* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    153    249     457
    1     0 S   NP   _N1_     1    28.21975    97.35577   -24.50850
    2     1 S   H    _HN1     2     1.02773   110.57670  -111.37299
    3     1 S   H    _H1_     3     1.02951    74.91781    -7.08917
    4     1 S   H    _H2_     4     1.02831    33.43552   157.06944
    5     1 S   CT   _CA1     5     1.50149   131.97690    96.96790
    6     5 S   HC   _HA1     6     1.09579   105.19746    90.06943
    7     5 S   CO3  _C1_     7     1.53787   112.11593   -30.03592
    8     7 S   O2Z  _O11     8     1.26369   115.00172   -48.62347
    9     7 S   O2Z  _O12     9     1.26219   114.90979   130.11955
   10     5 S   CT   _CB1    10     1.53070   107.36212  -152.15884
   11    10 S   HC   HB11    11     1.09832   109.33471   -50.47016
   12    10 S   HC   HB12    12     1.09811   110.48620    66.08209
   13    10 S   CT   _CG1    13     1.53003   112.63722  -171.48018
   14    13 S   HC   HG11    14     1.09605   110.54141   -64.47800
   15    13 S   HC   HG12    15     1.09659   109.91301    54.71887
   16    13 S   C    _CD1    16     1.51853   112.16674   175.08359
   17    16 S   O    _OE1    17     1.22771   123.32094     2.54299
   18    16 S   N    _N2_    18     1.38411   111.75592  -177.50699
   19    18 S   H    _HN2    19     1.01775   119.24038     1.69766
   20    18 S   CT1  _CA2    20     1.45848   123.06182   179.48566
   21    20 S   HC   _HA2    21     1.09732   108.67718    29.66849
   22    20 S   C    _C2_    22     1.52937   107.30123   -87.62307
   23    22 S   O    _O2_    23     1.22982   123.13930   -27.22730
   24    20 S   CT   _CB2    32     1.53274   111.91396   152.70612
   25    24 S   HC   HB21    33     1.09362   109.38769    57.60101
   26    24 S   HC   HB22    34     1.09554   110.20330   175.76219
   27    22 S   N    _N3_    24     1.38543   112.54213   155.35950
   28    27 S   H    _HN3    25     1.01650   120.33112    -1.85551
   29    24 S   S    _SG2    35     1.83359   110.50043   -65.01299
   30    27 S   CT   _CA3    26     1.45338   122.41235   178.63470
   31    30 S   HC   HA31    27     1.09571   107.66120   -58.27853
   32    30 S   HC   HA32    28     1.09565   107.72825    58.01020
   33    29 S   CT   _C23    36     1.86951   103.43690   156.53451
   34    33 S   OM   _O39    37     1.32135   111.38989    32.31364
   35    30 S   CO3  _C3_    29     1.52873   114.42068   179.81443
   36    35 S   O2Z  _O31    30     1.26324   116.12600    -2.87010
   37    35 S   O2Z  _O32    31     1.26454   114.39119   177.18826
   38    33 S   CT   _C6_    38     1.56362   111.46994   -89.56218
   39    38 S   HC   _H3_    39     1.10245   108.99454   178.45465
   40    33 S   CT   _C22    69     1.58500   108.70434   150.05075
   41    40 S   HC   _H5_    70     1.10139   108.79856  -172.36270
   42    38 S   CO4  _C7_    40     1.53154   110.69147   -68.11029
   43    42 S   O    _O34    41     1.23148   122.70214   128.88410
   44    40 S   OS   _O40    71     1.44335   111.17083   -52.16168
   45    38 S   CO4  _C5_    78     1.54012   115.70742    60.91685
   46    45 S   O    _O33    79     1.23203   122.86890   -82.35972
   47    42 S   CT   _C8_    42     1.52665   116.14394   -55.26708
   48    44 S   CT   _C24    72     1.42150   113.46538  -110.37907
   49    48 S   HC   _H17    73     1.09328   108.18479   179.97202
   50    48 S   HC   _H18    74     1.09308   111.16473    61.00231
   51    48 S   HC   _H19    75     1.09397   110.50213   -61.48588
   52    45 S   CT   _C4_    80     1.50936   116.94373    98.34577
   53    52 S   HC   _H6_    81     1.09285   109.57755    58.52123
   54    52 S   HC   _H7_    82     1.09135   110.37416   -63.10937
   55    52 S   HC   _H8_    83     1.09388   109.49562   177.44105
   56    47 S   CO4  _C21    43     1.52490   112.60116   -71.66248
   57    56 S   O    _O35    44     1.22965   120.93100   -28.64300
   58    47 S   OH   _O41    76     1.42658   108.09679   173.07714
   59    58 S   HO   _H20    77     0.97402   107.68347    51.88420
   60    56 S   CA   _C20    45     1.49527   119.09649   153.58209
   61    60 S   CA   _C11    46     1.39861   118.91984    -2.08290
   62    60 S   CA   _C19    57     1.41153   121.71003   178.34708
   63    61 S   CA   _C12    47     1.40166   119.21162   179.07613
   64    63 S   HA   _H11    48     1.09030   118.58461  -178.90353
