* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    154    240     460
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02079   106.38159   -21.58379
    3     1 S   H    _H1_     3     1.02107    60.45060    80.99933
    4     1 S   H    _H2_     4     1.02088    51.74824  -122.78952
    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     1.08638   110.54412    58.84088
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   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   CT   _C12    36     1.82300    98.11646  -178.17909
   34    33 S   HC   _H5_    37     1.09470   104.77842   -41.92897
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C11    38     1.51333   110.63446  -160.00780
   39    33 S   OS   _O34    53     1.43341   113.46262    71.18352
   40    38 S   CM   _C10    39     1.35152   123.21994    93.33747
   41    40 S   OS   _O33    40     1.38296   123.70817  -176.43503
   42    40 S   OH   _O41    82     1.38130   120.21571     2.41589
   43    42 S   HO   _H25    83     0.96264   109.72056  -180.00000
   44    41 S   CT   _C9_    41     1.42940   114.62538    18.87650
   45    44 S   HC   _H17    42     1.09501   107.50499  -171.83331
   46    44 S   HC   _H18    43     1.09720   109.38633    71.87384
   47    44 S   CT   _C8_    44     1.51815   110.74680   -51.71186
   48    47 S   HC   _H15    45     1.09606   110.70353  -177.16317
   49    47 S   HC   _H16    46     1.09667   108.10034   -59.67557
   50    38 S   CT   _C7_    47     1.51417   115.70640   -87.04372
   51    50 S   HC   _H4_    48     1.09959   106.28443    71.81530
   52    50 S   CT   _C6_    49     1.54590   111.12561   -44.81429
   53    52 S   HC   _H3_    50     1.09870   107.49544   168.24292
   54    52 S   CO   _C13    51     1.53645   110.29874    50.33450
   55    54 S   HC   _H6_    52     1.09703   109.36073  -172.93375
   56    52 S   CM   _C5_    77     1.50398   113.86853   -73.35026
   57    56 S   HC   _H14    78     1.08683   117.18145    61.29994
   58    54 S   OS1  _O35    54     1.42610   109.37407    70.79147
   59    56 S   CM   _C4_    79     1.33732   124.03434  -118.71618
   60    59 S   HC   _H12    80     1.08471   120.44823  -179.94766
   61    59 S   HC   _H13    81     1.08417   121.57666    -0.01978
   62    58 S   CO1  _C14    55     1.41939   111.41305   148.07748
   63    62 S   HC   _H7_    56     1.09726   107.38155    60.00138
   64    62 S   CT   _C15    57     1.52834   107.83390   179.65170
   65    64 S   HC   _H8_    58     1.09697   110.70967    51.32231
   66    64 S   CT   _C16    59     1.52865   111.32140   173.97575
   67    66 S   HC   _H9_    60     1.09648   110.96961    74.78701
   68    64 S   OH5  _O40    75     1.42729   109.50228   -66.31750
   69    68 S   HO   _H24    76     0.96949   106.45897   -61.54312
   70    66 S   CT   _C17    61     1.52873   111.17932   -48.63568
   71    70 S   HC   _H10    62     1.09746   108.95188   -72.58591
   72    66 S   OH5  _O39    73     1.42916   109.15555  -168.28474
   73    72 S   HO   _H23    74     0.96902   106.32308    61.34834
   74    70 S   CT   _C18    63     1.53014   110.78669    49.61953
   75    74 S   HC   _H11    64     1.09795   110.54336    64.81574
   76    70 S   OH5  _O38    71     1.42637   108.04124   170.69004
   77    76 S   HO   _H22    72     0.97017   106.48702   -60.03484
   78    62 S   OS1  _O36    65     1.42581   109.82686   -59.86573
   79    74 S   CT   _C19    66     1.52616   112.23567  -175.08024
   80    79 S   HC   _H19    67     1.09045   109.97587    59.96682
   81    79 S   HC   _H20    68     1.09030   109.95488   -60.95492
   82    79 S   OH5  _O37    69     1.41603   108.56169   179.52812
   83    82 S   HO   _H21    70     0.97233   107.08415  -179.97202
  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
  13   5   2   1   1  15   9  10   9   3   1   8   5   4   8   4
   3   9   4  10   6   9   3   5   3   8   2   1   1  13   6  12
