* LIGAND DATABASE FILE (OPLS2005)
*
001      85    86    157    231     452
    1     0 S   NP   _N1_     1    29.02289    93.72675   -23.53700
    2     1 S   H    _HN1     2     1.02826    23.95705  -177.21027
    3     1 S   H    _H1_     3     1.02782   107.53600   -82.49556
    4     1 S   H    _H2_     4     1.02952    84.95678    25.16767
    5     1 S   CT   _CA1     5     1.50114   129.05028   137.44202
    6     5 S   HC   _HA1     6     1.09573   105.21423    77.24567
    7     5 S   CO3  _C1_     7     1.53787   112.41401   -42.99356
    8     7 S   O2Z  _O11     8     1.26369   115.00769   -43.45370
    9     7 S   O2Z  _O12     9     1.26239   114.94191   135.67133
   10     5 S   CT   _CB1    10     1.53076   107.41723  -164.79704
   11    10 S   HC   HB11    11     1.09833   109.37121   -50.07685
   12    10 S   HC   HB12    12     1.09818   110.43653    66.50545
   13    10 S   CT   _CG1    13     1.53001   112.63048  -171.09784
   14    13 S   HC   HG11    14     1.09584   110.57623   -64.85651
   15    13 S   HC   HG12    15     1.09663   109.87727    54.41032
   16    13 S   C    _CD1    16     1.51768   112.20414   174.81927
   17    16 S   O    _OE1    17     1.22727   123.23781     4.14288
   18    16 S   N    _N2_    18     1.38631   111.70954  -176.06179
   19    18 S   H    _HN2    19     1.01597   119.03999     0.15702
   20    18 S   CT1  _CA2    20     1.46073   123.21552   178.25101
   21    20 S   HC   _HA2    21     1.09479   108.82014   -11.72844
   22    20 S   C    _C2_    22     1.53282   108.29397  -126.23581
   23    22 S   O    _O2_    23     1.22991   122.52452  -145.15544
   24    20 S   CT   _CB2    32     1.53388   111.91399   110.79372
   25    24 S   HC   HB21    33     1.09634   109.69366    56.50991
   26    24 S   HC   HB22    34     1.09510   111.26706   174.26872
   27    22 S   N    _N3_    24     1.38406   113.22133    42.59183
   28    27 S   H    _HN3    25     1.01656   119.52808    -4.31779
   29    24 S   S    _SG2    35     1.83030   113.54559   -63.05677
   30    27 S   CT   _CA3    26     1.45279   123.08082   176.65134
   31    30 S   HC   HA31    27     1.09555   107.77456   -57.46634
   32    30 S   HC   HA32    28     1.09551   107.71880    58.89776
   33    29 S   CT   _C21    36     1.83965   100.10474   -74.14461
   34    33 S   HC   _H3_    37     1.09417   107.90616    26.52750
   35    30 S   CO3  _C3_    29     1.52912   114.10181  -179.48528
   36    35 S   O2Z  _O31    30     1.26363   116.02582    -5.54404
   37    35 S   O2Z  _O32    31     1.26426   114.42592   174.60384
   38    33 S   CT   _C17    38     1.52916   108.92826   -89.73716
   39    38 S   HC   _H42    39     1.09530   112.37432   -58.93809
   40    38 S   HC   _H43    40     1.09511   110.72647  -179.46186
   41    38 S   HC   _H44    41     1.09576   111.13549    61.90758
   42    33 S   CT   _C20    42     1.54678   109.94634   144.45531
   43    42 S   HC   _H49    43     1.10006   110.20922   -45.58225
   44    42 S   CO4  _C9_    44     1.52483   108.05304  -160.28917
   45    44 S   O    _O21    45     1.22346   125.24577   -98.63446
   46    42 S   CT   _C19    81     1.53243   114.92409    76.13512
   47    46 S   HC   _H47    82     1.09481   112.20820    71.91074
   48    46 S   HC   _H48    83     1.09395   111.30135   -50.14189
   49    44 S   OS   _O24    46     1.36573   109.12884    79.07815
   50    46 S   OH   _O22    84     1.42509   109.05153  -168.43321
   51    50 S   HO   _H51    85     0.97254   107.04258  -179.93147
   52    49 S   CT   _C18    47     1.43451   115.96203  -172.96525
   53    52 S   HC   _H45    48     1.09563   108.68848   -73.05525
   54    52 S   HC   _H46    49     1.09457   109.81153    46.16565
