* LIGAND DATABASE FILE (OPLS2005)
*
001      90    93    166    251     479
    1     0 S   NP   _N1_     1    29.77594    98.63644   -25.69599
    2     1 S   H    _HN1     2     1.02786    84.67124   -49.63400
    3     1 S   H    _H1_     3     1.02924    26.68840   160.94900
    4     1 S   H    _H2_     4     1.03036   129.54146  -159.06785
    5     1 S   CT   _CA1     5     1.50559   107.50488    61.23499
    6     5 S   HC   _HA1     6     1.09616   104.53649    92.77828
    7     5 S   CO3  _C1_     7     1.54448   111.14373   -22.53427
    8     7 S   O2Z  _O11     8     1.26005   116.81924  -127.26516
    9     7 S   O2Z  _O12     9     1.26648   113.75651    51.87966
   10     5 S   CT   _CB1    10     1.53080   106.89602  -150.81560
   11    10 S   HC   HB11    11     1.09854   110.34098   -36.94847
   12    10 S   HC   HB12    12     1.09749   110.04477    79.71775
   13    10 S   CT   _CG1    13     1.53026   112.26974  -157.25047
   14    13 S   HC   HG11    14     1.09492   111.32729   -58.49033
   15    13 S   HC   HG12    15     1.09611   109.30672    60.45450
   16    13 S   C    _CD1    16     1.51752   111.68600  -178.60591
   17    16 S   O    _OE1    17     1.22831   123.02124    22.94109
   18    16 S   N    _N2_    18     1.38418   112.22032  -158.44253
   19    18 S   H    _HN2    19     1.02006   119.39408     3.95894
   20    18 S   CT1  _CA2    20     1.45864   122.65355   178.09207
   21    20 S   HC   _HA2    21     1.09683   108.64323    32.24033
   22    20 S   C    _C2_    22     1.53204   108.60973   -84.50297
   23    22 S   O    _O2_    23     1.23134   120.91406   148.94243
   24    20 S   CT   _CB2    32     1.53168   112.08574   155.45447
   25    24 S   HC   HB21    33     1.09441   109.74019    60.74369
   26    24 S   HC   HB22    34     1.09561   110.06002   178.75793
   27    22 S   N    _N3_    24     1.38478   114.30469   -38.73371
   28    27 S   H    _HN3    25     1.01717   118.97131     4.98287
   29    24 S   S    _SG2    35     1.82806   112.06300   -60.72966
   30    27 S   CT   _CA3    26     1.45342   123.45086  -179.18627
   31    30 S   HC   HA31    27     1.09537   108.88822    30.30798
   32    30 S   HC   HA32    28     1.09464   106.83856   147.19784
   33    29 S   CT   _C18    36     1.83428    98.85448   169.13068
   34    33 S   HC   _H10    37     1.09484   107.06809    64.39778
   35    30 S   CO3  _C3_    29     1.53114   114.83200   -92.10363
   36    35 S   O2Z  _O31    30     1.26266   116.70573    -6.34418
   37    35 S   O2Z  _O32    31     1.26623   114.09420   173.85468
   38    33 S   CT   _C17    38     1.52901   114.95571  -172.74861
   39    38 S   HC   _H9_    39     1.09815   108.02961  -155.13406
   40    38 S   CT   _C16    40     1.51849   103.14492    90.53028
   41    40 S   HC   _H8_    41     1.09367   112.81761   157.72348
   42    38 S   OH   _O42    89     1.41121   115.03290   -34.89399
   43    42 S   HO   _H17    90     0.97239   107.66559   165.66511
   44    40 S   CT   _C15    42     1.52656   100.99907    37.44180
   45    44 S   HC   _H7_    43     1.09719   110.07149    82.27458
   46    40 S   OH   _O43    87     1.42338   111.15203   -81.91789
   47    46 S   HO   _H18    88     0.97377   108.36302    52.66919
   48    33 S   OS   _O41    44     1.43882   110.58992   -53.96751
   49    44 S   CT   _C14    45     1.52380   115.27898  -152.91667
   50    49 S   HC   _H15    46     1.09258   111.24425    59.62888
   51    49 S   HC   _H16    47     1.09424   110.24631   -61.42316
   52    49 S   OS   _O40    48     1.42363   108.48409   178.24989
   53    52 S   P2   _P2_    49     1.63095   120.03073   167.71854
   54    53 S   O2Z  _O39    50     1.51409   108.73104   -51.52457
   55    53 S   O2Z  _O38    51     1.51270   108.03197   176.74556
   56    53 S   OS   _O37    52     1.62507   101.04751    62.14693
   57    56 S   P2   _P1_    53     1.62441   134.52599    58.74186
   58    57 S   O2Z  _O36    54     1.51401   108.18588   170.60468
   59    57 S   O2Z  _O35    55     1.51202   109.38247   -57.59663
