* LIGAND DATABASE FILE (OPLS2005)
*
001      88    90    158    238     456
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02112    93.78425   -62.56868
    3     1 S   H    _H1_     3     1.02044    86.51120    45.91942
    4     1 S   H    _H2_     4     1.02082    33.35921   178.57275
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08611   110.43906    58.89593
   26    24 S   HC   HB22    34     1.08669   109.83319   178.93210
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CO   _C15    36     1.84409   100.84413   179.97202
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C16    37     1.53351   107.98294    80.04794
   38    37 S   HC   _H11    38     1.09459   112.64470   -61.92223
   39    37 S   HC   _H12    39     1.09772   109.83940    56.08263
   40    37 S   HC   _H13    40     1.09646   112.03144   174.07328
   41    33 S   OH   _O35    41     1.43123   110.85746  -165.99901
   42    41 S   HO   _H14    42     0.97238   106.88055   -56.16863
   43    33 S   OS   _O34    43     1.44195   113.31402   -36.78348
   44    43 S   CA   _C13    44     1.36041   122.14228   -91.88101
   45    44 S   CA   _C12    45     1.39043   120.21930  -150.01474
   46    45 S   HA   _H9_    46     1.08684   120.26489     0.68586
   47    45 S   CA   _C11    47     1.39739   120.15409  -179.61794
   48    47 S   HA   _H8_    48     1.08706   117.55267   179.66254
   49    47 S   CA   _C10    49     1.40520   121.14469    -0.45842
   50    49 S   CA   _C9_    50     1.39799   117.74488    -0.33688
   51    44 S   CA   _C14    51     1.39144   120.20847    30.00567
   52    51 S   HA   _H10    52     1.08738   119.86935     0.99347
   53    50 S   OS   _O33    53     1.36594   122.87412   178.95208
   54    53 S   CT   _C8_    54     1.44739   117.11224    23.81128
   55    54 S   CM   _C7_    55     1.53153   113.28448   -33.71335
   56    54 S   CT   _C17    81     1.53911   106.89285    89.13455
   57    56 S   HC   _H15    82     1.08400   109.17459    55.89244
   58    56 S   HC   _H16    83     1.08478   109.19077   -64.16543
   59    56 S   HC   _H17    84     1.08516   109.13461   175.84018
   60    54 S   CT   _C18    85     1.54016   103.35905  -156.27124
   61    60 S   HC   _H18    86     1.08588   109.30235   -57.17302
   62    60 S   HC   _H19    87     1.08518   109.28729  -177.18756
   63    60 S   HC   _H20    88     1.08540   109.36145    62.76692
   64    55 S   CA   _C19    56     1.47882   117.48894  -158.97188
   65    49 S   CM   _C6_    73     1.47898   122.91680   178.10679
   66    64 S   CA   _C20    57     1.39516   119.94900   -88.39595
   67    66 S   HA   _H21    58     1.08754   120.89749     0.02798
   68    65 S   CT   _C5_    74     1.50838   117.81855    -9.80394
   69    68 S   HC   _H6_    75     1.08937   107.75206  -149.54568
   70    68 S   HC   _H7_    76     1.08897   107.38115   -32.07286
   71    66 S   CA   _C21    59     1.39440   119.99382   180.00000
   72    71 S   HA   _H22    60     1.08624   119.69038  -179.97202
   73    68 S   CT   _C4_    77     1.50975   110.00108    89.04058
   74    73 S   HC   _H3_    78     1.09492   109.89886   -60.67809
   75    73 S   HC   _H4_    79     1.09529   111.26788   179.36542
   76    73 S   HC   _H5_    80     1.09473   111.34894    59.30302
   77    71 S   CA   _C22    61     1.39561   120.00292     0.02798
   78    77 S   CA   _C23    62     1.39498   119.94543     0.03426
   79    78 S   HA   _H23    63     1.08760   120.28709   179.98022
   80    77 S   OS   _O36    66     1.36042   120.00689   179.96044
   81    64 S   CA   _C24    64     1.39430   120.02525    91.65421
   82    81 S   HA   _H24    65     1.08689   120.85605    -0.08393
   83    80 S   CO4  _C25    67     1.40493   114.14726   -89.95558
   84    83 S   O    _O37    68     1.22329   125.75043    -0.14935
   85    83 S   CT   _C26    69     1.49985   110.02390  -179.96574
   86    85 S   HC   _H25    70     1.09315   109.83086   -90.15661