   55    52 S   CM   _C5_    50     1.48922   108.56552   165.98763
   56    55 S   CM   _C4_    51     1.33641   127.21383   132.95288
   57    56 S   HC   _H26    52     1.08029   125.14064     0.58884
   58    56 S   CT   _C10    53     1.49296   111.10655  -178.98509
   59    58 S   HC   _H28    54     1.09515   109.73023   117.02729
   60    58 S   HC   _H29    55     1.09552   110.52147  -124.01943
   61    58 S   NT   _N19    56     1.47573   106.14538    -0.86908
   62    61 S   CT   _C12    57     1.46649   113.43531  -116.07076
   63    62 S   HC   _H32    58     1.09756   112.44960    30.69781
   64    62 S   HC   _H33    59     1.09401   111.33475   -91.32688
   65    62 S   CT   _C11    60     1.52071   103.37018   148.47341
   66    65 S   HC   _H30    61     1.09580   110.29044    75.06348
   67    65 S   HC   _H31    62     1.09391   111.28364  -163.85743
   68    65 S   CT   _C14    63     1.52366   102.27110   -42.41371
   69    68 S   HC   _H35    64     1.09599   112.34180   156.52935
   70    55 S   CT   _C13    65     1.49680   122.92289   -45.35879
   71    70 S   HC   _H34    66     1.09629   109.76387    65.86818
   72    68 S   OS   _O23    67     1.44140   109.00849   -80.71070
   73    72 S   CO4  _C8_    68     1.35887   116.64489   -86.10015
   74    73 S   O    _O20    69     1.22130   126.92212    -1.70456
   75    73 S   CM   _C7_    70     1.48383   108.68056   178.24900
   76    75 S   CM   _C6_    71     1.34469   120.29617  -132.29823
   77    76 S   HC   _H27    72     1.08921   117.84353  -177.84550
   78    75 S   CT   _C16    77     1.49918   117.05932    49.79177
   79    78 S   HC   _H39    78     1.09476   110.74895   -68.79267
   80    78 S   HC   _H40    79     1.09503   110.36783    51.52367
   81    78 S   HC   _H41    80     1.09522   111.95855   171.11062
   82    76 S   CT   _C15    73     1.49593   128.14440     3.79653
   83    82 S   HC   _H36    74     1.09405   109.94933  -110.01400
   84    82 S   HC   _H37    75     1.09501   109.35588   131.46138
   85    82 S   HC   _H38    76     1.09253   113.51706    12.01587
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  14   8   2   1   1   7   3   2   1  10   7  10   3   5   3   2
   6   1   1  10   4   3  13   9   5  10   4   3  11  10   6   5
   8   5   4   7   4   3   1   5   9   3  10   9   5   4   2   1
   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    49    46    47    48    50  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    49    52    46    47    48    50    51  
   44    45    49    46    47    48    50  
   45    49    52    53    54    55    46    47    48    50  
   49    52    46  
   47    48    50    51    49  
   48    50    51  
   50    51  
   52    53    54    55    56    70  
   51  
    0  
   53    54    55    56    57    58    61    68    70    71  
   54    55    56    70  
   55    56    70  
   56    57    58    59    60    61    62    65    68    69    70    71    72  
   57    58    59    60    61    62    68    70    71  
   58    59    60    61    70  
   59    60    61    62    63    64    65    68    70    71  
   60    61    62    70  
   61    62    70  
   62    63    64    65    66    67    68    69    70    71    72  
   63    64    65    66    67    68    69    70    71    72  
   64    65    66    67    68    70  
   65    66    67    68    70  
   66    67    68    69    70    71    72    73  
   67    68    69    70    72  
   68    69    70    72  
   69    70    71    72    73    74    75  
   70    71    72    73  
   71    72    73  
   72  
   73    74    75    76    78  
   74    75    76    77    82    78    79    80    81  
   75    76    78  
   76    77    82    83    84    85    78    79    80    81  