   60    57 S   OS   _O34    56     1.62958   100.60144    55.73759
   61    60 S   CT   _C13    57     1.42486   120.20783    70.67537
   62    61 S   HC   _H13    58     1.09328   108.47641   -76.65012
   63    61 S   HC   _H14    59     1.09150   108.93383    41.86932
   64    61 S   CT   _C12    60     1.52714   107.77127   162.78360
   65    64 S   HC   _H6_    61     1.09679   108.54611    52.47393
   66    64 S   CT   _C11    62     1.52878   116.40683   176.93152
   67    66 S   HC   _H5_    63     1.09755   108.19524  -145.74922
   68    66 S   CT   _C10    64     1.52042   104.19120    98.77675
   69    68 S   HC   _H4_    65     1.09391   112.60138   153.92626
   70    66 S   OH   _O44    85     1.41206   113.90638   -25.70239
   71    70 S   HO   _H19    86     0.97229   107.69875   165.29685
   72    68 S   CO   _C9_    66     1.52633   100.92930    33.77950
   73    72 S   HC   _H3_    67     1.09737   110.11300    80.56638
   74    68 S   OH   _O45    83     1.42341   110.54121   -86.53282
   75    74 S   HO   _H20    84     0.97251   108.79473    69.80640
   76    72 S   N*   _N6_    68     1.44656   116.35156  -156.40771
   77    64 S   OS   _O33    82     1.44506   108.81965   -63.06773
   78    76 S   CRAB _C8_    69     1.37007   125.38359  -103.71295
   79    78 S   HA   _H12    70     1.08165   122.51335     1.02259
   80    78 S   NNA  _N7_    71     1.31695   112.10267  -178.62527
   81    80 S   C56B _C6_    72     1.37598   104.99446     0.49377
   82    76 S   C56A _C7_    73     1.36838   127.52886    77.81861
   83    82 S   NB   _N5_    74     1.34076   127.74295    -2.28533
   84    83 S   CQ   _C4_    75     1.34391   110.90972   179.30226
   85    84 S   HA   _H11    76     1.08449   115.53373  -179.59170
   86    84 S   NB   _N4_    77     1.35493   128.64179     0.65521
   87    81 S   CA   _C5_    78     1.40438   131.88303   179.50901
   88    87 S   NND  _N8_    79     1.38152   122.10011    -0.45154
   89    88 S   H    _H21    80     1.01119   120.03924    -1.04380
   90    88 S   H    _H22    81     1.00928   119.79562  -180.00000
  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   8   5   4   3
  12   6   2   1   1  11   7  12   7   4   1   9   6   3   1   4
   7   3   2   5   7   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    48    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    45    48    49    46    42    43  
   38    39    40    44    48    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    49    46    47    42    43  
   40    41    44    48    46    42    43  
   41    44    45    48    49    50    51    52    46    47    42    43  
   44    45    48    49    46    47    42  
   43    44    46    48  
    0  
   45    48    49    50    51    52    53    46    47  
   48    49    50    51    52    46  
   47    48    49  
    0  
   49    50    51    52  
   50    51    52    53    54    55    56  
   51    52    53  
   52    53  
   53    54    55    56    57  
   54    55    56    57    58    59    60  
   55    56    57  
   56    57  
   57    58    59    60    61  
   58    59    60    61    62    63    64  
   59    60    61  
   60    61  
   61    62    63    64    65    66    77  
   62    63    64    65    66    67    68    72    77    70  
   63    64    65    66    77  
   64    65    66    77  
   65    66    67    68    69    72    73    76    77    74    70    71  
   66    67    68    72    77    70  
   67    68    69    72    73    76    77    74    75    70    71  
   68    69    72    77    74    70    71  
   69    72    73    76    78    82    77    74    75    70    71  
   72    73    76    77    74    75    70  
   71    72    74    77  
    0  
   73    76    78    79    80    81    82    83    77    74    75  
   76    78    82    77    74  
   75    76    77  
    0  
   78    79    80    81    82    83    84    87    77  
   78    82  
   79    80    81    82    83    87  
   80    81    82  
   81    82    83    86    87    88  
   82    83    84    86    87    88    89    90  
   83    84    85    86    87    88  
