* LIGAND DATABASE FILE (OPLS2005)
*
001      94    96    172    258     499
    1     0 S   NP   _N1_     1    28.87191    94.16248   -20.88333
    2     1 S   H    _HN1     2     1.02840    30.99154   128.72556
    3     1 S   H    _H1_     3     1.02778    88.14455  -100.69664
    4     1 S   H    _H2_     4     1.02963    91.80642     7.58887
    5     1 S   CT   _CA1     5     1.50127   141.63194   134.57491
    6     5 S   HC   _HA1     6     1.09565   105.28955    56.02623
    7     5 S   CO3  _C1_     7     1.53817   112.22894   -64.41391
    8     7 S   O2Z  _O11     8     1.26382   114.92644   -45.00490
    9     7 S   O2Z  _O12     9     1.26202   115.02526   134.04125
   10     5 S   CT   _CB1    10     1.53093   107.43880   174.18533
   11    10 S   HC   HB11    11     1.09825   109.64675   -48.22269
   12    10 S   HC   HB12    12     1.09814   110.37785    68.48026
   13    10 S   CT   _CG1    13     1.52946   112.45820  -169.11071
   14    13 S   HC   HG11    14     1.09602   110.59159   -60.51644
   15    13 S   HC   HG12    15     1.09537   109.74677    58.65194
   16    13 S   C    _CD1    16     1.51780   112.30478   179.16420
   17    16 S   O    _OE1    17     1.22715   123.30835     0.71628
   18    16 S   N    _N2_    18     1.38507   111.64335  -179.94405
   19    18 S   H    _HN2    19     1.01525   118.87610     3.42931
   20    18 S   CT1  _CA2    20     1.46237   123.62915  -176.28648
   21    20 S   HC   _HA2    21     1.09749   109.53373    -2.65727
   22    20 S   C    _C2_    22     1.53173   108.18377  -118.43503
   23    22 S   O    _O2_    23     1.22987   122.39946  -137.18105
   24    20 S   CT   _CB2    32     1.53322   110.88851   119.04317
   25    24 S   HC   HB21    33     1.09582   109.54485    56.18789
   26    24 S   HC   HB22    34     1.09512   110.69169   175.33217
   27    22 S   N    _N3_    24     1.38531   113.10540    49.65907
   28    27 S   H    _HN3    25     1.01506   119.06171    -1.18151
   29    24 S   S    _SG2    35     1.82706   110.54409   -65.00826
   30    27 S   CT   _CA3    26     1.45433   123.34445   175.09907
   31    30 S   HC   HA31    27     1.09519   109.27529    24.54567
   32    30 S   HC   HA32    28     1.09487   107.17622   141.59214
   33    29 S   S    _S2_    36     2.05266   102.49841   160.42925
   34    30 S   CO3  _C3_    29     1.52882   113.02473   -98.89499
   35    34 S   O2Z  _O31    30     1.26411   115.36512   -46.75863
   36    34 S   O2Z  _O32    31     1.26353   115.03685   134.15528
   37    33 S   CT   _C19    37     1.84847   104.09195   -77.90501
   38    37 S   HC   _H7_    38     1.09674   106.49840    63.53401
   39    37 S   CT   _C18    39     1.54441   113.97490   -54.31282
   40    39 S   HC   _H18    40     1.09597   109.95148    60.99746
   41    39 S   HC   _H19    41     1.09698   107.33149   174.65232
   42    37 S   CT   _C20    88     1.54720   109.49311   179.80218
   43    42 S   HC   _H20    89     1.09792   108.09686   168.96691
   44    42 S   HC   _H21    90     1.09898   110.16777    53.63921
   45    39 S   CT   _C17    42     1.53297   115.82380   -63.83844
   46    45 S   HC   _H16    43     1.09541   110.16955    50.70941
   47    45 S   HC   _H17    44     1.09574   109.94133   -66.29494
   48    42 S   CT   _C21    91     1.54091   112.89735   -70.14591
   49    48 S   SM   _S1_    92     1.83309   109.56849  -173.23688
   50    48 S   HC   _H22    93     1.09628   108.84245   -50.95277
   51    48 S   HC   _H23    94     1.09546   109.63317    64.22990
   52    45 S   CT   _C16    45     1.53601   113.11002   170.83059
   53    52 S   HC   _H14    46     1.09717   108.69443   -63.10102
   54    52 S   HC   _H15    47     1.09729   108.11718  -178.33917
   55    52 S   CT   _C15    48     1.52536   115.51440    59.01343