   77    82    83    84    85    78    79    80    81  
   82    83    84    85    78  
   79    80    81    82  
   80    81  
   81  
    0  
   83    84    85  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660   0.145000   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   62   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.180000   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
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    49   214.000  1.327
   49    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   317.000  1.510
   55    56   549.000  1.340
   55    70   317.000  1.510
   56    57   340.000  1.080
   56    58   317.000  1.510
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   382.000  1.448
   61    62   382.000  1.448
   61    70   382.000  1.448
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    72   320.000  1.410
   70    71   340.000  1.090
   72    73   214.000  1.327
   73    74   570.000  1.229
   73    75   320.000  1.462
   75    76   549.000  1.340
   75    78   317.000  1.510
   76    77   340.000  1.080
   76    82   317.000  1.510
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    50   320.000  1.410
   50    51   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    49    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    50    50.00000  109.50000
   44    42    43    35.00000  109.50000
   44    49    52    83.00000  116.90000
   49    44    45    83.00000  123.40000
   49    52    53    35.00000  109.50000
   49    52    54    35.00000  109.50000
   49    52    55    85.00000  110.90400
   52    55    56    70.00000  124.00000
   52    55    70    65.00000  117.92700
   54    52    53    33.00000  107.80000
   55    52    53    35.00000  109.50000
   55    52    54    35.00000  109.50000
   55    56    57    35.00000  120.00000
   55    56    58    70.00000  124.00000
   55    70    61    75.00000  110.70900
   55    70    68    70.00000  112.02700
   55    70    71    35.00000  109.50000
   56    58    59    35.00000  109.50000
   56    58    60    35.00000  109.50000
   56    58    61    75.00000  110.70900
   58    56    57    35.00000  117.00000
   58    61    62    51.80000  107.20000
   58    61    70    51.80000  107.20000
   60    58    59    33.00000  107.80000
   61    58    59    35.00000  109.50000
   61    58    60    35.00000  109.50000
   61    62    63    35.00000  109.50000
   61    62    64    35.00000  109.50000
   61    62    65    56.20000  109.47000
   61    70    68    56.20000  109.47000
   61    70    71    35.00000  109.50000
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    70    58.35000  112.70000
   65    68    72    50.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    70    71    37.50000  110.70000
   68    72    73    83.00000  116.90000
   70    55    56    70.00000  124.00000
   70    61    62    51.80000  107.20000
   70    68    69    37.50000  110.70000
   72    68    69    35.00000  109.50000
   72    68    70    50.00000  109.50000
   72    73    74    83.00000  123.40000
   72    73    75    90.00000  111.29400
   73    75    76    65.00000  118.96000
   73    75    78    65.00000  116.34900
   75    73    74    80.00000  123.72100
   75    76    77    35.00000  120.00000
   75    76    82    70.00000  124.00000
   75    78    79    35.00000  109.50000
   75    78    80    35.00000  109.50000
   75    78    81    35.00000  109.50000
   76    82    83    35.00000  109.50000
   76    82    84    35.00000  109.50000
   76    82    85    35.00000  109.50000
   82    76    77    35.00000  117.00000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   78    75    76    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   46    50    51    55.00000  108.50000