   65    62 S   OH   _O36    58     1.37530   120.80636     0.09065
   66    65 S   HO   _H14    59     0.97255   109.72380    -0.08623
   67    61 S   CT   _C10    64     1.50549   122.37922     1.39002
   68    67 S   HC   _H9_    65     1.09799   107.61758    93.66744
   69    67 S   HC   _H10    66     1.09615   110.31695  -150.93765
   70    63 S   CA   _C13    49     1.40211   121.97392     1.33075
   71    47 S   CT   _C9_    67     1.52706   109.44762    54.70969
   72    71 S   HC   _H4_    68     1.09917   109.06967    66.60896
   73    70 S   CA   _C14    50     1.40559   119.36590   179.47549
   74    73 S   HA   _H12    51     1.08841   120.00231     0.03956
   75    73 S   CA   _C15    52     1.39083   120.60029  -179.90935
   76    75 S   CA   _C16    53     1.38479   120.54495    -0.00000
   77    76 S   HA   _H13    54     1.08631   119.82728   180.00000
   78    75 S   OH   _O38    62     1.36581   121.18989   179.97202
   79    78 S   HO   _H16    63     0.97240   108.72800     0.09691
   80    76 S   CA   _C17    55     1.39793   119.24775    -0.04423
   81    70 S   CA   _C18    56     1.41627   120.06709    -0.52675
   82    80 S   OH   _O37    60     1.37315   117.86561  -179.97202
   83    82 S   HO   _H15    61     0.97183   109.26799     0.07913
  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  10   5   4   3
  16   8   2   1   1  16   7  17   6  13   5   8   6   4  12   4
   2   1   1   3   2   1   1  12   5   5   1  13  12  10  11   4
   4   1   5   3   2   8   1   1   8   4   7   7   4   2   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    71    40    41    44    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    47    67    71    72    40    41    44    48    45    46    52  
   38    39    42    71    40    41    44    45  
   36    37  
   37  
    0  
   39    42    43    47    56    71    40    41    44    58    45    46    52    53    54    55  
   42    43    47    40    45    46    52  
   41    44    48    49    50    51    58    45    42    47    56    61    67    68    69    71    72  
   44    48    47    67    71    72  
   43    47    56    57    60    67    71    72    58    59    45    46    52  
   47    56    71    58    45  
   48    49    50    51    47    67    71    72  
   46    52    53    54    55    47  
   52    53    54    55  
   56    57    60    61    62    67    68    69    71    72    58    59  
   49    50    51    71  
   50    51  
   51  
    0  
   53    54    55  
   54    55  
   55  
    0  
   57    60    61    63    81    62    65    67    71    72    58    59  
   60    61    62    71    58  
   59    60    67    71    72  
   71  
   61    63    64    70    80    81    62    65    66    67    68    69    71  
   63    64    70    73    81    62    65    67    68    69    71    72  
   65    66    82    67    63    70    73    76    80    81  
   64    70    73    74    75    80    81    67    68    69    71  
   70    73    81    67  
   66    70    80    81  
   81  
   68    69    71    72    70  
   69    71    72  
   71    72  
   73    74    75    76    80    81    82    78  
   72  
    0  
   74    75    76    77    80    81    78    79  
   75    76    81    78  
   76    77    80    81    82    78    79  
   77    80    81    82    83    78    79  
   80    81    82    78  
   79    80  
    0  
   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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   81   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.435000   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   570.000  1.307
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    45   317.000  1.522
   42    43   570.000  1.229
   42    47   317.000  1.522
   47    56   317.000  1.522
   47    71   268.000  1.529
   47    58   320.000  1.410
   56    57   570.000  1.229
   56    60   310.000  1.470
   60    61   469.000  1.400
   60    62   469.000  1.400
   61    63   469.000  1.400
   61    67   317.000  1.510
   63    64   367.000  1.080
   63    70   469.000  1.400
   70    73   469.000  1.400
   70    81   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   469.000  1.400
   75    78   450.000  1.364
   76    77   367.000  1.080
   76    80   469.000  1.400
   80    81   469.000  1.400
   80    82   450.000  1.364
   81    62   469.000  1.400
   62    65   450.000  1.364