   7  13   7   4   1  12   7   3   1   9   6   3   1   4   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    50    54    39  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    47    50    51    52    54    55    39    58    42  
   38    40    50    54    39  
   36    37  
   37  
    0  
   40    41    44    47    48    49    50    51    52    53    54    39    56    42    43  
   58    62    56    40    50    52    53    54    55  
   41    44    45    46    47    50    51    52    42    43  
   44    45    46    47    48    49    50    42    43  
   43    44    50  
    0  
   45    46    47    48    49    50    51    52  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    52    53    54    56  
   49    50    51    52  
   50    51    52  
   51    52    53    54    55    58    56    57    59  
   52    53    54    56  
   53    54    55    58    62    56    57    59    60    61  
   54    55    58    56    57    59  
   55    58    62    63    64    78    56    57    59  
   58    62    56  
   57    59    60    61    58  
   59    60    61  
   62    63    64    65    66    74    78    68  
   60    61  
   61  
    0  
   63    64    65    66    67    70    74    75    78    79    72    68    69  
   64    65    66    74    78    68  
   65    66    67    70    71    74    78    76    72    73    68    69  
   66    67    70    78    72    68    69  
   67    70    71    74    75    78    79    76    77    72    73    68    69  
   70    71    74    76    72    73    68  
   69    70    72    78  
    0  
   71    74    75    78    79    80    81    82    76    77    72    73  
   74    75    78    79    76    77    72  
   73    74    76  
    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  
   81    82    83  
   82    83  
   83  
    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   0.387900   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   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   320.000  1.410
   38    40   549.000  1.340
   38    50   317.000  1.510
   40    41   440.000  1.360
   40    42   510.000  1.338
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   268.000  1.529
   52    53   340.000  1.090
   52    54   250.000  1.527
   52    56   317.000  1.510
   54    55   340.000  1.090
   54    39   320.000  1.380
   54    58   320.000  1.380
   58    62   370.000  1.399
   62    63   360.000  1.097
   62    64   255.000  1.525
   62    78   370.000  1.399
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    68   355.000  1.421
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    72   355.000  1.421
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    76   355.000  1.421
   74    75   340.000  1.090
   74    78   335.000  1.422
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   355.000  1.421
   82    83   580.000  0.967
   76    77   580.000  0.967
   72    73   580.000  0.967
   68    69   580.000  0.967
   56    57   340.000  1.080
   56    59   549.000  1.340
   59    60   340.000  1.080
   59    61   340.000  1.080
   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  112.20000
   29    33    39    85.00000  114.68000
   33    38    40    70.00000  124.00000
   33    38    50    65.00000  117.92700
   33    39    54    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    80.00000  120.01400
   38    40    42    80.00000  121.38400
   38    50    47    70.00000  112.02700
   38    50    51    35.00000  109.50000
   38    50    52    70.00000  112.02700
   40    41    44    90.00000  111.18400
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    46    35.00000  109.50000
   41    44    47    50.00000  109.50000
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    52    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    38    40    70.00000  124.00000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    52    53    37.50000  110.70000
   50    52    54    75.00000  109.43000
   50    52    56    70.00000  112.02700
   52    50    51    37.50000  110.70000