   87    85 S   HC   _H26    71     1.09396   109.28815   150.87954
   88    85 S   HC   _H27    72     1.09256   109.86003    31.75447
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  10   2   1   1   7   4   3   2   3   1   7   9   8   4   8   3
  12   9   4   1  12  14  20   9   3   2   1   5   2   1   1  11
   9   8   4   6   5   4   7   3   3   2   1   1   8   5   3   7
   1   1   5   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    41    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    45    51  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44  
   39    40    41    43  
   40    41    43  
   41    43  
   42    43    44  
   43  
   44    45    46    47    50    51    52  
   45    46    47    48    49    50    51    52    53  
   46    47    48    49    50    51    52    65  
   47    48    49    51  
   48    49    50    51    53    55    65    68  
   49    50    65  
   50    51    52    53    54    55    64    65    68    69    70    73  
   51    52    53    54    55    65    68    56    60  
   52    53    54    65  
   53  
   54    55    64    65    56    57    58    59    60    61    62    63  
   55    64    66    81    65    68    56    57    58    59    60    61    62    63  
   64    66    67    71    78    81    82    65    68    69    70    73    56    57    58    59    60    61    62    63  
   57    58    59    60    61    62    63    64    65  
   58    59    60  
   59    60  
   60  
   61    62    63    64    65  
   62    63  
   63  
    0  
   66    67    71    72    77    78    79    81    82    65    68  
   68    69    70    73    74    75    76    66    81  
   67    71    72    77    78    81    82    80  
   71    72    77    81  
   69    70    73    74    75    76  
   70    73    74    75    76  
   73    74    75    76  
   72    77    78    79    81    80    83  
   77    78    80  
   74    75    76  
   75    76  
   76  
    0  
   78    79    81    82    80    83    84    85  
   79    81    82    80    83  
   81    82    80  
   83    84    85    86    87    88    81  
   82  
    0  
   84    85    86    87    88  
   85    86    87    88  
   86    87    88  
   87    88  
   88  
    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  -0.175000   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   0.372200   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
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   222.000  1.810
   33    37   250.000  1.527
   33    41   380.000  1.407
   33    43   320.000  1.380
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   553.000  0.945
   43    44   450.000  1.364
   44    45   469.000  1.400
   44    51   469.000  1.400
   45    46   367.000  1.080
   45    47   469.000  1.400
   47    48   367.000  1.080
   47    49   469.000  1.400
   49    50   469.000  1.400
   49    65   320.000  1.460
   50    51   469.000  1.400
   50    53   450.000  1.364
   51    52   367.000  1.080
   53    54   320.000  1.410
   54    55   317.000  1.510
   54    56   268.000  1.529
   54    60   268.000  1.529
   55    64   320.000  1.460
   55    65   549.000  1.340
   64    66   469.000  1.400
   64    81   469.000  1.400
   66    67   367.000  1.080
   66    71   469.000  1.400
   71    72   367.000  1.080
   71    77   469.000  1.400
   77    78   469.000  1.400
   77    80   450.000  1.364
   78    79   367.000  1.080
   78    81   469.000  1.400
   81    82   367.000  1.080
   80    83   214.000  1.327
   83    84   570.000  1.229
   83    85   317.000  1.522
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   65    68   317.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   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    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    37    75.00000  111.63000
   29    33    41    85.00000  114.68000
   29    33    43    85.00000  114.68000
   33    37    38    45.00000  108.72000
   33    37    39    45.00000  108.72000
   33    37    40    45.00000  108.72000
