* LIGAND DATABASE FILE (OPLS2005)
*
001      87    86    154    229     454
    1     0 S   NP   _N1_     1    28.73064    95.67140   -22.82121
    2     1 S   H    _HN1     2     1.02764    99.33441   -88.40517
    3     1 S   H    _H1_     3     1.02965    76.34036    18.39427
    4     1 S   H    _H2_     4     1.02849    36.76910   164.17543
    5     1 S   CT   _CA1     5     1.50137   142.28720   124.13610
    6     5 S   HC   _HA1     6     1.09581   105.18772    83.41564
    7     5 S   CO3  _C1_     7     1.53761   112.36933   -36.64169
    8     7 S   O2Z  _O11     8     1.26352   114.96562   -42.94755
    9     7 S   O2Z  _O12     9     1.26235   114.89490   136.11131
   10     5 S   CT   _CB1    10     1.53128   107.46681  -158.75868
   11    10 S   HC   HB11    11     1.09826   109.20560   -51.38815
   12    10 S   HC   HB12    12     1.09814   110.46306    65.13293
   13    10 S   CT   _CG1    13     1.53042   112.71520  -172.53208
   14    13 S   HC   HG11    14     1.09598   110.41513   -65.88200
   15    13 S   HC   HG12    15     1.09663   109.93108    53.29271
   16    13 S   C    _CD1    16     1.51875   112.43363   173.54448
   17    16 S   O    _OE1    17     1.22751   123.21308    -1.21531
   18    16 S   N    _N2_    18     1.38654   111.60762   179.46405
   19    18 S   H    _HN2    19     1.01597   118.91736     0.74651
   20    18 S   CT1  _CA2    20     1.46127   123.68027   179.20205
   21    20 S   HC   _HA2    21     1.09677   109.35404     0.81229
   22    20 S   C    _C2_    22     1.53482   109.01645  -114.99838
   23    22 S   O    _O2_    23     1.23061   122.22241  -146.98538
   24    20 S   CT   _CB2    32     1.53230   111.64626   122.79906
   25    24 S   HC   HB21    33     1.09583   110.09443    54.72863
   26    24 S   HC   HB22    34     1.09310   109.69757   173.63585
   27    22 S   N    _N3_    24     1.38514   113.94318    41.01500
   28    27 S   H    _HN3    25     1.01434   119.21994    -4.57286
   29    24 S   S    _SG2    35     1.82530   112.05992   -66.72083
   30    27 S   CT   _CA3    26     1.45468   122.37267   175.06751
   31    30 S   HC   HA31    27     1.09575   108.20692    43.19499
   32    30 S   HC   HA32    28     1.09474   107.14841   160.09698
   33    29 S   CT   _C16    36     1.86066    99.25822   172.98186
   34    33 S   HC   _H4_    37     1.09817   107.16923   -46.87393
   35    30 S   CO3  _C3_    29     1.53142   114.76345   -79.03095
   36    35 S   O2Z  _O31    30     1.26410   116.22533   -14.10459
   37    35 S   O2Z  _O32    31     1.26399   114.43417   166.70050
   38    33 S   C    _C15    38     1.53529   106.04718    70.96418
   39    38 S   O    _O34    39     1.23042   122.98918    71.04681
   40    33 S   CT   _C17    82     1.55458   111.60159  -168.38231
   41    40 S   OM   _O37    83     1.32760   109.65785    70.31201
   42    40 S   HC   _H5_    84     1.10099   107.22325   -62.31858
   43    38 S   N    _N8_    40     1.38817   112.85656  -107.55350
   44    43 S   H    _H29    41     1.01525   119.22672     1.82853
   45    40 S   CO3  _C18    85     1.56524   109.87610  -175.78439
   46    45 S   O2Z  _O36    86     1.26649   116.89468   -31.52994
   47    45 S   O2Z  _O35    87     1.26886   114.59426   146.96803
   48    43 S   CT1  _C8_    42     1.45462   122.65874   178.69134
   49    48 S   HC   _H3_    43     1.09488   109.45600    28.26965
   50    48 S   C    _C9_    44     1.53001   105.20575   -89.24684
   51    50 S   O    _O33    45     1.22920   122.68876   -78.71162
   52    48 S   CTD  _C7_    69     1.53453   111.52392   150.66414
   53    52 S   HC   _H13    70     1.09834   108.72043   175.43108
   54    52 S   HC   _H14    71     1.09877   109.41292    60.15943
   55    50 S   N    _N4_    46     1.38565   112.57402    97.10206
   56    55 S   H    _H15    47     1.01588   119.00473    -0.52823
   57    52 S   CT   _C5_    72     1.54281   114.70286   -61.72890
