_    72     1.49461   110.00912  -152.65378
   66    65 S   H    _H20    73     1.02895   111.42620   -56.26416
   67    65 S   H    _H21    74     1.02824   111.48790  -177.00030
   68    65 S   H    _H22    75     1.02859   111.10830    62.93231
   69    64 S   CM   _C15    60     1.34769   120.61626  -109.29740
   70    69 S   HC   _H13    61     1.08747   120.07749    -0.53008
   71    69 S   CT   _C16    62     1.50168   124.14310   178.41107
   72    71 S   HC   _H14    63     1.09597   108.72181  -121.60224
   73    71 S   HC   _H15    64     1.09579   108.82943   121.58940
   74    71 S   CM   _C17    65     1.49758   113.88975    -0.11364
   75    74 S   HC   _H16    66     1.08624   117.61313  -179.54072
   76    74 S   CM   _C18    67     1.33949   122.94381     0.37062
   77    76 S   HC   _H17    68     1.08647   119.25818  -179.94405
   78    64 S   CT   _C19    69     1.51593   118.10321    69.69409
   79    78 S   HC   _H18    70     1.09596   109.36586    60.89556
   80    78 S   HC   _H19    71     1.09578   109.48633   -56.80281
  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  11   5   4   3
  17   2   1   1  12   5   4   9   8   4   2   1   1  12   6  10
   6   8   7   2   4   3   7   3   2   1   1  10   4  13   7  15
   5   2   1   1  10   5   7   4   3   6   3   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    53    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    50    53    54    57    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    46    51    50    53    54    57    58    59    40    42    43    44    45  
   35    36  
   36  
    0  
   38    39    41    46    47    48    50    53    54    57    40    42  
   39    41    46    53    40  
   41    46    53    40  
   42    43    44    45    41    50    53    54    57  
   46    47    48    49    51    50    53    55  
   43    44    45    53  
   44    45  
   45  
    0  
   47    48    49    51    52    50    53    54    57    55    56    60  
   48    49    51    50    53    55  
   49    51    52    50    53    55    56    60    61    62  
   51    52    50    55    56    60  
   53    54    57    58    59    55    51    52  
   52    53    54    57    55    56    60  
   53    55  
   54    57    58    59  
   57    58    59  
   56    60    61    62    63    64    65  
   60    61    62  
   58    59  
   59  
    0  
   61    62    63    64    69    78    65    66    67    68  
   62    63    64    65  
   63    64    69    70    71    76    78    79    80    65    66    67    68  
   64    69    78    65    66    67    68  
   69    70    71    72    73    74    76    77    78    79    80    65    66    67    68  
   66    67    68    69    78  
   67    68  
   68  
    0  
   70    71    72    73    74    75    76    78    79    80  
   71    72    73    74    78  
   72    73    74    75    76    77    78  
   73    74    75    76  
   74    75    76  
   75    76    77    78    79    80  
   76    77    78  
   77    78    79    80  
   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  -0.316400   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   0.348900   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   0.047500   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   42   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   51   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   53   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   56   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   57   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   60   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   62   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   66   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   67   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   68   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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    53   268.000  1.529
   33    40   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    41   222.000  1.810
   41    46   200.000  1.824
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    50   305.000  1.456
   48    49   340.000  1.090
