* LIGAND DATABASE FILE (OPLS2005)
*
001      89    92    164    255     479
    1     0 S   NP   _N1_     1    28.85200    97.25146   -22.50550
    2     1 S   H    _HN1     2     1.02930    66.94399     9.36257
    3     1 S   H    _H1_     3     1.02863    44.26616   163.65143
    4     1 S   H    _H2_     4     1.02819   103.56423   -94.80850
    5     1 S   CT   _CA1     5     1.50148   142.54852   103.90631
    6     5 S   HC   _HA1     6     1.09659   105.03385   100.60465
    7     5 S   CO3  _C1_     7     1.53916   111.52537   -18.12280
    8     7 S   O2Z  _O11     8     1.26204   115.47329   -72.74297
    9     7 S   O2Z  _O12     9     1.26409   114.55214   105.63509
   10     5 S   CT   _CB1    10     1.53131   107.21085  -142.84853
   11    10 S   HC   HB11    11     1.09846   109.04420   -53.36334
   12    10 S   HC   HB12    12     1.09781   110.82991    63.13356
   13    10 S   CT   _CG1    13     1.52954   112.39800  -174.25683
   14    13 S   HC   HG11    14     1.09505   110.56499   -70.99426
   15    13 S   HC   HG12    15     1.09591   109.64329    48.21490
   16    13 S   C    _CD1    16     1.51797   112.07690   168.69307
   17    16 S   O    _OE1    17     1.22730   123.15454    15.67419
   18    16 S   N    _N2_    18     1.38646   111.82250  -164.14307
   19    18 S   H    _HN2    19     1.01459   119.04374    -0.08393
   20    18 S   CT1  _CA2    20     1.46420   123.49031   175.01312
   21    20 S   HC   _HA2    21     1.09739   109.10350    10.13725
   22    20 S   C    _C2_    22     1.53686   109.65900  -105.34569
   23    22 S   O    _O2_    23     1.23021   121.87977  -157.62214
   24    20 S   CT   _CB2    32     1.53411   111.14766   132.06929
   25    24 S   HC   HB21    33     1.09436   109.39279    54.93129
   26    24 S   HC   HB22    34     1.09468   111.25772   173.84381
   27    22 S   N    _N3_    24     1.38253   114.24840    29.67039
   28    27 S   H    _HN3    25     1.01466   119.50396    -3.14423
   29    24 S   S    _SG2    35     1.82774   110.69959   -66.64376
   30    27 S   CT   _CA3    26     1.45282   123.37852   176.95316
   31    30 S   HC   HA31    27     1.09539   107.39786   -66.71388
   32    30 S   HC   HA32    28     1.09548   108.16135    49.80590
   33    29 S   CT   _C13    36     1.82817    99.84642   145.54709
   34    33 S   HC   _H13    37     1.09122   108.90246   -33.92394
   35    33 S   HC   _H14    38     1.09427   108.52758    84.08412
   36    30 S   CO3  _C3_    29     1.52998   113.83887   171.63461
   37    36 S   O2Z  _O31    30     1.26478   116.01658    -9.38705
   38    36 S   O2Z  _O32    31     1.26349   114.61872   171.28260
   39    33 S   CT   _C12    39     1.53316   109.91934  -154.79865
   40    39 S   HC   _H6_    40     1.09652   110.46025   -55.94284
   41    39 S   CT   _C11    41     1.52953   112.73898   179.10803
   42    41 S   HC   _H5_    42     1.09381   114.55541    34.64311
   43    41 S   CT   _C10    43     1.51994   102.65590   -88.55120
   44    43 S   HC   _H4_    44     1.09243   109.43079    82.66717
   45    41 S   OH   _O34    88     1.42861   109.07050   155.49444
   46    45 S   HO   _H15    89     0.97269   107.55602   -65.94855
   47    43 S   CO   _C9_    45     1.52341   101.51117   -36.71656
   48    47 S   HC   _H3_    46     1.09771   110.16985   -85.36225
   49    43 S   OH   _O35    86     1.41600   113.42609  -156.70722
   50    49 S   HO   _H16    87     0.97247   107.53426   -50.66299
   51    47 S   N*   _N7_    47     1.44956   117.33636   151.96871
   52    39 S   OS   _O33    85     1.44680   109.05482    62.14246
   53    51 S   CRA  _C4_    48     1.37851   124.03233   137.26048