   56    55 S   HC   _H12    49     1.09492   112.16378   -58.50232
   57    55 S   HC   _H13    50     1.09655   109.68574  -175.55314
   58    55 S   CO4  _C14    51     1.50546   112.11302    65.76608
   59    58 S   O    _O38    52     1.22297   124.21764    83.84478
   60    58 S   OS   _O37    53     1.35426   110.23805   -94.66028
   61    60 S   P2   _P1_    54     1.62838   124.32645   178.16027
   62    61 S   O2Z  _O36    55     1.51333   109.13426    71.07291
   63    61 S   O2Z  _O35    56     1.51268   108.81041   -63.00431
   64    61 S   OS   _O34    57     1.63344    98.49934  -175.32098
   65    64 S   CT   _C13    58     1.42498   119.07867   -72.74508
   66    65 S   HC   _H10    59     1.09418   107.51843   -82.49817
   67    65 S   HC   _H11    60     1.09491   109.37988    36.37889
   68    65 S   CT   _C12    61     1.52045   108.38101   157.61197
   69    68 S   HC   _H6_    62     1.09773   110.18815    39.60638
   70    68 S   CT   _C11    63     1.52359   115.51909   165.04593
   71    70 S   HC   _H5_    64     1.09406   113.41920   -80.24516
   72    70 S   CT   _C10    65     1.51749   100.42530   159.30355
   73    72 S   HC   _H4_    66     1.09788   108.54363    77.35176
   74    70 S   OH   _O39    86     1.42240   111.99244    42.50006
   75    74 S   HO   _H24    87     0.97235   107.90073   -72.48885
   76    72 S   CO   _C9_    67     1.53079   103.24683   -37.26680
   77    76 S   HC   _H3_    68     1.09563   110.78808   140.38786
   78    72 S   OH   _O40    84     1.41215   114.08744  -162.50144
   79    78 S   HO   _H25    85     0.97218   107.68296   -48.17248
   80    76 S   N*   _N6_    69     1.45181   115.87160   -97.80216
   81    68 S   OS   _O33    83     1.44695   109.29966   -76.63216
   82    80 S   CRAB _C8_    70     1.36904   127.93372    94.00191
   83    82 S   HA   _H9_    71     1.08185   122.83702     1.84058
   84    82 S   NNA  _N7_    72     1.31710   112.10298  -177.59434
   85    84 S   C56B _C6_    73     1.37405   105.04937    -0.61676
   86    80 S   C56A _C7_    74     1.37105   125.02753   -85.56496
   87    86 S   NB   _N5_    75     1.34227   127.83074    -1.99841
   88    87 S   CQ   _C4_    76     1.34655   110.71421   178.43840
   89    88 S   HA   _H8_    77     1.08483   115.85673   179.63309
   90    88 S   NB   _N4_    78     1.35304   128.58198    -0.41543
   91    85 S   CA   _C5_    79     1.40322   131.75935   179.40095
   92    91 S   NND  _N8_    80     1.38104   122.27693    -0.80357
   93    92 S   H    _H26    81     1.01056   120.46854    -1.46099
   94    92 S   H    _H27    82     1.01035   119.22323   179.89347
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
  10   2   1   1  15   8  13   6   5   7   5   4   9   5   4   3
   2   1   1   8   5   4   6   4   3   6   2   5   7   3   2   7
  10   5   4  12   6  11   7  11   7   4   1  11   5   3   1   9
   2   6   3   6   8   6   4   4   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    45    42    43    44    48  
   35    36  
   36  
    0  
   38    39    40    41    45    46    47    52    42    43    44    48    49    50    51  
   39    40    41    45    42    43    44    48  
   40    41    45    46    47    52    53    54    55    42    43    44    48  
   41    45    46    47    52    42  
   45    46    47    52    42  
   43    44    48    49    50    51    45  
   44    48    49    50    51  
   48    49    50    51  
   46    47    52    53    54    55    56    57    58  
   47    52    53    54    55  
   52    53    54    55  
   49    50    51  
   50    51  
   51  
    0  
   53    54    55    56    57    58    59    60  
   54    55    56    57    58  
   55    56    57    58  
   56    57    58    59    60    61  