   84    85    86    87  
   85    86    87    88  
   86    87  
   87    88    89    90  
   88    89    90  
   89    90  
   90  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   54   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   55   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   56   2.8500   0.1400  -0.022200   1.5900   1.4000   0.020110767  -0.896042159
   57   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   58   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   59   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   60   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0500   0.100000   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   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   77   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   80   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   81   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
   83   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   84   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   86   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   87   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   88   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   89   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   90   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    48   320.000  1.410
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    48   320.000  1.410
   44    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   320.000  1.410
   52    53   230.000  1.697
   53    54   525.000  1.480
   53    55   525.000  1.480
   53    56   230.000  1.697
   56    57   230.000  1.697
   57    58   525.000  1.480
   57    59   525.000  1.480
   57    60   230.000  1.697
   60    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    77   320.000  1.410
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    70   320.000  1.410
   68    69   340.000  1.090
   68    72   250.000  1.527
   68    74   320.000  1.410
   72    73   340.000  1.090
   72    76   275.000  1.479
   72    77   320.000  1.380
   76    78   440.000  1.371
   76    82   436.000  1.374
   78    79   367.000  1.080
   78    80   529.000  1.304
   80    81   414.000  1.391
   81    82   447.000  1.419
   81    87   469.000  1.404
   82    83   461.000  1.354
   83    84   502.000  1.324
   84    85   367.000  1.080
   84    86   502.000  1.324
   86    87   483.000  1.339
   87    88   481.000  1.340
   88    89   434.000  1.010
   88    90   434.000  1.010
   74    75   553.000  0.945
   70    71   553.000  0.945
   46    47   553.000  0.945
   42    43   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    48    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    48    44    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    48    50.00000  109.50000
   40    44    49    58.35000  112.70000
   40    46    47    55.00000  108.50000
   44    40    41    37.50000  110.70000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    52    50.00000  109.50000
   48    33    34    35.00000  109.50000
   48    33    38    50.00000  109.50000
   48    44    45    35.00000  109.50000
   49    44    45    37.50000  110.70000
   49    44    48    50.00000  109.50000
   49    52    53   100.00000  120.50000
   51    49    50    33.00000  107.80000
   52    49    50    35.00000  109.50000
   52    49    51    35.00000  109.50000
   52    53    54   100.00000  108.23000
   52    53    55   100.00000  108.23000
   52    53    56    45.00000  102.60000
   53    56    57    50.00000  132.62000
   55    53    54   140.00000  119.90000
   56    53    54   100.00000  108.23000
   56    53    55   100.00000  108.23000
   56    57    58   100.00000  108.23000
   56    57    59   100.00000  108.23000
   56    57    60    45.00000  102.60000
   57    60    61   100.00000  120.50000
   59    57    58   140.00000  119.90000
   60    57    58   100.00000  108.23000
   60    57    59   100.00000  108.23000
   60    61    62    35.00000  109.50000