   58    57 S   HC   _H9_    73     1.09686   108.99599    60.59875
   59    55 S   CT   _C10    48     1.45103   123.63430  -177.45409
   60    59 S   HC   _H16    49     1.09508   106.37057  -140.28303
   61    59 S   HC   _H17    50     1.09508   109.83983   -23.30017
   62    57 S   CT   _C4_    74     1.52897   112.66351   -59.45107
   63    62 S   HC   _H6_    75     1.09514   111.25740   -55.01363
   64    62 S   HC   _H7_    76     1.09545   110.76682  -175.11360
   65    62 S   HC   _H8_    77     1.09418   111.36144    65.87456
   66    57 S   CT   _C6_    78     1.53113   109.67921   177.99611
   67    66 S   HC   _H10    79     1.09537   111.29465    62.28266
   68    66 S   HC   _H11    80     1.09521   110.82619  -177.48161
   69    66 S   HC   _H12    81     1.09516   110.82530   -58.01654
   70    59 S   CT   _C11    51     1.52697   111.01611    99.27784
   71    70 S   HC   _H18    52     1.09600   109.80152   -69.30235
   72    70 S   HC   _H19    53     1.09760   109.32269    47.28919
   73    70 S   CT   _C12    54     1.53047   111.36132   168.30472
   74    73 S   HC   _H20    55     1.09673   108.93158   -54.65866
   75    73 S   HC   _H21    56     1.09623   109.95304    62.77091
   76    73 S   CT   _C13    57     1.52708   111.90596  -174.34341
   77    76 S   HC   _H22    58     1.09421   109.55883    46.54840
   78    76 S   HC   _H23    59     1.09465   109.33969   166.34711
   79    76 S   NG   _N5_    60     1.46912   111.75278   -75.28845
   80    79 S   H    _H24    61     1.02241   119.94690   -20.39747
   81    79 S   CG   _C14    62     1.38426   123.56942   159.30759
   82    81 S   NG   _N7_    63     1.37771   118.82556   178.47813
   83    82 S   H    _H27    64     1.02024   119.85620    -2.14329
   84    82 S   H    _H28    65     1.01481   121.74304   177.41192
   85    81 S   NG   _N6_    66     1.37974   122.25061    -1.22541
   86    85 S   H    _H25    67     1.01588   120.67822  -178.41119
   87    85 S   H    _H26    68     1.01442   122.10831     0.94128
  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   9   5   4   3
  12   7   2   1   1  11   4   6   4   3  10   4   2   1   1  13
   7  11   4  13   5   4   8   4   9   8   9   5   4   7   3   2
   1   3   2   1   1   9   5   4   8   5   4   7   4   3   8   3
   6   5   2   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    48    40    41    42    45    46    47  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    48    49    50    52    40    41    42    45  
   43    44    48    40  
   41    42    45    46    47    43  
   42    45    46    47  
   45    46    47  
   44    48    49    50    51    55    52    53    54    57  
   48    49    50    52  
   46    47  
   47  
    0  
   49    50    51    55    56    59    52    53    54    57    58    62    66  
   50    51    55    52    53    54    57  
   51    55    56    59    60    61    70    52    53    54    57  
   55    56    59    52  
   53    54    57    58    62    63    64    65    66    67    68    69    55  
   54    57    58    62    66  
   57    58    62    66  
   56    59    60    61    70    71    72    73  
   59    60    61    70  
   58    62    63    64    65    66    67    68    69  
   62    63    64    65    66    67    68    69  
   60    61    70    71    72    73    74    75    76  
   61    70    71    72    73  
   70    71    72    73  
   63    64    65    66    67    68    69  
   64    65    66  
   65    66  
   66  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    75    76    77    78    79  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76    77    78    79    80    81  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79    80    81    82    85  
   78    79    80    81  
   79    80    81  
   80    81    82    83    84    85    86    87  
   81    82    85  
   82    83    84    85    86    87  
   83    84    85    86    87  
   84    85  
   85  
   86    87  