   57    58    59    60  
   58    59    60  
   59    60    61    62    63    64  
   60    61  
   61    62    63    64    65  
   62    63    64    65    66    67    68  
   63    64    65  
   64    65  
   65    66    67    68    69    70    81  
   66    67    68    69    70    71    72    76    81    74  
   67    68    69    70    81  
   68    69    70    81  
   69    70    71    72    73    76    77    80    81    78    74    75  
   70    71    72    76    81    74  
   71    72    73    76    77    80    81    78    79    74    75  
   72    73    76    81    78    74    75  
   73    76    77    80    82    86    81    78    79    74    75  
   76    77    80    81    78    79    74  
   75    76    78    81  
    0  
   77    80    82    83    84    85    86    87    81    78    79  
   80    82    86    81    78  
   79    80    81  
    0  
   82    83    84    85    86    87    88    91    81  
   82    86  
   83    84    85    86    87    91  
   84    85    86  
   85    86    87    90    91    92  
   86    87    88    90    91    92    93    94  
   87    88    89    90    91    92  
   88    89    90    91  
   89    90    91    92  
   90    91  
   91    92    93    94  
   92    93    94  
   93    94  
   94  
    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   0.097500   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  -0.217500   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   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.157500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.300000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.6000   0.3550  -0.900000   2.0300   1.8000   0.025682759  -1.666211680
   50   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   2.8500   0.1400  -0.490000   1.5900   1.4000   0.020110767  -0.896042159
   61   3.7400   0.2000   1.760000   2.1070   1.8700   0.005000000   0.000000000
   62   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   63   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   64   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660   0.080000   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   81   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   84   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   85   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   86   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
   87   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   88   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   89   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   90   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   91   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   92   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   93   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   94   0.5000   0.0300   0.370000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   166.000  2.038
   33    37   222.000  1.810
   37    38   340.000  1.090
   37    39   268.000  1.529
   37    42   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   317.000  1.522
   58    59   570.000  1.229
   58    60   214.000  1.327
   60    61   230.000  1.697
   61    62   525.000  1.480
   61    63   525.000  1.480
   61    64   230.000  1.697
   64    65   320.000  1.410
   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    81   320.000  1.410
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    74   320.000  1.410
   72    73   340.000  1.090
   72    76   250.000  1.527
   72    78   320.000  1.410
   76    77   340.000  1.090
   76    80   275.000  1.479
   76    81   320.000  1.380
   80    82   440.000  1.371
   80    86   436.000  1.374
   82    83   367.000  1.080
   82    84   529.000  1.304
   84    85   414.000  1.391