   52    54    55    45.00000  112.01100
   52    54    39    90.00000  108.56700
   52    54    58    90.00000  108.56700
   52    56    57    35.00000  117.00000
   52    56    59    70.00000  124.00000
   54    52    53    45.00000  108.72000
   54    58    62    90.00000  112.10700
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    54    55    35.00000  109.50000
   58    54    55    35.00000  109.50000
   58    54    39    92.60000  111.55000
   58    62    63    60.00000  105.75400
   58    62    64    90.00000  109.70700
   58    62    78   110.00000  113.16000
   62    64    65    45.00000  109.54000
   62    64    66    70.00000  111.10000
   62    64    68    90.00000  109.42000
   62    78    74    90.00000  112.10700
   64    62    63    45.00000  111.65000
   64    66    67    37.50000  110.70000
   64    66    70    58.35000  112.70000
   64    66    72    90.00000  111.45300
   64    68    69    65.00000  108.53500
   66    64    65    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    74    58.35000  112.70000
   66    70    76    90.00000  111.45300
   66    72    73    65.00000  108.53500
   70    66    67    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    78    95.00000  107.88500
   70    74    79    58.35000  112.70000
   70    76    77    65.00000  108.53500
   74    70    71    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    90.00000  111.45300
   78    62    63    60.00000  105.75400
   78    62    64    90.00000  109.70700
   78    74    75    55.00000  108.98800
   79    74    75    37.50000  110.70000
   79    74    78    95.00000  107.88500
   79    82    83    65.00000  108.53500
   81    79    80    33.00000  107.80000
   82    79    80    60.00000  109.39000
   82    79    81    60.00000  109.39000
   76    70    71    60.00000  109.39000
   76    70    74    90.00000  111.45300
   72    66    67    60.00000  109.39000
   72    66    70    90.00000  111.45300
   68    64    65    60.00000  109.39000
   68    64    66    90.00000  111.45300
   56    52    53    35.00000  109.50000
   56    52    54    70.00000  112.02700
   56    59    60    35.00000  120.00000
   56    59    61    35.00000  120.00000
   59    56    57    35.00000  120.00000
   61    59    60    35.00000  117.00000
   42    40    41   115.00000  116.36000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   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    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    38    50   0.30250  1.0 1.0
   29    33    38    50  -0.14950 -1.0 2.0
   29    33    38    50   0.36900  1.0 3.0
   29    33    39    54   0.14700  1.0 1.0
   29    33    39    54  -1.16150 -1.0 2.0
   29    33    39    54   0.48700  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    38    50    47   0.46850  1.0 1.0
   33    38    50    47   0.08550 -1.0 2.0
   33    38    50    47   0.09800  1.0 3.0
   33    38    50    51   0.34800  1.0 3.0
   33    38    50    52   0.46850  1.0 1.0
   33    38    50    52   0.08550 -1.0 2.0
   33    38    50    52   0.09800  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    50   0.34800  1.0 3.0
   34    33    39    54   0.37050  1.0 3.0
   38    33    39    54  -0.77900  1.0 1.0
   38    33    39    54  -0.36900 -1.0 2.0
   38    33    39    54   0.40400  1.0 3.0
   38    40    41    44  -2.26850  1.0 1.0
   38    40    41    44   3.39050 -1.0 2.0
   38    40    42    43  -0.66100  1.0 1.0
   38    40    42    43   1.20850 -1.0 2.0
   38    40    42    43  -0.36000  1.0 3.0
   38    50    52    53   0.15000  1.0 3.0
   38    50   -52    54   0.34400  1.0 1.0
   38    50   -52    54   0.09450 -1.0 2.0
   38    50   -52    54   0.11100  1.0 3.0
   38    50    52    56   0.31000  1.0 1.0
   38    50    52    56   0.14700 -1.0 2.0
   38    50    52    56   0.07550  1.0 3.0
   40    38    50    47   0.09850  1.0 1.0
   40    38    50    47   0.15250 -1.0 2.0
   40    38    50    47  -0.50650  1.0 3.0
   40    38    50    51   0.00000  1.0 1.0
