* LIGAND DATABASE FILE (OPLS2005)
*
001      87    86    154    229     454
    1     0 S   NP   _N1_     1    31.06486   100.29678   -14.83422
    2     1 S   H    _HN1     2     1.02944    63.41620    27.57566
    3     1 S   H    _H1_     3     1.02842    83.78143   140.32143
    4     1 S   H    _H2_     4     1.02796    60.77505  -105.29783
    5     1 S   CT   _CA1     5     1.50177   165.38622   -41.15874
    6     5 S   HC   _HA1     6     1.09589   105.08439  -119.05491
    7     5 S   CO3  _C1_     7     1.53562   112.21464   121.17237
    8     7 S   O2Z  _O11     8     1.26482   115.30691   -48.60017
    9     7 S   O2Z  _O12     9     1.26227   115.04934   130.68951
   10     5 S   CT   _CB1    10     1.53140   107.32087    -1.61628
   11    10 S   HC   HB11    11     1.09821   108.73826   -51.58838
   12    10 S   HC   HB12    12     1.09805   110.61923    64.69137
   13    10 S   CT   _CG1    13     1.53164   113.07149  -172.82507
   14    13 S   HC   HG11    14     1.09480   110.50391   -70.30502
   15    13 S   HC   HG12    15     1.09667   109.94131    48.79293
   16    13 S   C    _CD1    16     1.52013   112.22130   168.43341
   17    16 S   O    _OE1    17     1.22815   123.06068    -3.69099
   18    16 S   N    _N2_    18     1.38635   112.08749   177.86100
   19    18 S   H    _HN2    19     1.01555   119.12825     0.91300
   20    18 S   CT1  _CA2    20     1.45773   122.53531   172.20648
   21    20 S   HC   _HA2    21     1.09729   108.99384    22.86984
   22    20 S   C    _C2_    22     1.53057   106.42188   -93.50767
   23    22 S   O    _O2_    23     1.22996   123.09062   -28.16100
   24    20 S   CT   _CB2    32     1.53116   113.09984   146.66979
   25    24 S   HC   HB21    33     1.09466   111.23704    51.10898
   26    24 S   HC   HB22    34     1.09576   109.83761   168.71887
   27    22 S   N    _N3_    24     1.38534   112.60837   154.39983
   28    27 S   H    _HN3    25     1.01656   120.31288    -1.75569
   29    24 S   S    _SG2    35     1.82615   111.82017   -73.67680
   30    27 S   CT   _CA3    26     1.45346   122.46049   178.70820
   31    30 S   HC   HA31    27     1.09566   107.74169   -57.15593
   32    30 S   HC   HA32    28     1.09564   107.66167    59.15366
   33    29 S   CT   _C17    36     1.85257   100.50414   101.73180
   34    33 S   HC   _H5_    37     1.09853   109.61173   -27.17826
   35    30 S   CO3  _C3_    29     1.52881   114.37811  -179.03005
   36    35 S   O2Z  _O31    30     1.26331   116.09168    -0.27976
   37    35 S   O2Z  _O32    31     1.26445   114.40061   179.71129
   38    33 S   CO3  _C18    38     1.55024   101.54394    88.15438
   39    38 S   O2Z  _O36    39     1.26457   116.62474    87.17309
   40    38 S   O2Z  _O35    40     1.26715   114.65515   -93.85638
   41    33 S   CT   _C16    41     1.55215   110.93186  -150.38378
   42    41 S   OM   _O37    42     1.32613   109.11932    75.87543
   43    41 S   HC   _H4_    43     1.10034   107.88579   -57.39509
   44    41 S   C    _C15    44     1.54321   109.60620  -172.23643
   45    44 S   O    _O34    45     1.23111   123.21969   -25.17000
   46    44 S   N    _N8_    46     1.38969   112.68626   154.66942
   47    46 S   H    _H29    47     1.01562   118.16022     6.79873
   48    46 S   CT1  _C8_    48     1.45510   123.34135  -179.62361
   49    48 S   HC   _H3_    49     1.09530   109.08420     9.67349
   50    48 S   C    _C9_    50     1.52999   107.60539  -107.47242
   51    50 S   O    _O33    51     1.22937   123.00970   -29.66534
   52    48 S   CTD  _C7_    75     1.53444   111.58881   132.04986
   53    52 S   HC   _H13    76     1.09824   109.16962   177.24693
   54    52 S   HC   _H14    77     1.09897   108.90331    62.14223
   55    50 S   N    _N4_    52     1.38860   112.55735   152.77395
   56    55 S   H    _H15    53     1.01518   119.34207    -0.51700
   57    52 S   CT   _C5_    78     1.54257   114.70568   -59.77403
   58    57 S   HC   _H9_    79     1.09701   109.11049    59.48418
   59    55 S   CT   _C10    54     1.45407   122.96277  -179.42257
   60    59 S   HC   _H16    55     1.09476   107.55256  -163.57745
   61    59 S   HC   _H17    56     1.09544   108.01997   -46.86895
   62    57 S   CT   _C4_    80     1.52911   112.50029   -60.59336
   63    62 S   HC   _H6_    81     1.09516   111.24837   -55.44692
   64    62 S   HC   _H7_    82     1.09543   110.75183  -175.52315
   65    62 S   HC   _H8_    83     1.09400   111.40615    65.39929
   66    57 S   CT   _C6_    84     1.53107   109.69454   176.97379
   67    66 S   HC   _H10    85     1.09536   111.30231    62.11590
   68    66 S   HC   _H11    86     1.09520   110.82266  -177.64698
   69    66 S   HC   _H12    87     1.09514   110.81922   -58.18075
   70    59 S   CT   _C11    57     1.52947   112.36951    74.16100
   71    70 S   HC   _H18    58     1.09657   109.13979  -174.75802
   72    70 S   HC   _H19    59     1.09537   108.86180   -58.72683
   73    70 S   CT   _C12    60     1.53411   112.56456    64.18913
   74    73 S   HC   _H20    61     1.09261   110.10103   -43.12305
   75    73 S   HC   _H21    62     1.09674   109.17132    72.88553
   76    73 S   CT   _C13    63     1.52917   112.50444  -165.97451
   77    76 S   HC   _H22    64     1.09481   111.44618   177.69871
   78    76 S   HC   _H23    65     1.09568   109.51517   -63.88258