   54    53 S   HA   _H11    49     1.08206   122.23461    -4.11499
   55    53 S   N5B  _N4_    50     1.31743   112.50460   175.07280
   56    55 S   C5B  _C5_    51     1.35866   103.68099    -0.34830
   57    51 S   C5A  _C8_    52     1.36946   129.18640   -48.43686
   58    57 S   NI   _N6_    53     1.34968   127.14376     5.67174
   59    58 S   CDX  _C7_    54     1.29964   112.54484   178.83215
   60    59 S   HC   _H12    55     1.09768   119.62377  -179.03045
   61    59 S   N*   _N5_    56     1.46762   125.21150     1.67678
   62    56 S   CG   _C6_    57     1.44666   128.90785  -178.58916
   63    61 S   CO   _C14    61     1.48092   119.45946   179.47214
   64    63 S   HC   _H7_    62     1.09603   108.93015   145.22840
   65    62 S   NG   _N8_    58     1.32406   116.67296     3.74377
   66    65 S   H    _H21    59     1.01937   120.36410     2.23450
   67    65 S   H    _H22    60     1.01242   121.85961   177.42694
   68    63 S   CT   _C15    63     1.51834   110.69993   -90.67504
   69    68 S   HC   _H8_    64     1.09531   110.45719    36.72964
   70    68 S   CT   _C16    65     1.51652   101.50170   154.08609
   71    70 S   HC   _H9_    66     1.09256   113.71758  -162.47206
   72    68 S   OH   _O44    83     1.41466   112.11226   -84.35625
   73    72 S   HO   _H20    84     0.97712   106.86062  -177.20663
   74    70 S   CT   _C17    67     1.52447   101.94599   -38.50339
   75    74 S   HC   _H10    68     1.09559   112.57691   147.56036
   76    70 S   OH   _O43    81     1.42842   109.46377    76.74197
   77    76 S   HO   _H19    82     0.97300   107.30491   179.71401
   78    63 S   OS   _O36    69     1.43700   111.28445    27.40360
   79    74 S   CT   _C18    70     1.52749   112.71861   -87.16000
   80    79 S   HC   _H17    71     1.09361   111.24048    58.62045
   81    79 S   HC   _H18    72     1.09446   110.56782   -62.36248
   82    79 S   OS   _O37    73     1.42400   108.31846   178.66294
   83    82 S   P2   _P1_    74     1.63645   119.00594  -162.63110
   84    83 S   O2Z  _O39    75     1.51389   107.48380  -178.56578
   85    83 S   O2Z  _O38    76     1.51562   108.59354    49.99763
   86    83 S   OS   _O40    77     1.63141    98.87193   -64.43100
   87    86 S   PR   _P2_    78     1.61621   131.91944   178.34827
   88    87 S   OM   _O42    79     1.64258    97.85841  -156.56615
   89    87 S   OM   _O41    80     1.64209    98.14767   104.58967
  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   7   5   4   3
  10   5   4   2   1   1  12   6  11   7  11   7   4   1  11   5
   3   1   9   2   6   3   6   9   6   5   8   3  12   7  13   6
   2   1   1  11   7  12   7   4   1   9   6   3   1   4   7   3
   2   5   6   3   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    52  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    52    45  
   35    39    40    41    52  
   39    40    41    52  
   37    38  
   38  
    0  
   40    41    42    43    44    47    48    51    52    49    45    46  
   41    42    43    47    52    45  
   42    43    44    47    48    51    52    49    50    45    46  
   43    44    47    52    49    45    46  
   44    47    48    51    53    57    52    49    50    45    46  
   47    48    51    52    49    50    45  
   46    47    49    52  
    0  
   48    51    53    54    55    56    57    58    52    49    50  
   51    53    57    52    49  
   50    51    52  
    0  
   53    54    55    56    57    58    59    62    52  
   53    57  
   54    55    56    57    58    62  
   55    56    57  
   56    57    58    61    62    65  