   48    46    47    33.00000  107.80000
   50    46    47    35.00000  109.50000
   50    46    48    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    49   0.36750  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    50   0.86500  1.0 1.0
   33    42    46    50  -0.17500 -1.0 2.0
   33    42    46    50   0.20800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    49    52   1.63150  1.0 1.0
   42    44    49    52   2.92000 -1.0 2.0
   42    46    50    51  -0.11600  1.0 1.0
   42    46    50    51  -0.09450 -1.0 2.0
   42    46    50    51   0.21250  1.0 3.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    49   0.00000  1.0 1.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    50   0.23400  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    50  -0.09450  1.0 1.0
   44    42    46    50  -1.12950 -1.0 2.0
   44    42    46    50   0.54000  1.0 3.0
   44    49    52    53   0.08050  1.0 3.0
   44    49    52    54   0.08050  1.0 3.0
   44    49    52    55  -0.82050  1.0 1.0
   44    49    52    55   0.00600 -1.0 2.0
   44    49    52    55   0.04400  1.0 3.0
   45    44    49    52   3.00000 -1.0 2.0
   49    52    55    56   0.39000  1.0 1.0
   49    52    55    56  -0.05800 -1.0 2.0
   49    52    55    56  -0.55150  1.0 3.0
   49    52    55    70   0.09700  1.0 1.0
   49    52    55    70   0.15600 -1.0 2.0
   49    52    55    70  -0.50800  1.0 3.0
   52    55    56    57   7.00000 -1.0 2.0
   52    55    56    58   7.00000 -1.0 2.0
   52    55    70    61   0.52100  1.0 1.0
   52    55    70    61  -0.20350 -1.0 2.0
   52    55    70    61   0.29750  1.0 3.0
   52    55    70    68   0.46850  1.0 1.0
   52    55    70    68   0.08550 -1.0 2.0
   52    55    70    68   0.09800  1.0 3.0
   52    55    70    71   0.34800  1.0 3.0
   53    52    55    56   0.00000  1.0 1.0
   53    52    55    70   0.34800  1.0 3.0
   54    52    55    56   0.00000  1.0 1.0
   54    52    55    70   0.34800  1.0 3.0
   55    56    58    59   0.00000  1.0 1.0
   55    56    58    60   0.00000  1.0 1.0
   55    56   -58    61   0.90200  1.0 1.0
   55    56   -58    61   0.57900 -1.0 2.0
   55    56   -58    61  -0.62100  1.0 3.0
   56    55   -70    61   0.90200  1.0 1.0
   56    55   -70    61   0.57900 -1.0 2.0
   56    55   -70    61  -0.62100  1.0 3.0
   56    55    70    68   0.09850  1.0 1.0
   56    55    70    68   0.15250 -1.0 2.0
   56    55    70    68  -0.50650  1.0 3.0
   56    55    70    71   0.00000  1.0 1.0
   56    58    61    62  -0.60800  1.0 1.0
   56    58    61    62   1.10050 -1.0 2.0
   56    58    61    62   0.47000  1.0 3.0
   56    58   -61    70  -0.60800  1.0 1.0
   56    58   -61    70   1.10050 -1.0 2.0
   56    58   -61    70   0.47000  1.0 3.0
   57    56    58    59   0.33100  1.0 3.0
   57    56    58    60   0.33100  1.0 3.0
   57    56    58    61   0.00000  1.0 1.0
   58    61    62    63   0.28000  1.0 3.0
   58    61    62    64   0.28000  1.0 3.0
   58    61    62    65   0.23450  1.0 1.0
   58    61    62    65   0.02050 -1.0 2.0
   58    61    62    65   0.25250  1.0 3.0
   58    61   -70    55  -0.60800  1.0 1.0
   58    61   -70    55   1.10050 -1.0 2.0
   58    61   -70    55   0.47000  1.0 3.0
   58    61    70    68   0.23450  1.0 1.0
   58    61    70    68   0.02050 -1.0 2.0
   58    61    70    68   0.25250  1.0 3.0
   58    61    70    71   0.28000  1.0 3.0
   59    58    61    62   0.28000  1.0 3.0
   59    58    61    70   0.28000  1.0 3.0
   60    58    61    62   0.28000  1.0 3.0
   60    58    61    70   0.28000  1.0 3.0
   61    62    65    66   0.15000  1.0 3.0
   61    62    65    67   0.15000  1.0 3.0
   61    62   -65    68   1.53400  1.0 1.0
   61    62   -65    68  -0.09950 -1.0 2.0