   87  
    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   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   44   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   45   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   56   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.143000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.2500   0.1700  -0.528167   2.1120   1.8750   0.051222218  -2.220205820
   80   0.5000   0.0300   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   81   2.2500   0.0500   0.837600   2.1120   1.8750   0.001000000  -0.126889456
   82   3.2500   0.1700  -0.913767   2.1120   1.8750   0.051222218  -2.220205820
   83   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   84   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.2500   0.1700  -0.913767   2.2900   2.0360   0.003973653   1.685851020
   86   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   87   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
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   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    43   490.000  1.335
   43    44   434.000  1.010
   43    48   337.000  1.449
   48    49   340.000  1.090
   48    50   317.000  1.522
   48    52   268.000  1.529
   50    51   570.000  1.229
   50    55   490.000  1.335
   55    56   434.000  1.010
   55    59   337.000  1.449
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   337.000  1.463
   79    80   434.000  1.010
   79    81   481.000  1.340
   81    82   481.000  1.340
   81    85   481.000  1.340
   82    83   434.000  1.010
   82    84   434.000  1.010
   85    86   434.000  1.010
   85    87   434.000  1.010
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    62   268.000  1.529
   57    66   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   40    41   570.000  1.307
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   656.000  1.250
   45    47   656.000  1.250
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    70.00000  112.33000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    43    70.00000  116.60000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    40    45    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    43    44    35.00000  119.80000
   38    43    48    50.00000  121.90000
   43    38    39    80.00000  122.90000
   43    48    49    35.00000  109.50000
   43    48    50    63.00000  110.10000
   43    48    52    80.00000  109.70000
   48    43    44    38.00000  118.40000
   48    50    51    80.00000  120.40000
   48    50    55    70.00000  116.60000
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   48    52    57    58.35000  112.70000
   50    48    49    35.00000  109.50000
   50    55    56    35.00000  119.80000
   50    55    59    50.00000  121.90000
   55    50    51    80.00000  122.90000
   55    59    60    35.00000  109.50000
   55    59    61    35.00000  109.50000
   55    59    70    70.00000  110.72300
   59    55    56    38.00000  118.40000
   59    70    71    37.50000  110.70000
   59    70    72    37.50000  110.70000
   59    70    73    58.35000  112.70000
   61    59    60    33.00000  107.80000
   70    59    60    37.50000  110.70000
   70    59    61    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    80.00000  111.20000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    79    80    35.00000  118.40000
   76    79    81    50.00000  123.20000
   78    76    77    33.00000  107.80000
   79    76    77    35.00000  109.50000
   79    76    78    35.00000  109.50000
   79    81    82    70.00000  120.00000
   79    81    85    70.00000  120.00000
   81    79    80    35.00000  120.00000
   81    82    83    35.00000  120.00000
   81    82    84    35.00000  120.00000
   81    85    86    35.00000  120.00000
   81    85    87    35.00000  120.00000
   84    82    83    35.00000  120.00000
   85    81    82    70.00000  120.00000