   57    58    59    61    62    65    66    67    63  
   58    59    60    61    62    65  
   59    60    61    62    63  
   60    61    62    65    63    64    68    78  
   61    62    63  
   62    65    66    67    63    64    68    69    70    74    78    72  
   65    66    67    63    64    68    78  
   64    68    69    70    71    74    75    78    79    76    72    73    65  
   68    69    70    74    78    72  
   66    67  
   67  
    0  
   69    70    71    74    75    78    79    76    77    72    73  
   70    71    74    78    76    72    73  
   71    74    75    78    79    80    81    82    76    77    72    73  
   74    75    78    79    76    77    72  
   73    74    76    78  
    0  
   75    78    79    80    81    82    83    76    77  
   78    79    80    81    82    76  
   77    78    79  
    0  
   79    80    81    82  
   80    81    82    83    84    85    86  
   81    82    83  
   82    83  
   83    84    85    86    87  
   84    85    86    87    88    89  
   85    86    87  
   86    87  
   87    88    89  
   88    89  
   89  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.027000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.2500   0.1700   0.122000   1.8000   1.6000   0.001000000  -0.511443539
   52   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5500   0.0700   0.275000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.078000   1.3810   1.2100   0.030040813   0.268726247
   55   3.2500   0.1700  -0.563000   1.8000   1.6000   0.001000000  -0.511443539
   56   3.5500   0.0700   0.260000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.068200   2.5000   1.7750   0.001000000  -0.843144165
   58   3.2800   0.1700  -0.389800   1.8540   1.6400   0.005000000   0.000000000
   59   3.7500   0.1050   0.423400   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.058100   1.4250   1.2500   0.008598240   0.268726247
   61   3.2500   0.1700   0.196800   1.9050   1.6860   0.051222218  -2.220205820
   62   2.2500   0.0500   0.385300   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0150   0.100000   1.4250   1.2500   0.008598240   0.268726247
   65   3.2500   0.1700  -0.747100   2.2900   2.0360   0.003973653   1.685851020
   66   0.0000   0.0000   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   67   0.0000   0.0000   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   84   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   85   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   86   2.8500   0.1400  -1.425000   1.5900   1.4000   0.020110767  -0.896042159
   87   3.7400   0.2000   0.937500   2.1070   1.8700   0.005000000   0.000000000
   88   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   89   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    52   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    47   250.000  1.527
   43    49   320.000  1.410
   47    48   340.000  1.090
   47    51   275.000  1.479
   47    52   320.000  1.380
   51    53   477.000  1.343
   51    57   427.000  1.381
   53    54   367.000  1.080
   53    55   488.000  1.335
   55    56   410.000  1.394
   56    57   520.000  1.370
   56    62   335.000  1.452
   57    58   440.000  1.363
   58    59   650.000  1.285
   59    60   370.000  1.091
   59    61   360.000  1.429
   61    62   590.000  1.308
   61    63   275.000  1.479
   62    65   481.000  1.340
   65    66   434.000  1.010
   65    67   434.000  1.010
   63    64   340.000  1.090
   63    68   250.000  1.527
   63    78   320.000  1.380
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    72   320.000  1.410