   60    61    63    35.00000  109.50000
   60    61    64    50.00000  109.50000
   61    64    65    37.50000  110.70000
   61    64    66    58.35000  112.70000
   61    64    77    50.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    66    67    37.50000  110.70000
   64    66    68    58.35000  112.70000
   64    66    70    50.00000  109.50000
   64    77    72    60.00000  109.50000
   66    64    65    37.50000  110.70000
   66    68    69    37.50000  110.70000
   66    68    72    75.00000  109.43000
   66    68    74    50.00000  109.50000
   66    70    71    55.00000  108.50000
   68    66    67    37.50000  110.70000
   68    72    73    45.00000  112.01100
   68    72    76    75.00000  107.44000
   68    72    77    90.00000  108.56700
   68    74    75    55.00000  108.50000
   72    68    69    45.00000  108.72000
   72    76    78    70.00000  128.80000
   72    76    82    70.00000  125.80000
   76    72    73    55.00000  103.44000
   76    78    79    35.00000  123.05000
   76    78    80    70.00000  113.90000
   76    82    81    70.00000  106.20000
   76    82    83    70.00000  126.20000
   78    80    81    70.00000  103.80000
   80    78    79    35.00000  123.05000
   80    81    82    70.00000  110.40000
   80    81    87    70.00000  132.40000
   81    82    83    70.00000  127.70000
   81    87    86    70.00000  117.30000
   81    87    88    70.00000  123.50000
   82    76    78    70.00000  105.40000
   82    83    84    70.00000  111.00000
   83    84    85    35.00000  115.45000
   83    84    86    70.00000  129.10000
   84    86    87    70.00000  118.60000
   86    84    85    35.00000  115.45000
   86    87    88    70.00000  119.30000
   87    81    82    85.00000  116.20000
   87    88    89    35.00000  120.00000
   87    88    90    35.00000  120.00000
   90    88    89    35.00000  120.00000
   77    64    65    35.00000  109.50000
   77    64    66    50.00000  109.50000
   77    72    73    35.00000  109.50000
   77    72    76   105.00000  106.22000
   74    68    69    35.00000  109.50000
   74    68    72    90.00000  111.58700
   70    66    67    35.00000  109.50000
   70    66    68    50.00000  109.50000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    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    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    48   0.13850  1.0 1.0
   24    29    33    48  -1.34450 -1.0 2.0
   24    29    33    48   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    48    44   0.14700  1.0 1.0
   29    33    48    44  -1.16150 -1.0 2.0
   29    33    48    44   0.48700  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38   -40    44   0.56750  1.0 1.0
   33    38   -40    44  -0.07550 -1.0 2.0
   33    38   -40    44   0.20000  1.0 3.0
   33    38    40    46   0.86500  1.0 1.0
   33    38    40    46  -0.17500 -1.0 2.0
   33    38    40    46   0.20800  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    48    44   0.37050  1.0 3.0
   38    33   -48    44   0.06250  1.0 1.0
   38    33   -48    44  -0.01100 -1.0 2.0
   38    33   -48    44   0.28050  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    48   0.62750  1.0 1.0
   38    40   -44    48  -0.30950 -1.0 2.0
   38    40   -44    48   0.27300  1.0 3.0
   38    40    44    49   0.56750  1.0 1.0
   38    40    44    49  -0.07550 -1.0 2.0
   38    40    44    49   0.20000  1.0 3.0
   38    40    46    47  -0.11600  1.0 1.0
   38    40    46    47  -0.09450 -1.0 2.0
   38    40    46    47   0.21250  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44   -48    33   0.06250  1.0 1.0
   40    44   -48    33  -0.01100 -1.0 2.0
   40    44   -48    33   0.28050  1.0 3.0
   40    44    49    50   0.15000  1.0 3.0
   40    44    49    51   0.15000  1.0 3.0
   40    44    49    52   0.62750  1.0 1.0
   40    44    49    52  -0.30950 -1.0 2.0
   40    44    49    52   0.27300  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    48   0.23400  1.0 3.0
   41    40    44    49   0.15000  1.0 3.0
   41    40    46    47   0.19450  1.0 3.0