   33    41    42    70.00000  107.92000
   33    43    44   100.00000  112.36700
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    90.00000  110.19100
   43    33    37    90.00000  108.56700
   43    33    41   110.00000  112.08000
   43    44    45    70.00000  120.00000
   43    44    51    70.00000  120.00000
   44    45    46    35.00000  120.00000
   44    45    47    63.00000  120.00000
   44    51    50    63.00000  120.00000
   44    51    52    35.00000  120.00000
   45    47    48    35.00000  120.00000
   45    47    49    63.00000  120.00000
   47    45    46    35.00000  120.00000
   47    49    50    63.00000  120.00000
   47    49    65    60.00000  120.93500
   49    47    48    35.00000  120.00000
   49    50    51    63.00000  120.00000
   49    50    53    70.00000  120.00000
   49    65    55    60.00000  123.20500
   49    65    68    65.00000  118.87000
   50    51    52    35.00000  120.00000
   50    53    54    75.00000  111.00000
   51    44    45    63.00000  120.00000
   53    50    51    70.00000  120.00000
   53    54    55    85.00000  110.90400
   53    54    56    50.00000  109.50000
   53    54    60    50.00000  109.50000
   54    55    64    60.00000  124.00000
   54    55    65    70.00000  124.00000
   54    56    57    37.50000  110.70000
   54    56    58    37.50000  110.70000
   54    56    59    37.50000  110.70000
   54    60    61    37.50000  110.70000
   54    60    62    37.50000  110.70000
   54    60    63    37.50000  110.70000
   55    64    66    60.00000  118.70000
   55    64    81    60.00000  118.70000
   55    65    68    70.00000  124.00000
   64    66    67    35.00000  120.00000
   64    66    71    63.00000  120.00000
   64    81    78    63.00000  120.00000
   64    81    82    35.00000  120.00000
   66    71    72    35.00000  120.00000
   66    71    77    63.00000  120.00000
   71    66    67    35.00000  120.00000
   71    77    78    63.00000  120.00000
   71    77    80    70.00000  120.00000
   77    71    72    35.00000  120.00000
   77    78    79    35.00000  120.00000
   77    78    81    63.00000  120.00000
   77    80    83    85.00000  115.98000
   78    81    82    35.00000  120.00000
   81    64    66    63.00000  120.00000
   81    78    79    35.00000  120.00000
   80    77    78    70.00000  120.00000
   80    83    84    83.00000  123.40000
   80    83    85    81.00000  111.40000
   83    85    86    35.00000  109.50000
   83    85    87    35.00000  109.50000
   83    85    88    35.00000  109.50000
   85    83    84    80.00000  120.40000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   65    49    50    60.00000  120.93500
   65    55    64    60.00000  123.66000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    73    70.00000  112.02700
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    76    37.50000  110.70000
   70    68    69    33.00000  107.80000
   73    68    69    37.50000  110.70000
   73    68    70    37.50000  110.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   56    54    55    70.00000  112.02700
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   60    54    55    70.00000  112.02700
   60    54    56    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  1.0 3.0
   24    29    33    43   0.13850  1.0 1.0
   24    29    33    43  -1.34450 -1.0 2.0
   24    29    33    43   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    40   0.15000  1.0 3.0
   29    33    41    42   0.35600  1.0 1.0
   29    33    41    42  -0.10750 -1.0 2.0
   29    33    41    42  -0.54400  1.0 3.0
   29    33    43    44   0.14700  1.0 1.0
   29    33    43    44  -1.16150 -1.0 2.0
   29    33    43    44   0.48700  1.0 3.0
   33    43    44    45   1.63200 -1.0 2.0
   33    43    44    51   1.63200 -1.0 2.0
   37    33    41    42  -0.11600  1.0 1.0
   37    33    41    42  -0.09450 -1.0 2.0
   37    33    41    42   0.21250  1.0 3.0
   37    33    43    44  -0.32850  1.0 1.0
   37    33    43    44  -0.35800 -1.0 2.0