   85    86   447.000  1.419
   85    91   469.000  1.404
   86    87   461.000  1.354
   87    88   502.000  1.324
   88    89   367.000  1.080
   88    90   502.000  1.324
   90    91   483.000  1.339
   91    92   481.000  1.340
   92    93   434.000  1.010
   92    94   434.000  1.010
   78    79   553.000  0.945
   74    75   553.000  0.945
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    48   268.000  1.529
   48    49   222.000  1.810
   48    50   340.000  1.090
   48    51   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    68.00000  103.70000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    68.00000  103.70000
   33    37    38    35.00000  109.50000
   33    37    39    75.00000  111.63000
   33    37    42    75.00000  111.63000
   37    39    40    37.50000  110.70000
   37    39    41    37.50000  110.70000
   37    39    45    58.35000  112.70000
   37    42    43    37.50000  110.70000
   37    42    44    37.50000  110.70000
   37    42    48    58.35000  112.70000
   39    37    38    37.50000  110.70000
   39    45    46    37.50000  110.70000
   39    45    47    37.50000  110.70000
   39    45    52    58.35000  112.70000
   41    39    40    33.00000  107.80000
   45    39    40    37.50000  110.70000
   45    39    41    37.50000  110.70000
   45    52    53    37.50000  110.70000
   45    52    54    37.50000  110.70000
   45    52    55    58.35000  112.70000
   47    45    46    33.00000  107.80000
   52    45    46    37.50000  110.70000
   52    45    47    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    63.00000  111.10000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    58    59    80.00000  120.40000
   55    58    60    81.00000  111.40000
   57    55    56    33.00000  107.80000
   58    55    56    35.00000  109.50000
   58    55    57    35.00000  109.50000
   58    60    61    80.00000  120.00000
   60    58    59    83.00000  123.40000
   60    61    62   100.00000  108.23000
   60    61    63   100.00000  108.23000
   60    61    64    45.00000  102.60000
   61    64    65   100.00000  120.50000
   63    61    62   140.00000  119.90000
   64    61    62   100.00000  108.23000
   64    61    63   100.00000  108.23000
   64    65    66    35.00000  109.50000
   64    65    67    35.00000  109.50000
   64    65    68    50.00000  109.50000
   65    68    69    37.50000  110.70000
   65    68    70    58.35000  112.70000
   65    68    81    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    70    72    58.35000  112.70000
   68    70    74    50.00000  109.50000
   68    81    76    60.00000  109.50000
   70    68    69    37.50000  110.70000
   70    72    73    37.50000  110.70000
   70    72    76    75.00000  109.43000
   70    72    78    50.00000  109.50000
   70    74    75    55.00000  108.50000
   72    70    71    37.50000  110.70000
   72    76    77    45.00000  112.01100
   72    76    80    75.00000  107.44000
   72    76    81    90.00000  108.56700
   72    78    79    55.00000  108.50000
   76    72    73    45.00000  108.72000
   76    80    82    70.00000  128.80000
   76    80    86    70.00000  125.80000
   80    76    77    55.00000  103.44000
   80    82    83    35.00000  123.05000
   80    82    84    70.00000  113.90000
   80    86    85    70.00000  106.20000
   80    86    87    70.00000  126.20000
   82    84    85    70.00000  103.80000
   84    82    83    35.00000  123.05000
   84    85    86    70.00000  110.40000
   84    85    91    70.00000  132.40000
   85    86    87    70.00000  127.70000
   85    91    90    70.00000  117.30000
   85    91    92    70.00000  123.50000
   86    80    82    70.00000  105.40000
   86    87    88    70.00000  111.00000
   87    88    89    35.00000  115.45000