   79    76 S   NG   _N5_    66     1.47358   113.37271    55.28899
   80    79 S   H    _H24    67     1.01913   118.50999  -123.36827
   81    79 S   CG   _C14    68     1.38351   125.17694    54.96510
   82    81 S   NG   _N7_    69     1.37648   118.73466  -166.65139
   83    82 S   H    _H27    70     1.01736   120.91233    -2.96280
   84    82 S   H    _H28    71     1.02022   121.82026   175.35051
   85    81 S   NG   _N6_    72     1.37657   122.13487    13.26605
   86    85 S   H    _H25    73     1.01916   120.58615  -176.60056
   87    85 S   H    _H26    74     1.01349   122.10613     6.07306
  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
  10   7   2   1   1   6   2   1   7   4   3   7   3  10   4  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    41    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  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46  
   38    39    40    41    42    43    44  
   36    37  
   37  
    0  
   39    40    41    42    43    44  
   40    41  
   41  
   42    43    44    45    46    47    48  
   43    44    45    46  
   44    45    46  
   45    46    47    48    49    50    52  
   46    47    48  
   47    48    49    50    51    55    52    53    54    57  
   48    49    50    52  
   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   0.007500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.3810   1.2100   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   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   41   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   47   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   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    41   268.000  1.529
   38    39   656.000  1.250
   38    40   656.000  1.250
   41    42   570.000  1.307
   41    43   340.000  1.090
   41    44   317.000  1.522
   44    45   570.000  1.229
   44    46   490.000  1.335
   46    47   434.000  1.010
   46    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
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  116.78000
   29    33    41    75.00000  111.63000
   33    38    39    70.00000  117.00000
   33    38    40    70.00000  117.00000
   33    41    42    50.00000  109.50000
   33    41    43    37.50000  110.70000
   33    41    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   40    38    39    80.00000  126.00000
   41    33    34    37.50000  110.70000
   41    33    38    70.00000  109.69300
   41    44    45    80.00000  120.40000
   41    44    46    70.00000  116.60000
   43    41    42    45.00000  125.66300
   44    41    42    90.00000  108.55600
   44    41    43    35.00000  109.50000
   44    46    47    35.00000  119.80000
   44    46    48    50.00000  121.90000
   46    44    45    80.00000  122.90000
   46    48    49    35.00000  109.50000
   46    48    50    63.00000  110.10000
   46    48    52    80.00000  109.70000
   48    46    47    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
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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    40   0.30150 -1.0 2.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.56750  1.0 1.0
   29    33    41    44  -0.07550 -1.0 2.0
   29    33    41    44   0.20000  1.0 3.0
   33    41    44    45   0.30150 -1.0 2.0
   33    41    44    46   1.39750  1.0 1.0
   33    41    44    46  -0.07950 -1.0 2.0
   33    41    44    46  -0.18750  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    43   0.15000  1.0 3.0
   34    33    41    44  -0.11250  1.0 3.0
   38    33    41    42  -3.35100  1.0 1.0
   38    33    41    42  -0.37050 -1.0 2.0
   38    33    41    42   0.22400  1.0 3.0
   38    33    41    43  -0.11250  1.0 3.0
   38    33    41    44  -0.30950  1.0 1.0
   38    33    41    44   1.11150 -1.0 2.0
   38    33    41    44   0.40350  1.0 3.0
   41    33    38    39   0.41150 -1.0 2.0
   41    33    38    40   0.41150 -1.0 2.0
   41    44    46    47   2.45000 -1.0 2.0
   41    44    46    48   1.15000  1.0 1.0
   41    44    46    48   3.04450 -1.0 2.0
   42    41    44    45   0.30150 -1.0 2.0
   42    41    44    46   0.00000  1.0 1.0
   43    41    44    45   0.00000  1.0 1.0
   43    41    44    46   0.00000  1.0 1.0
   44    46    48    49   0.00000  1.0 1.0
   44    46    48    50  -0.29800  1.0 1.0
   44    46    48    50   0.13950 -1.0 2.0
   44    46    48    50  -2.45650  1.0 3.0
   44    46    48    52   0.25950  1.0 1.0
   44    46    48    52   0.43850 -1.0 2.0
   44    46    48    52   2.61650  1.0 3.0
   45    44    46    47   2.45000 -1.0 2.0
   45    44    46    48   3.04450 -1.0 2.0
   46    48    50    51   0.00000  1.0 1.0
   46    48    50    55   0.37150  1.0 1.0
   46    48    50    55   1.25400 -1.0 2.0
   46    48    50    55  -0.40250  1.0 3.0
   46    48    52    53   0.23200  1.0 3.0
   46    48    52    54   0.23200  1.0 3.0
   46    48    52    57   0.26400  1.0 1.0
   46    48    52    57   0.16150 -1.0 2.0
   46    48    52    57   0.25850  1.0 3.0
   47    46    48    49   0.00000  1.0 1.0
   47    46    48    50   0.00000  1.0 1.0
   47    46    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
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
   39    33    38    40  10.50000 -1.0 2.0
   41    46    44    45  10.50000 -1.0 2.0
   47    44    46    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
END