   87    85    86    35.00000  120.00000
   52    48    49    37.50000  110.70000
   52    48    50    63.00000  111.10000
   52    57    58    37.50000  110.70000
   52    57    62    58.35000  112.70000
   52    57    66    58.35000  112.70000
   54    52    53    33.00000  107.80000
   57    52    53    37.50000  110.70000
   57    52    54    37.50000  110.70000
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    65    37.50000  110.70000
   57    66    67    37.50000  110.70000
   57    66    68    37.50000  110.70000
   57    66    69    37.50000  110.70000
   62    57    58    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   66    57    58    37.50000  110.70000
   66    57    62    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    45    46    70.00000  117.00000
   40    45    47    70.00000  117.00000
   42    40    41    45.00000  125.66300
   45    40    41    85.00000  109.63000
   45    40    42    35.00000  109.50000
   47    45    46    80.00000  126.00000
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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    43   0.00000  1.0 1.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   2.45000 -1.0 2.0
   33    38    43    48   1.15000  1.0 1.0
   33    38    43    48   3.04450 -1.0 2.0
   33    40    45    46   0.41150 -1.0 2.0
   33    40    45    47   0.41150 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    45  -0.11250  1.0 3.0
   38    33    40    41  -0.09450  1.0 1.0
   38    33    40    41  -1.12950 -1.0 2.0
   38    33    40    41   0.54000  1.0 3.0
   38    33    40    42  -0.11250  1.0 3.0
   38    33    40    45  -0.30950  1.0 1.0
   38    33    40    45   1.11150 -1.0 2.0
   38    33    40    45   0.40350  1.0 3.0
   38    43    48    49   0.00000  1.0 1.0
   38    43    48    50  -0.29800  1.0 1.0
   38    43    48    50   0.13950 -1.0 2.0
   38    43    48    50  -2.45650  1.0 3.0
   38    43    48    52   0.25950  1.0 1.0
   38    43    48    52   0.43850 -1.0 2.0
   38    43    48    52   2.61650  1.0 3.0
   39    38    43    44   2.45000 -1.0 2.0
   39    38    43    48   3.04450 -1.0 2.0
   43    48    50    51   0.00000  1.0 1.0
   43    48    50    55   0.37150  1.0 1.0
   43    48    50    55   1.25400 -1.0 2.0
   43    48    50    55  -0.40250  1.0 3.0
   43    48    52    53   0.23200  1.0 3.0
   43    48    52    54   0.23200  1.0 3.0
   43    48    52    57   0.26400  1.0 1.0
   43    48    52    57   0.16150 -1.0 2.0
   43    48    52    57   0.25850  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50   0.00000  1.0 1.0
   44    43    48    52   0.00000  1.0 1.0
   48    50    55    56   2.45000 -1.0 2.0
   48    50    55    59   1.15000  1.0 1.0
   48    50    55    59   3.04450 -1.0 2.0
   48    52    57    58   0.15000  1.0 3.0
   48    52    57    62   0.65000  1.0 1.0
   48    52    57    62  -0.02500 -1.0 2.0
   48    52    57    62   0.10000  1.0 3.0
   48    52    57    66   0.65000  1.0 1.0
   48    52    57    66  -0.02500 -1.0 2.0
   48    52    57    66   0.10000  1.0 3.0
   49    48    50    51   0.00000  1.0 1.0
   49    48    50    55   0.00000  1.0 1.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    54   0.15000  1.0 3.0
   49    48    52    57   0.15000  1.0 3.0
   50    48    52    53  -0.03800  1.0 3.0
   50    48    52    54  -0.03800  1.0 3.0
   50    48    52    57  -0.45800  1.0 1.0
   50    48    52    57   0.20550 -1.0 2.0
   50    55    59    60   0.00000  1.0 1.0
   50    55    59    61   0.00000  1.0 1.0
   50    55    59    70  -0.43950  1.0 1.0
   50    55    59    70  -0.08100 -1.0 2.0
   50    55    59    70   0.03350  1.0 3.0
   51    50    55    56   2.45000 -1.0 2.0
   51    50    55    59   3.04450 -1.0 2.0
   55    59    70    71   0.15000  1.0 3.0
   55    59    70    72   0.15000  1.0 3.0
   55    59    70    73   0.43900  1.0 1.0
   55    59    70    73   0.49100 -1.0 2.0
   55    59    70    73   0.28400  1.0 3.0