   48    51   250.000  1.540
   48    55   337.000  1.449
   51    52   930.000  1.212
   51    50   440.000  1.369
   50    53   337.000  1.449
   53    54   340.000  1.090
   53    57   317.000  1.522
   57    58   656.000  1.250
   57    59   656.000  1.250
   55    56   434.000  1.010
   55    60   490.000  1.335
   60    61   570.000  1.229
   60    62   317.000  1.522
   62    63   340.000  1.090
   62    64   317.000  1.510
   62    65   367.000  1.471
   64    69   549.000  1.340
   64    78   317.000  1.510
   69    70   340.000  1.080
   69    71   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   317.000  1.510
   74    75   340.000  1.080
   74    76   549.000  1.340
   76    77   340.000  1.080
   76    78   317.000  1.510
   78    79   340.000  1.090
   78    80   340.000  1.090
   65    66   434.000  1.010
   65    67   434.000  1.010
   65    68   434.000  1.010
   40    42   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    53    75.00000  108.68000
   29    33    40    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    41    75.00000  111.63000
   33    53    50    80.00000  109.70000
   33    53    54    37.50000  110.70000
   33    53    57    63.00000  111.10000
   33    40    42    60.00000  109.50000
   37    41    46    85.00000   99.86700
   39    37    38    33.00000  107.80000
   41    37    38    35.00000  109.50000
   41    37    39    35.00000  109.50000
   41    46    47    45.00000  109.41400
   41    46    48    65.00000  119.05700
   41    46    50    80.00000  108.62000
   46    48    49    37.50000  110.70000
   46    48    51   100.00000   86.36000
   46    48    55    80.00000  110.05700
   46    50    51   100.00000   93.00000
   46    50    53    50.00000  132.70000
   48    46    47    37.50000  110.70000
   48    51    52    60.00000  136.58000
   48    51    50    95.00000   92.72400
   48    55    56    38.00000  118.40000
   48    55    60    50.00000  121.90000
   51    48    49    40.00000  113.37500
   51    50    53    50.00000  132.10000
   50    46    47    50.00000  112.01000
   50    46    48   105.00000   87.49700
   50    51    52    75.00000  131.60000
   50    53    54    35.00000  109.50000
   50    53    57    63.00000  110.10000
   53    33    37    58.35000  112.70000
   53    57    58    70.00000  117.00000
   53    57    59    70.00000  117.00000
   57    53    54    35.00000  109.50000
   59    57    58    80.00000  126.00000
   55    48    49    50.00000  112.01000
   55    48    51    75.00000  110.24000
   55    60    61    80.00000  122.90000
   55    60    62    70.00000  116.60000
   60    55    56    35.00000  119.80000
   60    62    63    35.00000  109.50000
   60    62    64    70.00000  115.00700
   60    62    65    80.00000  111.20000
   62    60    61    80.00000  120.40000
   62    64    69    70.00000  124.00000
   62    64    78    65.00000  117.92700
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    68    35.00000  109.50000
   64    62    63    35.00000  109.50000
   64    69    70    35.00000  120.00000
   64    69    71    70.00000  124.00000
   64    78    76    70.00000  110.12100
   64    78    79    35.00000  109.50000
   64    78    80    35.00000  109.50000
   69    71    72    35.00000  109.50000
   69    71    73    35.00000  109.50000
   69    71    74    70.00000  110.12100
   71    69    70    35.00000  117.00000
   71    74    75    35.00000  117.00000
   71    74    76    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    35.00000  109.50000
   74    71    73    35.00000  109.50000
   74    76    77    35.00000  120.00000
   74    76    78    70.00000  124.00000
   76    74    75    35.00000  120.00000
   76    78    79    35.00000  109.50000
   76    78    80    35.00000  109.50000
   78    64    69    70.00000  124.00000
   78    76    77    35.00000  117.00000
   80    78    79    33.00000  107.80000
   65    62    63    35.00000  109.50000
   65    62    64    75.00000  110.06800
   67    65    66    35.00000  109.50000
   68    65    66    35.00000  109.50000
   68    65    67    35.00000  109.50000
   40    33    37    50.00000  109.50000