   37    33    43    44   0.33950  1.0 3.0
   41    33    37    38   0.23400  1.0 3.0
   41    33    37    39   0.23400  1.0 3.0
   41    33    37    40   0.23400  1.0 3.0
   41    33    43    44  -0.25600  1.0 1.0
   41    33    43    44  -0.40050 -1.0 2.0
   41    33    43    44   0.34700  1.0 3.0
   43    33    37    38   0.23400  1.0 3.0
   43    33    37    39   0.23400  1.0 3.0
   43    33    37    40   0.23400  1.0 3.0
   43    33    41    42  -0.50000  1.0 1.0
   43    33    41    42  -0.73950 -1.0 2.0
   43    33    41    42   0.17150  1.0 3.0
   43    44    45    46   3.62500 -1.0 2.0
   43    44    45    47   3.62500 -1.0 2.0
   43    44    51    50   3.62500 -1.0 2.0
   43    44    51    52   3.62500 -1.0 2.0
   44    45    47    48   3.62500 -1.0 2.0
   44    45    47    49   3.62500 -1.0 2.0
   45    44    51    50   3.62500 -1.0 2.0
   45    44    51    52   3.62500 -1.0 2.0
   45    47   -49    50   3.62500 -1.0 2.0
   45    47    49    65   3.62500 -1.0 2.0
   46    45    47    48   3.62500 -1.0 2.0
   46    45    47    49   3.62500 -1.0 2.0
   47    49    50    51   3.62500 -1.0 2.0
   47    49    50    53   3.62500 -1.0 2.0
   47    49    65    55   0.15800  1.0 1.0
   47    49    65    55   1.85350 -1.0 2.0
   47    49    65    55  -0.48700  1.0 3.0
   47    49    65    68  -0.02500  1.0 1.0
   47    49    65    68  -0.32150 -1.0 2.0
   47    49    65    68  -0.01500  1.0 3.0
   48    47    49    50   3.62500 -1.0 2.0
   48    47    49    65   3.62500 -1.0 2.0
   49    50   -51    44   3.62500 -1.0 2.0
   49    50    51    52   3.62500 -1.0 2.0
   49    50    53    54   1.63200 -1.0 2.0
   49    65    68    69   0.77000  1.0 3.0
   49    65    68    70   0.77000  1.0 3.0
   49    65    68    73  -0.01700  1.0 1.0
   49    65    68    73   0.06550 -1.0 2.0
   49    65    68    73  -0.91500  1.0 3.0
   50    49    65    55   0.15800  1.0 1.0
   50    49    65    55   1.85350 -1.0 2.0
   50    49    65    55  -0.48700  1.0 3.0
   50    49    65    68  -0.02500  1.0 1.0
   50    49    65    68  -0.32150 -1.0 2.0
   50    49    65    68  -0.01500  1.0 3.0
   50    53   -54    55  -0.25600  1.0 1.0
   50    53   -54    55  -0.40050 -1.0 2.0
   50    53   -54    55   0.34700  1.0 3.0
   50    53    54    56  -0.32850  1.0 1.0
   50    53    54    56  -0.35800 -1.0 2.0
   50    53    54    56   0.33950  1.0 3.0
   50    53    54    60  -0.32850  1.0 1.0
   50    53    54    60  -0.35800 -1.0 2.0
   50    53    54    60   0.33950  1.0 3.0
   51    44    45    46   3.62500 -1.0 2.0
   51    44   -45    47   3.62500 -1.0 2.0
   51    50    53    54   1.63200 -1.0 2.0
   53    50    51    44   3.62500 -1.0 2.0
   53    50    51    52   3.62500 -1.0 2.0
   53    54    55    64   0.09700  1.0 1.0
   53    54    55    64   0.15600 -1.0 2.0
   53    54    55    64  -0.50800  1.0 3.0
   53    54    55    65   0.39000  1.0 1.0
   53    54    55    65  -0.05800 -1.0 2.0
   53    54    55    65  -0.55150  1.0 3.0
   53    54    56    57   0.23400  1.0 3.0
   53    54    56    58   0.23400  1.0 3.0
   53    54    56    59   0.23400  1.0 3.0
   53    54    60    61   0.23400  1.0 3.0
   53    54    60    62   0.23400  1.0 3.0
   53    54    60    63   0.23400  1.0 3.0
   54    55    64    66  -0.02500  1.0 1.0
   54    55    64    66  -0.32150 -1.0 2.0
   54    55    64    66  -0.01500  1.0 3.0
   54    55    64    81  -0.02500  1.0 1.0
   54    55    64    81  -0.32150 -1.0 2.0
   54    55    64    81  -0.01500  1.0 3.0
   54    55   -65    49   7.00000 -1.0 2.0
   54    55    65    68   7.00000 -1.0 2.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    58   0.15000  1.0 3.0
   55    54    56    59   0.15000  1.0 3.0
   55    54    60    61   0.15000  1.0 3.0
   55    54    60    62   0.15000  1.0 3.0
   55    54    60    63   0.15000  1.0 3.0
   55    64    66    67   3.62500 -1.0 2.0
   55    64    66    71   3.62500 -1.0 2.0
   55    64    81    78   3.62500 -1.0 2.0
   55    64    81    82   3.62500 -1.0 2.0