   40    38    50    52   0.09850  1.0 1.0
   40    38    50    52   0.15250 -1.0 2.0
   40    38    50    52  -0.50650  1.0 3.0
   40    41    44    45   0.08050  1.0 3.0
   40    41    44    46   0.08050  1.0 3.0
   40    41   -44    47  -0.46850  1.0 1.0
   40    41   -44    47   0.09300 -1.0 2.0
   40    41   -44    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   41    44    47    48   0.23400  1.0 3.0
   41    44    47    49   0.23400  1.0 3.0
   41    44    47    50   0.62750  1.0 1.0
   41    44    47    50  -0.30950 -1.0 2.0
   41    44    47    50   0.27300  1.0 3.0
   44    47   -50    38   0.34400  1.0 1.0
   44    47   -50    38   0.09450 -1.0 2.0
   44    47   -50    38   0.11100  1.0 3.0
   44    47    50    51   0.15000  1.0 3.0
   44    47    50    52   0.56750  1.0 1.0
   44    47    50    52  -0.07550 -1.0 2.0
   44    47    50    52   0.20000  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    50   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49   0.15000  1.0 3.0
   46    44    47    50   0.15000  1.0 3.0
   47    50    52    53   0.15000  1.0 3.0
   47    50    52    54   3.97050  1.0 1.0
   47    50    52    56   0.34400  1.0 1.0
   47    50    52    56   0.09450 -1.0 2.0
   47    50    52    56   0.11100  1.0 3.0
   48    47    50    38   0.15000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   49    47    50    38   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52   0.15000  1.0 3.0
   50    38   -40    41   7.00000 -1.0 2.0
   50    38    40    42   7.00000 -1.0 2.0
   50    52    54    55   0.15000  1.0 3.0
   50    52    54    39   0.62750  1.0 1.0
   50    52    54    39  -0.30950 -1.0 2.0
   50    52    54    39   0.27300  1.0 3.0
   50    52    54    58   0.62750  1.0 1.0
   50    52    54    58  -0.30950 -1.0 2.0
   50    52    54    58   0.27300  1.0 3.0
   50    52    56    57   0.00000  1.0 1.0
   50    52    56    59   0.09850  1.0 1.0
   50    52    56    59   0.15250 -1.0 2.0
   50    52    56    59  -0.50650  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    56   0.15000  1.0 3.0
   52    54   -39    33   0.06250  1.0 1.0
   52    54   -39    33  -0.01100 -1.0 2.0
   52    54   -39    33   0.28050  1.0 3.0
   52    54    58    62   0.06250  1.0 1.0
   52    54    58    62  -0.01100 -1.0 2.0
   52    54    58    62   0.28050  1.0 3.0
   52    56    59    60   7.00000 -1.0 2.0
   52    56    59    61   7.00000 -1.0 2.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    39   0.23400  1.0 3.0
   53    52    54    58   0.23400  1.0 3.0
   53    52    56    57   0.33100  1.0 3.0
   53    52    56    59   0.00000  1.0 1.0
   54    52    56    57   0.00000  1.0 1.0
   54    52    56    59   0.09850  1.0 1.0
   54    52    56    59   0.15250 -1.0 2.0
   54    52    56    59  -0.50650  1.0 3.0
   54    58    62    63   0.37050  1.0 3.0
   54    58    62    64   0.06250  1.0 1.0
   54    58    62    64  -0.01100 -1.0 2.0
   54    58    62    64   0.28050  1.0 3.0
   54    58    62    78  -0.12700  1.0 1.0
   54    58    62    78  -1.16200 -1.0 2.0
   54    58    62    78   0.58800  1.0 3.0
   55    54    39    33   0.37050  1.0 3.0
   55    54    58    62   0.37050  1.0 3.0
   39    33    38    40   0.39000  1.0 1.0
   39    33    38    40  -0.05800 -1.0 2.0
   39    33    38    40  -0.55150  1.0 3.0
   39    33   -38    50   0.09700  1.0 1.0
   39    33   -38    50   0.15600 -1.0 2.0
   39    33   -38    50  -0.50800  1.0 3.0
   39    54    58    62  -0.53350  1.0 1.0
   39    54    58    62  -0.78350 -1.0 2.0
   39    54    58    62   0.33750  1.0 3.0
   58    54    39    33  -0.81800  1.0 1.0
   58    62    64    65   0.23400  1.0 3.0
   58    62    64    66   0.62750  1.0 1.0
   58    62    64    66  -0.30950 -1.0 2.0
   58    62    64    66   0.27300  1.0 3.0
   58    62    64    68   1.51850  1.0 1.0
   58    62    78    74  -0.70400  1.0 1.0
   58    62    78    74  -0.90350 -1.0 2.0
   62    64    66    67   0.15000  1.0 3.0
   62    64    66    70   0.56750  1.0 1.0