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    76   320.000  1.410
   74    75   340.000  1.090
   74    78   320.000  1.410
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   320.000  1.410
   82    83   230.000  1.697
   83    84   525.000  1.480
   83    85   525.000  1.480
   83    86   230.000  1.697
   86    87   325.000  1.672
   87    88   325.000  1.672
   87    89   325.000  1.672
   76    77   553.000  0.945
   72    73   553.000  0.945
   49    50   553.000  0.945
   45    46   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    52    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    52    47    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    75.00000  109.43000
   41    43    49    50.00000  109.50000
   41    45    46    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    47    48    45.00000  112.01100
   43    47    51    75.00000  107.44000
   43    47    52    90.00000  108.56700
   43    49    50    55.00000  108.50000
   47    43    44    45.00000  108.72000
   47    51    53    60.00000  127.66100
   47    51    57    65.00000  127.50000
   51    47    48    55.00000  103.44000
   51    53    54    35.00000  120.00000
   51    53    55    70.00000  120.00000
   51    57    56    70.00000  106.30000
   51    57    58    70.00000  120.54000
   53    55    56    70.00000  110.00000
   55    53    54    35.00000  120.00000
   55    56    57    70.00000  111.00000
   55    56    62    80.00000  112.32000
   56    57    58    65.00000  132.24000
   56    62    61    70.00000  117.00000
   56    62    65    70.00000  121.95500
   57    51    53    70.00000  109.80000
   57    58    59    85.00000  107.58000
   58    59    60    45.00000  121.92500
   58    59    61    80.00000  119.04400
   59    61    62    80.00000  121.67000
   59    61    63    70.00000  121.20000
   61    59    60    45.00000  112.72000
   61    62    65    90.00000  116.72000
   61    63    64    55.00000  103.44000
   61    63    68    75.00000  107.44000
   61    63    78   105.00000  106.22000
   62    56    57    65.00000  119.06800
   62    65    66    35.00000  120.00000
   62    65    67    35.00000  120.00000
   67    65    66    35.00000  120.00000
   63    61    62    65.00000  122.98000
   63    68    69    45.00000  108.72000
   63    68    70    75.00000  109.43000
   63    68    72    90.00000  111.58700
   63    78    74    60.00000  109.50000
   68    63    64    45.00000  112.01100
   68    70    71    37.50000  110.70000
   68    70    74    58.35000  112.70000
   68    70    76    50.00000  109.50000
   68    72    73    55.00000  108.50000
   70    68    69    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    78    50.00000  109.50000
   70    74    79    58.35000  112.70000
   70    76    77    55.00000  108.50000
   74    70    71    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    50.00000  109.50000
   78    63    64    35.00000  109.50000
   78    63    68    90.00000  108.56700
   78    74    75    35.00000  109.50000
   79    74    75    37.50000  110.70000
   79    74    78    50.00000  109.50000
   79    82    83   100.00000  120.50000
   81    79    80    33.00000  107.80000
   82    79    80    35.00000  109.50000
   82    79    81    35.00000  109.50000
   82    83    84   100.00000  108.23000
   82    83    85   100.00000  108.23000
   82    83    86    45.00000  102.60000
   83    86    87    50.00000  132.62000
   85    83    84   140.00000  119.90000
   86    83    84   100.00000  108.23000
   86    83    85   100.00000  108.23000
   86    87    88    45.00000  102.60000
   86    87    89    45.00000  102.60000
   89    87    88    35.00000   94.00000