   56    55    59    60   0.00000  1.0 1.0
   56    55    59    61   0.00000  1.0 1.0
   56    55    59    70   0.00000  1.0 1.0
   59    70    73    74   0.15000  1.0 3.0
   59    70    73    75   0.15000  1.0 3.0
   59    70    73    76   0.56750  1.0 1.0
   59    70    73    76  -0.07550 -1.0 2.0
   59    70    73    76   0.20000  1.0 3.0
   60    59    70    71   0.15000  1.0 3.0
   60    59    70    72   0.15000  1.0 3.0
   60    59    70    73   0.15000  1.0 3.0
   61    59    70    71   0.15000  1.0 3.0
   61    59    70    72   0.15000  1.0 3.0
   61    59    70    73   0.15000  1.0 3.0
   70    73    76    77   0.15000  1.0 3.0
   70    73    76    78   0.15000  1.0 3.0
   70    73    76    79   1.34550  1.0 1.0
   70    73    76    79  -0.31050 -1.0 2.0
   70    73    76    79   0.95500  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    76   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75   0.15000  1.0 3.0
   72    70    73    76   0.15000  1.0 3.0
   73    76    79    80  -0.09500  1.0 1.0
   73    76    79    80  -0.20850 -1.0 2.0
   73    76    79    80   0.20900  1.0 3.0
   73    76    79    81   0.25550 -1.0 2.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79  -0.29100  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78   0.15000  1.0 3.0
   75    73    76    79  -0.29100  1.0 3.0
   76    79    81    82   3.96800 -1.0 2.0
   76    79    81    85   3.96800 -1.0 2.0
   77    76    79    80   0.00000  1.0 1.0
   77    76    79    81   0.08850  1.0 3.0
   78    76    79    80   0.00000  1.0 1.0
   78    76    79    81   0.08850  1.0 3.0
   79    81    82    83   1.50000 -1.0 2.0
   79    81    82    84   1.50000 -1.0 2.0
   79    81    85    86   1.50000 -1.0 2.0
   79    81    85    87   1.50000 -1.0 2.0
   80    79    81    82   1.50000 -1.0 2.0
   80    79    81    85   1.50000 -1.0 2.0
   82    81    85    86   1.50000 -1.0 2.0
   82    81    85    87   1.50000 -1.0 2.0
   85    81    82    83   1.50000 -1.0 2.0
   85    81    82    84   1.50000 -1.0 2.0
   52    48    50    51   0.00000  1.0 1.0
   52    48    50    55   0.93250  1.0 1.0
   52    48    50    55   0.04450 -1.0 2.0
   52    48    50    55   0.17550  1.0 3.0
   52    57    62    63   0.15000  1.0 3.0
   52    57    62    64   0.15000  1.0 3.0
   52    57    62    65   0.15000  1.0 3.0
   52    57    66    67   0.15000  1.0 3.0
   52    57    66    68   0.15000  1.0 3.0
   52    57    66    69   0.15000  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    62   0.15000  1.0 3.0
   53    52    57    66   0.15000  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    62   0.15000  1.0 3.0
   54    52    57    66   0.15000  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    65   0.15000  1.0 3.0
   58    57    66    67   0.15000  1.0 3.0
   58    57    66    68   0.15000  1.0 3.0
   58    57    66    69   0.15000  1.0 3.0
   62    57    66    67   0.15000  1.0 3.0
   62    57    66    68   0.15000  1.0 3.0
   62    57    66    69   0.15000  1.0 3.0
   66    57    62    63   0.15000  1.0 3.0
   66    57    62    64   0.15000  1.0 3.0
   66    57    62    65   0.15000  1.0 3.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33    38    43   1.39750  1.0 1.0
   40    33    38    43  -0.07950 -1.0 2.0
   40    33    38    43  -0.18750  1.0 3.0
   41    40    45    46   0.30150 -1.0 2.0
   41    40    45    47   0.30150 -1.0 2.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    47   0.00000  1.0 1.0
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
   36    30    35    37  10.50000 -1.0 2.0
   33    43    38    39  10.50000 -1.0 2.0
   44    38    43    48   1.00000 -1.0 2.0
   48    55    50    51  10.50000 -1.0 2.0
   56    50    55    59   1.00000 -1.0 2.0
   80    81    79    76   1.00000 -1.0 2.0
   79    82    81    85  10.50000 -1.0 2.0
   84    81    82    83   1.00000 -1.0 2.0
   86    87    85    81   1.00000 -1.0 2.0
   46    40    45    47  10.50000 -1.0 2.0
END