   44    40    46    47  -0.11600  1.0 1.0
   44    40    46    47  -0.09450 -1.0 2.0
   44    40    46    47   0.21250  1.0 3.0
   44    49    52    53  -2.65550  1.0 1.0
   44    49    52    53  -0.22350 -1.0 2.0
   44    49    52    53   0.24150  1.0 3.0
   45    44    48    33   0.37050  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   45    44    49    51   0.15000  1.0 3.0
   45    44    49    52   0.23400  1.0 3.0
   48    33    38    39   0.23400  1.0 3.0
   48    33   -38    40   0.62750  1.0 1.0
   48    33   -38    40  -0.30950 -1.0 2.0
   48    33   -38    40   0.27300  1.0 3.0
   48    33    38    42   3.69350  1.0 1.0
   48    33    38    42  -1.82950 -1.0 2.0
   48    44    49    50   0.23400  1.0 3.0
   48    44    49    51   0.23400  1.0 3.0
   48    44    49    52   1.11900  1.0 1.0
   48    44    49    52  -1.16350 -1.0 2.0
   48    44    49    52  -0.34150  1.0 3.0
   49    44    48    33   0.06250  1.0 1.0
   49    44    48    33  -0.01100 -1.0 2.0
   49    44    48    33   0.28050  1.0 3.0
   49    52    53    54   0.00000  1.0 1.0
   49    52    53    55   0.00000  1.0 1.0
   49    52    53    56   0.05050  1.0 1.0
   49    52    53    56  -1.30700 -1.0 2.0
   49    52    53    56   0.91550  1.0 3.0
   50    49    52    53   0.03000  1.0 3.0
   51    49    52    53   0.03000  1.0 3.0
   52    53    56    57   0.15000  1.0 3.0
   53    56    57    58   0.50000  1.0 3.0
   53    56    57    59   0.50000  1.0 3.0
   53    56    57    60   0.15000  1.0 3.0
   54    53    56    57   0.50000  1.0 3.0
   55    53    56    57   0.50000  1.0 3.0
   56    57    60    61   0.05050  1.0 1.0
   56    57    60    61  -1.30700 -1.0 2.0
   56    57    60    61   0.91550  1.0 3.0
   57    60    61    62   0.03000  1.0 3.0
   57    60    61    63   0.03000  1.0 3.0
   57    60    61    64  -2.65550  1.0 1.0
   57    60    61    64  -0.22350 -1.0 2.0
   57    60    61    64   0.24150  1.0 3.0
   58    57    60    61   0.00000  1.0 1.0
   59    57    60    61   0.00000  1.0 1.0
   60    61    64    65   0.23400  1.0 3.0
   60    61    64    66   0.62750  1.0 1.0
   60    61    64    66  -0.30950 -1.0 2.0
   60    61    64    66   0.27300  1.0 3.0
   60    61    64    77   1.11900  1.0 1.0
   60    61    64    77  -1.16350 -1.0 2.0
   60    61    64    77  -0.34150  1.0 3.0
   61    64    66    67   0.15000  1.0 3.0
   61    64    66    68   0.56750  1.0 1.0
   61    64    66    68  -0.07550 -1.0 2.0
   61    64    66    68   0.20000  1.0 3.0
   61    64    66    70   0.86500  1.0 1.0
   61    64    66    70  -0.17500 -1.0 2.0
   61    64    66    70   0.20800  1.0 3.0
   61    64    77    72   0.06250  1.0 1.0
   61    64    77    72  -0.01100 -1.0 2.0
   61    64    77    72   0.28050  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    77   0.23400  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    77   0.23400  1.0 3.0
   64    66    68    69   0.15000  1.0 3.0
   64    66   -68    72   3.97050  1.0 1.0
   64    66    68    74   0.86500  1.0 1.0
   64    66    68    74  -0.17500 -1.0 2.0
   64    66    68    74   0.20800  1.0 3.0
   64    66    70    71  -0.11600  1.0 1.0
   64    66    70    71  -0.09450 -1.0 2.0
   64    66    70    71   0.21250  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68   0.15000  1.0 3.0
   65    64    66    70   0.23400  1.0 3.0
   65    64    77    72   0.37050  1.0 3.0
   66    64   -77    72   0.06250  1.0 1.0
   66    64   -77    72  -0.01100 -1.0 2.0
   66    64   -77    72   0.28050  1.0 3.0
   66    68    72    73   0.15000  1.0 3.0
   66    68    72    76  -0.64600  1.0 1.0
   66    68    72    76   0.58400 -1.0 2.0
   66    68   -72    77   0.62750  1.0 1.0
   66    68   -72    77  -0.30950 -1.0 2.0
   66    68   -72    77   0.27300  1.0 3.0
   66    68    74    75  -0.11600  1.0 1.0
   66    68    74    75  -0.09450 -1.0 2.0
   66    68    74    75   0.21250  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    72   0.15000  1.0 3.0
   67    66    68    74   0.23400  1.0 3.0
   67    66    70    71   0.19450  1.0 3.0
   68    66    70    71  -0.11600  1.0 1.0