   76    70    71    35.00000  109.50000
   76    70    74    50.00000  109.50000
   72    68    69    35.00000  109.50000
   72    68    70    50.00000  109.50000
   52    39    40    35.00000  109.50000
   52    39    41    50.00000  109.50000
   52    47    48    35.00000  109.50000
   52    47    51   105.00000  106.22000
   49    43    44    35.00000  109.50000
   49    43    47    90.00000  111.58700
   45    41    42    35.00000  109.50000
   45    41    43    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    52   0.56750  1.0 1.0
   29    33    39    52  -0.07550 -1.0 2.0
   29    33    39    52   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.86500  1.0 1.0
   33    39    41    45  -0.17500 -1.0 2.0
   33    39    41    45   0.20800  1.0 3.0
   33    39    52    47   0.06250  1.0 1.0
   33    39    52    47  -0.01100 -1.0 2.0
   33    39    52    47   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    52   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    52   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    47   3.97050  1.0 1.0
   39    41    43    49   0.86500  1.0 1.0
   39    41    43    49  -0.17500 -1.0 2.0
   39    41    43    49   0.20800  1.0 3.0
   39    41    45    46  -0.11600  1.0 1.0
   39    41    45    46  -0.09450 -1.0 2.0
   39    41    45    46   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    52    47   0.37050  1.0 3.0
   41    39   -52    47   0.06250  1.0 1.0
   41    39   -52    47  -0.01100 -1.0 2.0
   41    39   -52    47   0.28050  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43    47    51  -0.64600  1.0 1.0
   41    43    47    51   0.58400 -1.0 2.0
   41    43   -47    52   0.62750  1.0 1.0
   41    43   -47    52  -0.30950 -1.0 2.0
   41    43   -47    52   0.27300  1.0 3.0
   41    43    49    50  -0.11600  1.0 1.0
   41    43    49    50  -0.09450 -1.0 2.0
   41    43    49    50   0.21250  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    49   0.23400  1.0 3.0
   42    41    45    46   0.19450  1.0 3.0
   43    41    45    46  -0.11600  1.0 1.0
   43    41    45    46  -0.09450 -1.0 2.0
   43    41    45    46   0.21250  1.0 3.0
   43    47    51    53   1.10250  1.0 1.0
   43    47    51    53   0.01650 -1.0 2.0
   43    47    51    53   0.39100  1.0 3.0
   43    47    51    57   1.10250  1.0 1.0
   43    47    51    57   0.01650 -1.0 2.0
   43    47    51    57   0.39100  1.0 3.0
   43    47   -52    39   0.06250  1.0 1.0
   43    47   -52    39  -0.01100 -1.0 2.0
   43    47   -52    39   0.28050  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    51   0.15000  1.0 3.0
   44    43    47    52   0.23400  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   47    43    49    50  -0.11600  1.0 1.0
   47    43    49    50  -0.09450 -1.0 2.0
   47    43    49    50   0.21250  1.0 3.0
   47    51    53    54   3.62500 -1.0 2.0
   47    51    53    55   3.62500 -1.0 2.0
   47    51    57    56   0.81400  1.0 1.0
   47    51    57    56   1.55550 -1.0 2.0
   47    51    57    58   3.62500 -1.0 2.0
   48    47    51    53   0.00000  1.0 1.0
   48    47    51    57   0.00000  1.0 1.0
   48    47    52    39   0.37050  1.0 3.0
   51    47    52    39  -2.37750  1.0 1.0
   51    47    52    39  -0.08150 -1.0 2.0
   51    47    52    39   0.59000  1.0 3.0
   51    53   -55    56   5.00000 -1.0 2.0
   51    57    58    59   1.25000 -1.0 2.0
   53    51   -57    56   1.40000 -1.0 2.0
   53    51    57    58   3.62500 -1.0 2.0
   53    55   -56    57   2.40000 -1.0 2.0
   53    55    56    62   3.62500 -1.0 2.0
   54    53    55    56   5.00000 -1.0 2.0
   55    56   -57    51   5.37500 -1.0 2.0