   61    62   -65    68   0.05700  1.0 3.0
   62    61    70    55  -0.60800  1.0 1.0
   62    61    70    55   1.10050 -1.0 2.0
   62    61    70    55   0.47000  1.0 3.0
   62    61   -70    68   0.23450  1.0 1.0
   62    61   -70    68   0.02050 -1.0 2.0
   62    61   -70    68   0.25250  1.0 3.0
   62    61    70    71   0.28000  1.0 3.0
   62    65    68    69   0.15000  1.0 3.0
   62    65   -68    70   0.56750  1.0 1.0
   62    65   -68    70  -0.07550 -1.0 2.0
   62    65   -68    70   0.20000  1.0 3.0
   62    65    68    72   0.62750  1.0 1.0
   62    65    68    72  -0.30950 -1.0 2.0
   62    65    68    72   0.27300  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    68   0.15000  1.0 3.0
   65    68    70    55   0.34400  1.0 1.0
   65    68    70    55   0.09450 -1.0 2.0
   65    68    70    55   0.11100  1.0 3.0
   65    68   -70    61   1.53400  1.0 1.0
   65    68   -70    61  -0.09950 -1.0 2.0
   65    68   -70    61   0.05700  1.0 3.0
   65    68    70    71   0.15000  1.0 3.0
   65    68    72    73  -0.25900  1.0 1.0
   65    68    72    73  -0.47000 -1.0 2.0
   65    68    72    73   0.11750  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    72   0.23400  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    70   0.15000  1.0 3.0
   67    65    68    72   0.23400  1.0 3.0
   68    72    73    74   3.00000 -1.0 2.0
   68    72    73    75   2.00000 -1.0 2.0
   69    68    70    55   0.15000  1.0 3.0
   69    68    70    61   0.15000  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    72    73   0.08050  1.0 3.0
   70    55    56    57   7.00000 -1.0 2.0
   70    55   -56    58   7.00000 -1.0 2.0
   70    61    62    63   0.28000  1.0 3.0
   70    61    62    64   0.28000  1.0 3.0
   70    61   -62    65   0.23450  1.0 1.0
   70    61   -62    65   0.02050 -1.0 2.0
   70    61   -62    65   0.25250  1.0 3.0
   70    68    72    73  -0.25900  1.0 1.0
   70    68    72    73  -0.47000 -1.0 2.0
   70    68    72    73   0.11750  1.0 3.0
   72    68    70    55   0.61850  1.0 1.0
   72    68    70    55  -0.22750 -1.0 2.0
   72    68    70    55   0.15300  1.0 3.0
   72    68    70    61   1.74050  1.0 1.0
   72    68    70    71   0.23400  1.0 3.0
   72    73    75    76  -0.56150  1.0 1.0
   72    73    75    76   2.19150 -1.0 2.0
   72    73    75    78  -0.15000  1.0 1.0
   72    73    75    78   0.89550 -1.0 2.0
   72    73    75    78  -0.06900  1.0 3.0
   73    75    76    77   7.00000 -1.0 2.0
   73    75    76    82   7.00000 -1.0 2.0
   73    75    78    79   0.15000  1.0 3.0
   73    75    78    80   0.15000  1.0 3.0
   73    75    78    81   0.15000  1.0 3.0
   74    73    75    76   1.00000 -1.0 2.0
   74    73    75    78  -0.64400  1.0 1.0
   74    73    75    78   0.26850 -1.0 2.0
   75    76    82    83   0.00000  1.0 1.0
   75    76    82    84   0.00000  1.0 1.0
   75    76    82    85   0.00000  1.0 1.0
   76    75    78    79   0.00000  1.0 1.0
   76    75    78    80   0.00000  1.0 1.0
   76    75    78    81   0.00000  1.0 1.0
   77    76    82    83   0.33100  1.0 3.0
   77    76    82    84   0.33100  1.0 3.0
   77    76    82    85   0.33100  1.0 3.0
   78    75    76    77   7.00000 -1.0 2.0
   78    75    76    82   7.00000 -1.0 2.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    49   0.36750  1.0 3.0
   47    46    50    51   0.19450  1.0 3.0
   48    46    50    51   0.19450  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
   37    30    35    36  10.50000 -1.0 2.0
   42    49    44    45  10.50000 -1.0 2.0
   52    70    55    56   1.10000 -1.0 2.0
   58    57    56    55   1.10000 -1.0 2.0
   72    75    73    74  10.50000 -1.0 2.0
   73    78    75    76  15.00000 -1.0 2.0
   82    77    76    75  15.00000 -1.0 2.0
END