   40    33    53    50.00000  109.50000
   40    42    43    35.00000  109.50000
   40    42    44    35.00000  109.50000
   40    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    53    50   0.71400  1.0 1.0
   29    33    53    50   0.04300 -1.0 2.0
   29    33    53    50   0.01450  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    57  -2.17200  1.0 1.0
   29    33    53    57  -0.85700 -1.0 2.0
   29    33    40    42   0.14700  1.0 1.0
   29    33    40    42  -1.16150 -1.0 2.0
   29    33    40    42   0.48700  1.0 3.0
   33    37    41    46  -0.25000 -1.0 2.0
   33    37    41    46  -0.01800  1.0 3.0
   33    53    57    58   0.00000  1.0 1.0
   33    53    57    59   0.00000  1.0 1.0
   33    40    42    43   0.37050  1.0 3.0
   33    40    42    44   0.37050  1.0 3.0
   33    40    42    45   0.37050  1.0 3.0
   37    33    53    50   0.42250  1.0 1.0
   37    33    53    50  -0.48100 -1.0 2.0
   37    33    53    50   0.35650  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    57  -0.84850  1.0 1.0
   37    33    53    57  -0.22800 -1.0 2.0
   37    33    53    57   0.29250  1.0 3.0
   37    33    40    42   0.06250  1.0 1.0
   37    33    40    42  -0.01100 -1.0 2.0
   37    33    40    42   0.28050  1.0 3.0
   37    41    46    47   0.00000  1.0 1.0
   37    41    46    48   0.25150  1.0 1.0
   37    41    46    48  -1.17200 -1.0 2.0
   37    41    46    48   0.53050  1.0 3.0
   37    41   -46    50   0.01700  1.0 1.0
   37    41   -46    50  -0.23550 -1.0 2.0
   37    41   -46    50   0.21350  1.0 3.0
   38    37    41    46   0.32350  1.0 3.0
   39    37    41    46   0.32350  1.0 3.0
   41    46    48    49   0.00000  1.0 1.0
   41    46    48    51   0.00000  1.0 1.0
   41    46    48    55   0.00000  1.0 1.0
   41    46   -50    51   0.00000  1.0 1.0
   41    46    50    53   0.00000  1.0 1.0
   46    48    51    52  -0.11250  1.0 1.0
   46    48    51    52   0.11400 -1.0 2.0
   46    48    51    52  -0.28950  1.0 3.0
   46    48   -51    50   3.00000 -1.0 2.0
   46    48    55    56   0.00000  1.0 1.0
   46    48    55    60  -0.43950  1.0 1.0
   46    48    55    60  -0.08100 -1.0 2.0
   46    48    55    60   0.03350  1.0 3.0
   46    50   -53    33   0.00000  1.0 1.0
   46    50    53    54   0.00000  1.0 1.0
   46    50    53    57   0.00000  1.0 1.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    51   0.15000  1.0 3.0
   47    46    48    55   0.15000  1.0 3.0
   47    46   -50    51   0.00000  1.0 1.0
   47    46    50    53   0.00000  1.0 1.0
   48    46   -50    51   0.00000  1.0 1.0
   48    46    50    53   0.00000  1.0 1.0
   48    51   -50    46   3.00000 -1.0 2.0
   48    51   -50    53   3.00000 -1.0 2.0
   48    55    60    61   3.04450 -1.0 2.0
   48    55    60    62   1.15000  1.0 1.0
   48    55    60    62   3.04450 -1.0 2.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    50   0.00000  1.0 1.0
   49    48    55    56   0.00000  1.0 1.0
   49    48    55    60   0.00000  1.0 1.0
   51    48    55    56   0.00000  1.0 1.0
   51    48    55    60  -0.42300  1.0 1.0
   51    48    55    60  -0.07000 -1.0 2.0
   51    48    55    60   0.04150  1.0 3.0
   51    50    53    33   0.00000  1.0 1.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    57   0.00000  1.0 1.0
   52    51   -50    46   3.00000 -1.0 2.0
   52    51    50    53   3.00000 -1.0 2.0
   50    46   -48    49   0.15000  1.0 3.0
   50    46   -48    51   3.00000 -1.0 2.0
   50    46    48    55   2.20050  1.0 1.0
   50    46    48    55   0.63450 -1.0 2.0
   50    46    48    55  -0.91300  1.0 3.0
   50    53    57    58   0.00000  1.0 1.0
   50    53    57    59   0.00000  1.0 1.0
   53    33    37    38   0.15000  1.0 3.0
   53    33    37    39   0.15000  1.0 3.0
   53    33   -37    41   0.44750  1.0 1.0
   53    33   -37    41  -0.17800 -1.0 2.0
   53    33   -37    41   0.20200  1.0 3.0
   53    33    40    42   0.06250  1.0 1.0
   53    33    40    42  -0.01100 -1.0 2.0
   53    33    40    42   0.28050  1.0 3.0
   54    53    57    58   0.00000  1.0 1.0
   54    53    57    59   0.00000  1.0 1.0
   55    48    51    52   0.30150 -1.0 2.0