   62    64    66    70  -0.07550 -1.0 2.0
   62    64    66    70   0.20000  1.0 3.0
   62    64    66    72  -0.47750  1.0 1.0
   62    64    68    69   0.29150  1.0 1.0
   62    64    68    69  -0.28350 -1.0 2.0
   62    64    68    69   0.43600  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    64    68   0.23400  1.0 3.0
   63    62    78    74   0.37050  1.0 3.0
   64    62    78    74   0.06250  1.0 1.0
   64    62    78    74  -0.01100 -1.0 2.0
   64    62    78    74   0.28050  1.0 3.0
   64    66    70    71   0.15000  1.0 3.0
   64    66   -70    74   0.56750  1.0 1.0
   64    66   -70    74  -0.07550 -1.0 2.0
   64    66   -70    74   0.20000  1.0 3.0
   64    66    70    76  -0.47750  1.0 1.0
   64    66    72    73   0.29150  1.0 1.0
   64    66    72    73  -0.28350 -1.0 2.0
   64    66    72    73   0.43600  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    70   0.15000  1.0 3.0
   65    64    66    72   0.23400  1.0 3.0
   65    64    68    69   0.19450  1.0 3.0
   66    64    68    69   0.29150  1.0 1.0
   66    64    68    69  -0.28350 -1.0 2.0
   66    64    68    69   0.43600  1.0 3.0
   66    70    74    75   0.15000  1.0 3.0
   66    70    74    78   0.62750  1.0 1.0
   66    70    74    78  -0.30950 -1.0 2.0
   66    70    74    78   0.27300  1.0 3.0
   66    70    74    79   0.56750  1.0 1.0
   66    70    74    79  -0.07550 -1.0 2.0
   66    70    74    79   0.20000  1.0 3.0
   66    70    76    77   0.29150  1.0 1.0
   66    70    76    77  -0.28350 -1.0 2.0
   66    70    76    77   0.43600  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    74   0.15000  1.0 3.0
   67    66    70    76   0.23400  1.0 3.0
   67    66    72    73   0.19450  1.0 3.0
   70    66    72    73   0.29150  1.0 1.0
   70    66    72    73  -0.28350 -1.0 2.0
   70    66    72    73   0.43600  1.0 3.0
   70    74   -78    62   0.06250  1.0 1.0
   70    74   -78    62  -0.01100 -1.0 2.0
   70    74   -78    62   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  -0.47750  1.0 1.0
   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   0.29150  1.0 1.0
   74    70    76    77  -0.28350 -1.0 2.0
   74    70    76    77   0.43600  1.0 3.0
   74    79    82    83   0.29150  1.0 1.0
   74    79    82    83  -0.28350 -1.0 2.0
   74    79    82    83   0.43600  1.0 3.0
   75    74    78    62   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    62    64    65   0.23400  1.0 3.0
   78    62   -64    66   0.62750  1.0 1.0
   78    62   -64    66  -0.30950 -1.0 2.0
   78    62   -64    66   0.27300  1.0 3.0
   78    62    64    68   1.51850  1.0 1.0
   78    74    79    80   0.23400  1.0 3.0
   78    74    79    81   0.23400  1.0 3.0
   78    74    79    82   1.51850  1.0 1.0
   79    74    78    62   0.06250  1.0 1.0
   79    74    78    62  -0.01100 -1.0 2.0
   79    74    78    62   0.28050  1.0 3.0
   80    79    82    83   0.19450  1.0 3.0
   81    79    82    83   0.19450  1.0 3.0
   76    70    74    75   0.23400  1.0 3.0
   76    70    74    78   1.51850  1.0 1.0
   76    70    74    79  -0.47750  1.0 1.0
   72    66    70    71   0.23400  1.0 3.0
   72    66    70    74  -0.47750  1.0 1.0
   72    66    70    76   3.77950  1.0 1.0
   68    64    66    67   0.23400  1.0 3.0
   68    64    66    70  -0.47750  1.0 1.0
   68    64    66    72   3.77950  1.0 1.0
   56    52    54    55   0.15000  1.0 3.0
   56    52    54    39   0.61850  1.0 1.0
   56    52    54    39  -0.22750 -1.0 2.0
   56    52    54    39   0.15300  1.0 3.0
   56    52    54    58   0.61850  1.0 1.0
   56    52    54    58  -0.22750 -1.0 2.0
   56    52    54    58   0.15300  1.0 3.0
   57    56    59    60   7.00000 -1.0 2.0
   57    56    59    61   7.00000 -1.0 2.0
   42    40    41    44   2.00000 -1.0 2.0
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
   33    50    38    40   1.10000 -1.0 2.0
   41    42    40    38   1.10000 -1.0 2.0
   52    57    56    59  15.00000 -1.0 2.0
   60    61    59    56  15.00000 -1.0 2.0
END