   87    88    90    70.00000  129.10000
   88    90    91    70.00000  118.60000
   90    88    89    35.00000  115.45000
   90    91    92    70.00000  119.30000
   91    85    86    85.00000  116.20000
   91    92    93    35.00000  120.00000
   91    92    94    35.00000  120.00000
   94    92    93    35.00000  120.00000
   81    68    69    35.00000  109.50000
   81    68    70    50.00000  109.50000
   81    76    77    35.00000  109.50000
   81    76    80   105.00000  106.22000
   78    72    73    35.00000  109.50000
   78    72    76    90.00000  111.58700
   74    70    71    35.00000  109.50000
   74    70    72    50.00000  109.50000
   42    37    38    37.50000  110.70000
   42    37    39    58.35000  112.70000
   42    48    49    75.00000  111.63000
   42    48    50    37.50000  110.70000
   42    48    51    37.50000  110.70000
   44    42    43    33.00000  107.80000
   48    42    43    37.50000  110.70000
   48    42    44    37.50000  110.70000
   50    48    49    35.00000  109.50000
   51    48    49    35.00000  109.50000
   51    48    50    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   0.97050  1.0 1.0
   20    24    29    33  -0.41800 -1.0 2.0
   20    24    29    33   0.46750  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -3.49700 -1.0 2.0
   24    29    33    37   0.74750  1.0 3.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.24000  1.0 3.0
   29    33    37    39   0.09450  1.0 1.0
   29    33    37    39  -0.17100 -1.0 2.0
   29    33    37    39   0.39100  1.0 3.0
   29    33    37    42   0.09450  1.0 1.0
   29    33    37    42  -0.17100 -1.0 2.0
   29    33    37    42   0.39100  1.0 3.0
   33    37    39    40   0.15000  1.0 3.0
   33    37    39    41   0.15000  1.0 3.0
   33    37    39    45   0.44750  1.0 1.0
   33    37    39    45  -0.17800 -1.0 2.0
   33    37    39    45   0.20200  1.0 3.0
   33    37    42    43   0.15000  1.0 3.0
   33    37    42    44   0.15000  1.0 3.0
   33    37    42    48   0.44750  1.0 1.0
   33    37    42    48  -0.17800 -1.0 2.0
   33    37    42    48   0.20200  1.0 3.0
   37    39    45    46   0.15000  1.0 3.0
   37    39    45    47   0.15000  1.0 3.0
   37    39    45    52   0.56750  1.0 1.0
   37    39    45    52  -0.07550 -1.0 2.0
   37    39    45    52   0.20000  1.0 3.0
   37    42    48    49   0.44750  1.0 1.0
   37    42    48    49  -0.17800 -1.0 2.0
   37    42    48    49   0.20200  1.0 3.0
   37    42    48    50   0.15000  1.0 3.0
   37    42    48    51   0.15000  1.0 3.0
   38    37    39    40   0.15000  1.0 3.0
   38    37    39    41   0.15000  1.0 3.0
   38    37    39    45   0.15000  1.0 3.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    44   0.15000  1.0 3.0
   38    37    42    48   0.15000  1.0 3.0
   39    37    42    43   0.15000  1.0 3.0
   39    37    42    44   0.15000  1.0 3.0
   39    37    42    48   0.56750  1.0 1.0
   39    37    42    48  -0.07550 -1.0 2.0
   39    37    42    48   0.20000  1.0 3.0
   39    45    52    53   0.15000  1.0 3.0
   39    45    52    54   0.15000  1.0 3.0
   39    45    52    55   0.56750  1.0 1.0
   39    45    52    55  -0.07550 -1.0 2.0
   39    45    52    55   0.20000  1.0 3.0
   40    39    45    46   0.15000  1.0 3.0
   40    39    45    47   0.15000  1.0 3.0
   40    39    45    52   0.15000  1.0 3.0
   41    39    45    46   0.15000  1.0 3.0
   41    39    45    47   0.15000  1.0 3.0
   41    39    45    52   0.15000  1.0 3.0
   45    52    55    56   0.15000  1.0 3.0
   45    52    55    57   0.15000  1.0 3.0
   45    52    55    58  -0.95700  1.0 1.0
   45    52    55    58  -0.18200 -1.0 2.0
   45    52    55    58   0.29450  1.0 3.0
   46    45    52    53   0.15000  1.0 3.0
   46    45    52    54   0.15000  1.0 3.0
   46    45    52    55   0.15000  1.0 3.0