   55    48   -51    50   0.00000  1.0 1.0
   55    60    62    63   0.00000  1.0 1.0
   55    60    62    64   0.00000  1.0 1.0
   55    60    62    65   0.37150  1.0 1.0
   55    60    62    65   1.25400 -1.0 2.0
   55    60    62    65  -0.40250  1.0 3.0
   56    55    60    61   2.45000 -1.0 2.0
   56    55    60    62   2.45000 -1.0 2.0
   60    62    64    69  -0.51250  1.0 1.0
   60    62    64    69  -0.88800 -1.0 2.0
   60    62    64    69   0.08850  1.0 3.0
   60    62    64    78   0.17250  1.0 1.0
   60    62    64    78  -0.04100 -1.0 2.0
   60    62    64    78  -0.33850  1.0 3.0
   60    62    65    66   0.17350  1.0 3.0
   60    62    65    67   0.17350  1.0 3.0
   60    62    65    68   0.17350  1.0 3.0
   61    60    62    63   0.00000  1.0 1.0
   61    60    62    64   0.30150 -1.0 2.0
   61    60    62    65   0.00000  1.0 1.0
   62    64    69    70   7.00000 -1.0 2.0
   62    64    69    71   7.00000 -1.0 2.0
   62    64    78    76   0.09700  1.0 1.0
   62    64    78    76   0.15600 -1.0 2.0
   62    64    78    76  -0.50800  1.0 3.0
   62    64    78    79   0.34800  1.0 3.0
   62    64    78    80   0.34800  1.0 3.0
   63    62    64    69   0.00000  1.0 1.0
   63    62    64    78   0.34800  1.0 3.0
   63    62    65    66   0.13050  1.0 3.0
   63    62    65    67   0.13050  1.0 3.0
   63    62    65    68   0.13050  1.0 3.0
   64    62    65    66   0.17350  1.0 3.0
   64    62    65    67   0.17350  1.0 3.0
   64    62    65    68   0.17350  1.0 3.0
   64    69    71    72   0.00000  1.0 1.0
   64    69    71    73   0.00000  1.0 1.0
   64    69    71    74  -0.28300  1.0 1.0
   64    69    71    74   0.26700 -1.0 2.0
   64    69    71    74  -0.63300  1.0 3.0
   69    64    78    76  -0.28300  1.0 1.0
   69    64    78    76   0.26700 -1.0 2.0
   69    64    78    76  -0.63300  1.0 3.0
   69    64    78    79   0.00000  1.0 1.0
   69    64    78    80   0.00000  1.0 1.0
   69    71    74    75   0.00000  1.0 1.0
   69    71   -74    76  -0.28300  1.0 1.0
   69    71   -74    76   0.26700 -1.0 2.0
   69    71   -74    76  -0.63300  1.0 3.0
   70    69    71    72   0.33100  1.0 3.0
   70    69    71    73   0.33100  1.0 3.0
   70    69    71    74   0.00000  1.0 1.0
   71    74    76    77   7.00000 -1.0 2.0
   71    74    76    78   7.00000 -1.0 2.0
   72    71    74    75   0.33100  1.0 3.0
   72    71    74    76   0.00000  1.0 1.0
   73    71    74    75   0.33100  1.0 3.0
   73    71    74    76   0.00000  1.0 1.0
   74    76   -78    64  -0.28300  1.0 1.0
   74    76   -78    64   0.26700 -1.0 2.0
   74    76   -78    64  -0.63300  1.0 3.0
   74    76    78    79   0.00000  1.0 1.0
   74    76    78    80   0.00000  1.0 1.0
   75    74    76    77   7.00000 -1.0 2.0
   75    74    76    78   7.00000 -1.0 2.0
   77    76    78    64   0.00000  1.0 1.0
   77    76    78    79   0.33100  1.0 3.0
   77    76    78    80   0.33100  1.0 3.0
   78    64    69    70   7.00000 -1.0 2.0
   78    64   -69    71   7.00000 -1.0 2.0
   65    62    64    69   0.80850  1.0 1.0
   65    62    64    69  -0.47300 -1.0 2.0
   65    62    64    69  -0.52300  1.0 3.0
   65    62    64    78   0.52100  1.0 1.0
   65    62    64    78  -0.20350 -1.0 2.0
   65    62    64    78   0.29750  1.0 3.0
   40    33    37    38   0.23400  1.0 3.0
   40    33    37    39   0.23400  1.0 3.0
   40    33    37    41   0.56750  1.0 1.0
   40    33    37    41  -0.07550 -1.0 2.0
   40    33    37    41   0.20000  1.0 3.0
   40    33    53    50   1.12100  1.0 1.0
   40    33    53    50  -0.16500 -1.0 2.0
   40    33    53    54   0.23400  1.0 3.0
   40    33    53    57  -3.35100  1.0 1.0
   40    33    53    57  -0.37050 -1.0 2.0
   40    33    53    57   0.22400  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
   48    50    51    52  10.50000 -1.0 2.0
   53    51    50    46   1.00000 -1.0 2.0
   58    53    57    59  10.50000 -1.0 2.0
   56    60    55    48   1.00000 -1.0 2.0
   55    62    60    61  10.50000 -1.0 2.0
   62    78    64    69   1.10000 -1.0 2.0
   71    70    69    64   1.10000 -1.0 2.0
   71    75    74    76   1.10000 -1.0 2.0
   78    77    76    74   1.10000 -1.0 2.0
END