   68    66    70    71  -0.09450 -1.0 2.0
   68    66    70    71   0.21250  1.0 3.0
   68    72    76    78   1.10250  1.0 1.0
   68    72    76    78   0.01650 -1.0 2.0
   68    72    76    78   0.39100  1.0 3.0
   68    72    76    82   1.10250  1.0 1.0
   68    72    76    82   0.01650 -1.0 2.0
   68    72    76    82   0.39100  1.0 3.0
   68    72   -77    64   0.06250  1.0 1.0
   68    72   -77    64  -0.01100 -1.0 2.0
   68    72   -77    64   0.28050  1.0 3.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    76   0.15000  1.0 3.0
   69    68    72    77   0.23400  1.0 3.0
   69    68    74    75   0.19450  1.0 3.0
   72    68    74    75  -0.11600  1.0 1.0
   72    68    74    75  -0.09450 -1.0 2.0
   72    68    74    75   0.21250  1.0 3.0
   72    76    78    79   3.62500 -1.0 2.0
   72    76    78    80   3.62500 -1.0 2.0
   72    76    82    81   0.81400  1.0 1.0
   72    76    82    81   1.55550 -1.0 2.0
   72    76    82    83   3.62500 -1.0 2.0
   73    72    76    78   0.00000  1.0 1.0
   73    72    76    82   0.00000  1.0 1.0
   73    72    77    64   0.37050  1.0 3.0
   76    72    77    64  -2.37750  1.0 1.0
   76    72    77    64  -0.08150 -1.0 2.0
   76    72    77    64   0.59000  1.0 3.0
   76    78   -80    81   3.62500 -1.0 2.0
   76    82    83    84   3.62500 -1.0 2.0
   78    76   -82    81   0.70250  1.0 1.0
   78    76   -82    81   1.56150 -1.0 2.0
   78    76    82    83   3.62500 -1.0 2.0
   78    80   -81    82   3.62500 -1.0 2.0
   78    80    81    87   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   80    81   -82    76   3.62500 -1.0 2.0
   80    81    82    83   3.62500 -1.0 2.0
   80    81    87    86   3.62500 -1.0 2.0
   80    81    87    88   3.62500 -1.0 2.0
   81    82    83    84   3.62500 -1.0 2.0
   81    87    88    89   0.70000 -1.0 2.0
   81    87    88    90   0.70000 -1.0 2.0
   82    76    78    79   3.62500 -1.0 2.0
   82    76   -78    80   3.62500 -1.0 2.0
   82    81    87    86   3.62500 -1.0 2.0
   82    81    87    88   3.62500 -1.0 2.0
   82    83    84    85   3.62500 -1.0 2.0
   82    83   -84    86   3.62500 -1.0 2.0
   83    84    86    87   3.62500 -1.0 2.0
   84    86   -87    81   3.62500 -1.0 2.0
   84    86    87    88   3.62500 -1.0 2.0
   85    84    86    87   3.62500 -1.0 2.0
   86    87    88    89   0.70000 -1.0 2.0
   86    87    88    90   0.70000 -1.0 2.0
   87    81    82    76   3.00000 -1.0 2.0
   87    81   -82    83   3.62500 -1.0 2.0
   77    64    66    67   0.23400  1.0 3.0
   77    64   -66    68   0.62750  1.0 1.0
   77    64   -66    68  -0.30950 -1.0 2.0
   77    64   -66    68   0.27300  1.0 3.0
   77    64    66    70   3.69350  1.0 1.0
   77    64    66    70  -1.82950 -1.0 2.0
   77    72    76    78   0.10350  1.0 1.0
   77    72    76    78  -0.15350 -1.0 2.0
   77    72    76    82   0.10350  1.0 1.0
   77    72    76    82  -0.15350 -1.0 2.0
   74    68    72    73   0.23400  1.0 3.0
   74    68    72    76   2.76900  1.0 1.0
   74    68    72    76  -0.24350 -1.0 2.0
   74    68    72    76  -0.78250  1.0 3.0
   74    68    72    77   3.69350  1.0 1.0
   74    68    72    77  -1.82950 -1.0 2.0
   70    66    68    69   0.23400  1.0 3.0
   70    66    68    72   0.86500  1.0 1.0
   70    66    68    72  -0.17500 -1.0 2.0
   70    66    68    72   0.20800  1.0 3.0
   70    66    68    74   3.75450  1.0 1.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    48   3.69350  1.0 1.0
   46    40    44    48  -1.82950 -1.0 2.0
   46    40    44    49   0.86500  1.0 1.0
   46    40    44    49  -0.17500 -1.0 2.0
   46    40    44    49   0.20800  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   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
   36    30    35    37  10.50000 -1.0 2.0
   78    82    76    72   4.00000 -1.0 2.0
   80    79    78    76   1.10000 -1.0 2.0
   82    87    81    80   4.00000 -1.0 2.0
   81    83    82    76   4.00000 -1.0 2.0
   86    85    84    83   1.10000 -1.0 2.0
   86    88    87    81   4.00000 -1.0 2.0
   90    87    88    89   1.00000 -1.0 2.0
END