   55    56    57    58   3.62500 -1.0 2.0
   55    56    62    61   0.30050 -1.0 2.0
   55    56    62    61   0.16600  1.0 3.0
   55    56    62    65   0.82800 -1.0 2.0
   55    56    62    65  -0.30500 -1.0 4.0
   56    57    58    59   1.25000 -1.0 2.0
   56    62    65    66   1.50000 -1.0 2.0
   56    62    65    67   1.50000 -1.0 2.0
   57    51    53    54   2.32500 -1.0 2.0
   57    51   -53    55   2.32500 -1.0 2.0
   57    56    62    61   0.30050 -1.0 2.0
   57    56    62    61   0.16600  1.0 3.0
   57    56    62    65   0.64350 -1.0 2.0
   57    56    62    65  -0.29100 -1.0 4.0
   57    58    59    60   4.00000 -1.0 2.0
   57    58   -59    61   6.00000 -1.0 2.0
   58    59    61    62   3.62500 -1.0 2.0
   58    59    61    63   3.62500 -1.0 2.0
   59    61   -62    56   3.62500 -1.0 2.0
   59    61    62    65   3.62500 -1.0 2.0
   59    61    63    64   0.00000  1.0 1.0
   59    61    63    68   2.08450  1.0 1.0
   59    61    63    68  -0.39300 -1.0 2.0
   59    61    63    68   0.23400  1.0 3.0
   59    61    63    78  -0.28000  1.0 1.0
   59    61    63    78  -1.16550 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   60    59    61    63   1.88100 -1.0 2.0
   61    62    65    66   1.50000 -1.0 2.0
   61    62    65    67   1.50000 -1.0 2.0
   61    63    68    69   0.15000  1.0 3.0
   61    63    68    70  -0.27100  1.0 1.0
   61    63    68    70  -0.01700 -1.0 2.0
   61    63    68    70  -0.48600  1.0 3.0
   61    63    68    72   2.76900  1.0 1.0
   61    63    68    72  -0.24350 -1.0 2.0
   61    63    68    72  -0.78250  1.0 3.0
   61    63    78    74  -2.37750  1.0 1.0
   61    63    78    74  -0.08150 -1.0 2.0
   61    63    78    74   0.59000  1.0 3.0
   62    56    57    51   3.62500 -1.0 2.0
   62    56   -57    58   3.62500 -1.0 2.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    68   2.08450  1.0 1.0
   62    61    63    68  -0.39300 -1.0 2.0
   62    61    63    68   0.23400  1.0 3.0
   62    61    63    78  -0.28000  1.0 1.0
   62    61    63    78  -1.16550 -1.0 2.0
   63    61    62    56   3.62500 -1.0 2.0
   63    61    62    65   3.62500 -1.0 2.0
   63    68    70    71   0.15000  1.0 3.0
   63    68   -70    74   3.97050  1.0 1.0
   63    68    70    76   0.86500  1.0 1.0
   63    68    70    76  -0.17500 -1.0 2.0
   63    68    70    76   0.20800  1.0 3.0
   63    68    72    73  -0.11600  1.0 1.0
   63    68    72    73  -0.09450 -1.0 2.0
   63    68    72    73   0.21250  1.0 3.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    70   0.15000  1.0 3.0
   64    63    68    72   0.23400  1.0 3.0
   64    63    78    74   0.37050  1.0 3.0
   68    63   -78    74   0.06250  1.0 1.0
   68    63   -78    74  -0.01100 -1.0 2.0
   68    63   -78    74   0.28050  1.0 3.0
   68    70    74    75   0.15000  1.0 3.0
   68    70   -74    78   0.62750  1.0 1.0
   68    70   -74    78  -0.30950 -1.0 2.0
   68    70   -74    78   0.27300  1.0 3.0
   68    70    74    79   0.56750  1.0 1.0
   68    70    74    79  -0.07550 -1.0 2.0
   68    70    74    79   0.20000  1.0 3.0
   68    70    76    77  -0.11600  1.0 1.0
   68    70    76    77  -0.09450 -1.0 2.0
   68    70    76    77   0.21250  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    74   0.15000  1.0 3.0
   69    68    70    76   0.23400  1.0 3.0
   69    68    72    73   0.19450  1.0 3.0
   70    68    72    73  -0.11600  1.0 1.0
   70    68    72    73  -0.09450 -1.0 2.0
   70    68    72    73   0.21250  1.0 3.0
   70    74   -78    63   0.06250  1.0 1.0
   70    74   -78    63  -0.01100 -1.0 2.0
   70    74   -78    63   0.28050  1.0 3.0