   47    45    52    53   0.15000  1.0 3.0
   47    45    52    54   0.15000  1.0 3.0
   47    45    52    55   0.15000  1.0 3.0
   52    55    58    59   0.30150 -1.0 2.0
   52    55    58    60   0.36750  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    58  -0.11250  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    58  -0.11250  1.0 3.0
   55    58    60    61   2.00000 -1.0 2.0
   56    55    58    59   0.00000  1.0 1.0
   56    55    58    60   0.00000  1.0 1.0
   57    55    58    59   0.00000  1.0 1.0
   57    55    58    60   0.00000  1.0 1.0
   58    60    61    62   0.00000  1.0 1.0
   58    60    61    63   0.00000  1.0 1.0
   58    60    61    64   0.15000  1.0 3.0
   59    58    60    61   3.00000 -1.0 2.0
   60    61    64    65   0.05050  1.0 1.0
   60    61    64    65  -1.30700 -1.0 2.0
   60    61    64    65   0.91550  1.0 3.0
   61    64    65    66   0.03000  1.0 3.0
   61    64    65    67   0.03000  1.0 3.0
   61    64    65    68  -2.65550  1.0 1.0
   61    64    65    68  -0.22350 -1.0 2.0
   61    64    65    68   0.24150  1.0 3.0
   62    61    64    65   0.00000  1.0 1.0
   63    61    64    65   0.00000  1.0 1.0
   64    65    68    69   0.23400  1.0 3.0
   64    65    68    70   0.62750  1.0 1.0
   64    65    68    70  -0.30950 -1.0 2.0
   64    65    68    70   0.27300  1.0 3.0
   64    65    68    81   1.11900  1.0 1.0
   64    65    68    81  -1.16350 -1.0 2.0
   64    65    68    81  -0.34150  1.0 3.0
   65    68    70    71   0.15000  1.0 3.0
   65    68    70    72   0.56750  1.0 1.0
   65    68    70    72  -0.07550 -1.0 2.0
   65    68    70    72   0.20000  1.0 3.0
   65    68    70    74   0.86500  1.0 1.0
   65    68    70    74  -0.17500 -1.0 2.0
   65    68    70    74   0.20800  1.0 3.0
   65    68    81    76   0.06250  1.0 1.0
   65    68    81    76  -0.01100 -1.0 2.0
   65    68    81    76   0.28050  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    81   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    81   0.23400  1.0 3.0
   68    70    72    73   0.15000  1.0 3.0
   68    70   -72    76   3.97050  1.0 1.0
   68    70    72    78   0.86500  1.0 1.0
   68    70    72    78  -0.17500 -1.0 2.0
   68    70    72    78   0.20800  1.0 3.0
   68    70    74    75  -0.11600  1.0 1.0
   68    70    74    75  -0.09450 -1.0 2.0
   68    70    74    75   0.21250  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    72   0.15000  1.0 3.0
   69    68    70    74   0.23400  1.0 3.0
   69    68    81    76   0.37050  1.0 3.0
   70    68   -81    76   0.06250  1.0 1.0
   70    68   -81    76  -0.01100 -1.0 2.0
   70    68   -81    76   0.28050  1.0 3.0
   70    72    76    77   0.15000  1.0 3.0
   70    72    76    80  -0.64600  1.0 1.0
   70    72    76    80   0.58400 -1.0 2.0
   70    72   -76    81   0.62750  1.0 1.0
   70    72   -76    81  -0.30950 -1.0 2.0
   70    72   -76    81   0.27300  1.0 3.0
   70    72    78    79  -0.11600  1.0 1.0
   70    72    78    79  -0.09450 -1.0 2.0
   70    72    78    79   0.21250  1.0 3.0
   71    70    72    73   0.15000  1.0 3.0
   71    70    72    76   0.15000  1.0 3.0
   71    70    72    78   0.23400  1.0 3.0
   71    70    74    75   0.19450  1.0 3.0
   72    70    74    75  -0.11600  1.0 1.0
   72    70    74    75  -0.09450 -1.0 2.0
   72    70    74    75   0.21250  1.0 3.0
   72    76    80    82   1.10250  1.0 1.0
   72    76    80    82   0.01650 -1.0 2.0
   72    76    80    82   0.39100  1.0 3.0
   72    76    80    86   1.10250  1.0 1.0
   72    76    80    86   0.01650 -1.0 2.0
   72    76    80    86   0.39100  1.0 3.0
   72    76   -81    68   0.06250  1.0 1.0
   72    76   -81    68  -0.01100 -1.0 2.0
   72    76   -81    68   0.28050  1.0 3.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    80   0.15000  1.0 3.0