   55    65    68    69   0.00000  1.0 1.0
   55    65    68    70   0.00000  1.0 1.0
   55    65    68    73   0.09850  1.0 1.0
   55    65    68    73   0.15250 -1.0 2.0
   55    65    68    73  -0.50650  1.0 3.0
   64    55    65    49   7.00000 -1.0 2.0
   64    55    65    68   7.00000 -1.0 2.0
   64    66    71    72   3.62500 -1.0 2.0
   64    66    71    77   3.62500 -1.0 2.0
   66    64    81    78   3.62500 -1.0 2.0
   66    64    81    82   3.62500 -1.0 2.0
   66    71   -77    78   3.62500 -1.0 2.0
   66    71    77    80   3.62500 -1.0 2.0
   67    66    71    72   3.62500 -1.0 2.0
   67    66    71    77   3.62500 -1.0 2.0
   71    77    78    79   3.62500 -1.0 2.0
   71    77    78    81   3.62500 -1.0 2.0
   71    77    80    83   0.01300  1.0 1.0
   71    77    80    83   0.97950 -1.0 2.0
   71    77    80    83  -0.55700  1.0 3.0
   72    71    77    78   3.62500 -1.0 2.0
   72    71    77    80   3.62500 -1.0 2.0
   77    78   -81    64   3.62500 -1.0 2.0
   77    78    81    82   3.62500 -1.0 2.0
   77    80    83    84   3.00000 -1.0 2.0
   77    80    83    85   0.75600  1.0 1.0
   77    80    83    85   1.63000 -1.0 2.0
   78    77    80    83   0.01300  1.0 1.0
   78    77    80    83   0.97950 -1.0 2.0
   78    77    80    83  -0.55700  1.0 3.0
   79    78    81    64   3.62500 -1.0 2.0
   79    78    81    82   3.62500 -1.0 2.0
   81    64    66    67   3.62500 -1.0 2.0
   81    64   -66    71   3.62500 -1.0 2.0
   80    77    78    79   3.62500 -1.0 2.0
   80    77    78    81   3.62500 -1.0 2.0
   80    83    85    86   0.00000  1.0 1.0
   80    83    85    87   0.00000  1.0 1.0
   80    83    85    88   0.00000  1.0 1.0
   84    83    85    86   0.00000  1.0 1.0
   84    83    85    87   0.00000  1.0 1.0
   84    83    85    88   0.00000  1.0 1.0
   65    49    50    51   3.62500 -1.0 2.0
   65    49   -50    53   3.62500 -1.0 2.0
   65    55    64    66   0.15800  1.0 1.0
   65    55    64    66   1.85350 -1.0 2.0
   65    55    64    66  -0.48700  1.0 3.0
   65    55    64    81   0.15800  1.0 1.0
   65    55    64    81   1.85350 -1.0 2.0
   65    55    64    81  -0.48700  1.0 3.0
   65    68    73    74   0.15000  1.0 3.0
   65    68    73    75   0.15000  1.0 3.0
   65    68    73    76   0.15000  1.0 3.0
   69    68    73    74   0.15000  1.0 3.0
   69    68    73    75   0.15000  1.0 3.0
   69    68    73    76   0.15000  1.0 3.0
   70    68    73    74   0.15000  1.0 3.0
   70    68    73    75   0.15000  1.0 3.0
   70    68    73    76   0.15000  1.0 3.0
   56    54    55    64  -0.01700  1.0 1.0
   56    54    55    64   0.06550 -1.0 2.0
   56    54    55    64  -0.91500  1.0 3.0
   56    54    55    65   0.09850  1.0 1.0
   56    54    55    65   0.15250 -1.0 2.0
   56    54    55    65  -0.50650  1.0 3.0
   56    54    60    61   0.15000  1.0 3.0
   56    54    60    62   0.15000  1.0 3.0
   56    54    60    63   0.15000  1.0 3.0
   60    54    55    64  -0.01700  1.0 1.0
   60    54    55    64   0.06550 -1.0 2.0
   60    54    55    64  -0.91500  1.0 3.0
   60    54    55    65   0.09850  1.0 1.0
   60    54    55    65   0.15250 -1.0 2.0
   60    54    55    65  -0.50650  1.0 3.0
   60    54    56    57   0.15000  1.0 3.0
   60    54    56    58   0.15000  1.0 3.0
   60    54    56    59   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
   45    51    44    43   4.00000 -1.0 2.0
   47    46    45    44   1.10000 -1.0 2.0
   49    48    47    45   1.10000 -1.0 2.0
   50    65    49    47   4.00000 -1.0 2.0
   51    53    50    49   4.00000 -1.0 2.0
   50    52    51    44   1.10000 -1.0 2.0
   54    64    55    65   1.10000 -1.0 2.0
   66    81    64    55   4.00000 -1.0 2.0
   71    67    66    64   1.10000 -1.0 2.0
   77    72    71    66   1.10000 -1.0 2.0
   78    80    77    71   4.00000 -1.0 2.0
   81    79    78    77   1.10000 -1.0 2.0
   78    82    81    64   1.10000 -1.0 2.0
   80    85    83    84  10.50000 -1.0 2.0
   49    68    65    55   1.10000 -1.0 2.0
END