   70    74    79    80   0.15000  1.0 3.0
   70    74    79    81   0.15000  1.0 3.0
   70    74    79    82   0.62750  1.0 1.0
   70    74    79    82  -0.30950 -1.0 2.0
   70    74    79    82   0.27300  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    78   0.23400  1.0 3.0
   71    70    74    79   0.15000  1.0 3.0
   71    70    76    77   0.19450  1.0 3.0
   74    70    76    77  -0.11600  1.0 1.0
   74    70    76    77  -0.09450 -1.0 2.0
   74    70    76    77   0.21250  1.0 3.0
   74    79    82    83  -2.65550  1.0 1.0
   74    79    82    83  -0.22350 -1.0 2.0
   74    79    82    83   0.24150  1.0 3.0
   75    74    78    63   0.37050  1.0 3.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    82   0.23400  1.0 3.0
   78    63    68    69   0.23400  1.0 3.0
   78    63   -68    70   0.62750  1.0 1.0
   78    63   -68    70  -0.30950 -1.0 2.0
   78    63   -68    70   0.27300  1.0 3.0
   78    63    68    72   3.69350  1.0 1.0
   78    63    68    72  -1.82950 -1.0 2.0
   78    74    79    80   0.23400  1.0 3.0
   78    74    79    81   0.23400  1.0 3.0
   78    74    79    82   1.11900  1.0 1.0
   78    74    79    82  -1.16350 -1.0 2.0
   78    74    79    82  -0.34150  1.0 3.0
   79    74    78    63   0.06250  1.0 1.0
   79    74    78    63  -0.01100 -1.0 2.0
   79    74    78    63   0.28050  1.0 3.0
   79    82    83    84   0.00000  1.0 1.0
   79    82    83    85   0.00000  1.0 1.0
   79    82    83    86   0.05050  1.0 1.0
   79    82    83    86  -1.30700 -1.0 2.0
   79    82    83    86   0.91550  1.0 3.0
   80    79    82    83   0.03000  1.0 3.0
   81    79    82    83   0.03000  1.0 3.0
   82    83    86    87   0.15000  1.0 3.0
   83    86    87    88   0.15000  1.0 3.0
   83    86    87    89   0.15000  1.0 3.0
   84    83    86    87   0.50000  1.0 3.0
   85    83    86    87   0.50000  1.0 3.0
   76    70    74    75   0.23400  1.0 3.0
   76    70    74    78   3.69350  1.0 1.0
   76    70    74    78  -1.82950 -1.0 2.0
   76    70    74    79   0.86500  1.0 1.0
   76    70    74    79  -0.17500 -1.0 2.0
   76    70    74    79   0.20800  1.0 3.0
   72    68    70    71   0.23400  1.0 3.0
   72    68    70    74   0.86500  1.0 1.0
   72    68    70    74  -0.17500 -1.0 2.0
   72    68    70    74   0.20800  1.0 3.0
   72    68    70    76   3.75450  1.0 1.0
   52    39    41    42   0.23400  1.0 3.0
   52    39   -41    43   0.62750  1.0 1.0
   52    39   -41    43  -0.30950 -1.0 2.0
   52    39   -41    43   0.27300  1.0 3.0
   52    39    41    45   3.69350  1.0 1.0
   52    39    41    45  -1.82950 -1.0 2.0
   52    47    51    53   0.10350  1.0 1.0
   52    47    51    53  -0.15350 -1.0 2.0
   52    47    51    57   0.10350  1.0 1.0
   52    47    51    57  -0.15350 -1.0 2.0
   49    43    47    48   0.23400  1.0 3.0
   49    43    47    51   2.76900  1.0 1.0
   49    43    47    51  -0.24350 -1.0 2.0
   49    43    47    51  -0.78250  1.0 3.0
   49    43    47    52   3.69350  1.0 1.0
   49    43    47    52  -1.82950 -1.0 2.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    47   0.86500  1.0 1.0
   45    41    43    47  -0.17500 -1.0 2.0
   45    41    43    47   0.20800  1.0 3.0
   45    41    43    49   3.75450  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
   37    30    36    38  10.50000 -1.0 2.0
   53    57    51    47   4.00000 -1.0 2.0
   55    54    53    51   1.10000 -1.0 2.0
   57    62    56    55   4.00000 -1.0 2.0
   56    58    57    51   4.00000 -1.0 2.0
   61    60    59    58  10.50000 -1.0 2.0
   63    59    61    62   1.00000 -1.0 2.0
   61    56    62    65  10.50000 -1.0 2.0
   66    67    65    62   1.00000 -1.0 2.0
END