   73    72    76    81   0.23400  1.0 3.0
   73    72    78    79   0.19450  1.0 3.0
   76    72    78    79  -0.11600  1.0 1.0
   76    72    78    79  -0.09450 -1.0 2.0
   76    72    78    79   0.21250  1.0 3.0
   76    80    82    83   3.62500 -1.0 2.0
   76    80    82    84   3.62500 -1.0 2.0
   76    80    86    85   0.81400  1.0 1.0
   76    80    86    85   1.55550 -1.0 2.0
   76    80    86    87   3.62500 -1.0 2.0
   77    76    80    82   0.00000  1.0 1.0
   77    76    80    86   0.00000  1.0 1.0
   77    76    81    68   0.37050  1.0 3.0
   80    76    81    68  -2.37750  1.0 1.0
   80    76    81    68  -0.08150 -1.0 2.0
   80    76    81    68   0.59000  1.0 3.0
   80    82   -84    85   3.62500 -1.0 2.0
   80    86    87    88   3.62500 -1.0 2.0
   82    80   -86    85   0.70250  1.0 1.0
   82    80   -86    85   1.56150 -1.0 2.0
   82    80    86    87   3.62500 -1.0 2.0
   82    84   -85    86   3.62500 -1.0 2.0
   82    84    85    91   3.62500 -1.0 2.0
   83    82    84    85   3.62500 -1.0 2.0
   84    85   -86    80   3.62500 -1.0 2.0
   84    85    86    87   3.62500 -1.0 2.0
   84    85    91    90   3.62500 -1.0 2.0
   84    85    91    92   3.62500 -1.0 2.0
   85    86    87    88   3.62500 -1.0 2.0
   85    91    92    93   0.70000 -1.0 2.0
   85    91    92    94   0.70000 -1.0 2.0
   86    80    82    83   3.62500 -1.0 2.0
   86    80   -82    84   3.62500 -1.0 2.0
   86    85    91    90   3.62500 -1.0 2.0
   86    85    91    92   3.62500 -1.0 2.0
   86    87    88    89   3.62500 -1.0 2.0
   86    87   -88    90   3.62500 -1.0 2.0
   87    88    90    91   3.62500 -1.0 2.0
   88    90   -91    85   3.62500 -1.0 2.0
   88    90    91    92   3.62500 -1.0 2.0
   89    88    90    91   3.62500 -1.0 2.0
   90    91    92    93   0.70000 -1.0 2.0
   90    91    92    94   0.70000 -1.0 2.0
   91    85    86    80   3.00000 -1.0 2.0
   91    85   -86    87   3.62500 -1.0 2.0
   81    68    70    71   0.23400  1.0 3.0
   81    68   -70    72   0.62750  1.0 1.0
   81    68   -70    72  -0.30950 -1.0 2.0
   81    68   -70    72   0.27300  1.0 3.0
   81    68    70    74   3.69350  1.0 1.0
   81    68    70    74  -1.82950 -1.0 2.0
   81    76    80    82   0.10350  1.0 1.0
   81    76    80    82  -0.15350 -1.0 2.0
   81    76    80    86   0.10350  1.0 1.0
   81    76    80    86  -0.15350 -1.0 2.0
   78    72    76    77   0.23400  1.0 3.0
   78    72    76    80   2.76900  1.0 1.0
   78    72    76    80  -0.24350 -1.0 2.0
   78    72    76    80  -0.78250  1.0 3.0
   78    72    76    81   3.69350  1.0 1.0
   78    72    76    81  -1.82950 -1.0 2.0
   74    70    72    73   0.23400  1.0 3.0
   74    70    72    76   0.86500  1.0 1.0
   74    70    72    76  -0.17500 -1.0 2.0
   74    70    72    76   0.20800  1.0 3.0
   74    70    72    78   3.75450  1.0 1.0
   42    37    39    40   0.15000  1.0 3.0
   42    37    39    41   0.15000  1.0 3.0
   42    37    39    45   0.56750  1.0 1.0
   42    37    39    45  -0.07550 -1.0 2.0
   42    37    39    45   0.20000  1.0 3.0
   43    42    48    49   0.15000  1.0 3.0
   43    42    48    50   0.15000  1.0 3.0
   43    42    48    51   0.15000  1.0 3.0
   44    42    48    49   0.15000  1.0 3.0
   44    42    48    50   0.15000  1.0 3.0
   44    42    48    51   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
   35    30    34    36  10.50000 -1.0 2.0
   55    60    58    59  10.50000 -1.0 2.0
   82    86    80    76   4.00000 -1.0 2.0
   84    83    82    80   1.10000 -1.0 2.0
   86    91    85    84   4.00000 -1.0 2.0
   85    87    86    80   4.00000 -1.0 2.0
   90    89    88    87   1.10000 -1.0 2.0
   90    92    91    85   4.00000 -1.0 2.0
   94    91    92    93   1.00000 -1.0 2.0
END