   65    66   553.000  0.945
   82    83   553.000  0.945
   78    79   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    71   268.000  1.529
   71    72   340.000  1.090
   71    40   268.000  1.529
   40    41   340.000  1.090
   40    44   320.000  1.410
   44    48   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   58    59   553.000  0.945
   45    46   570.000  1.229
   45    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    38    45    63.00000  111.10000
   33    40    71    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    50.00000  109.50000
   38    33    34    50.00000  109.50000
   38    42    43    80.00000  120.40000
   38    42    47    70.00000  116.00000
   38    45    46    80.00000  120.40000
   38    45    52    70.00000  116.00000
   42    38    39    35.00000  109.50000
   42    47    56    75.00000  107.99600
   42    47    71    63.00000  111.10000
   42    47    58    90.00000  109.61100
   47    42    43    80.00000  120.40000
   47    56    57    80.00000  120.40000
   47    56    60    65.00000  115.47100
   47    71    67    58.35000  112.70000
   47    71    72    37.50000  110.70000
   47    71    40    58.35000  112.70000
   47    58    59    55.00000  108.50000
   56    60    61    60.00000  119.52600
   56    60    62    60.00000  119.52600
   60    56    57    75.00000  123.78400
   60    61    63    63.00000  120.00000
   60    61    67    70.00000  120.00000
   60    62    81    63.00000  120.00000
   60    62    65    70.00000  120.00000
   61    63    64    35.00000  120.00000
   61    63    70    63.00000  120.00000
   61    67    68    35.00000  109.50000
   61    67    69    35.00000  109.50000
   61    67    71    70.00000  112.17500
   63    70    73    63.00000  120.00000
   63    70    81    63.00000  120.00000
   70    63    64    35.00000  120.00000
   70    73    74    35.00000  120.00000
   70    73    75    63.00000  120.00000
   70    81    80    63.00000  120.00000
   70    81    62    63.00000  120.00000
   73    75    76    63.00000  120.00000
   73    75    78    70.00000  120.00000
   75    73    74    35.00000  120.00000
   75    76    77    35.00000  120.00000
   75    76    80    63.00000  120.00000
   75    78    79    35.00000  113.00000
   76    80    81    63.00000  120.00000
   76    80    82    70.00000  120.00000
   80    76    77    35.00000  120.00000
   80    81    62    63.00000  120.00000
   80    82    83    35.00000  113.00000
   81    70    73    63.00000  120.00000
   81    62    65    70.00000  120.00000
   62    60    61    63.00000  120.00000
   62    65    66    35.00000  113.00000
   82    80    81    70.00000  120.00000
   78    75    76    70.00000  120.00000
   67    61    63    70.00000  120.00000
   67    71    72    37.50000  110.70000
   67    71    40    58.35000  112.70000
   69    67    68    33.00000  107.80000
   71    47    56    63.00000  111.10000
   71    67    68    37.50000  110.70000
   71    67    69    37.50000  110.70000
   71    40    41    37.50000  110.70000
   71    40    44    50.00000  109.50000
   40    33    34    50.00000  109.50000
   40    33    38    58.35000  112.70000
   40    71    72    37.50000  110.70000
   40    44    48    60.00000  109.50000
   44    40    41    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    51    35.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   58    47    56    90.00000  109.61100
   58    47    71    50.00000  109.50000
   45    38    39    35.00000  109.50000
   45    38    42    75.00000  107.99600
   45    52    53    35.00000  109.50000
   45    52    54    35.00000  109.50000
   45    52    55    35.00000  109.50000
   52    45    46    80.00000  120.40000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  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    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   29    33    40    71   0.44750  1.0 1.0
   29    33    40    71  -0.17800 -1.0 2.0
   29    33    40    71   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    47   0.60050  1.0 1.0
   33    38    42    47   0.05600 -1.0 2.0
   33    38    42    47   0.26150  1.0 3.0
   33    38    45    46   0.30150 -1.0 2.0
   33    38    45    52   0.60050  1.0 1.0
   33    38    45    52   0.05600 -1.0 2.0
   33    38    45    52   0.26150  1.0 3.0
   33    40    44    48   0.06250  1.0 1.0
   33    40    44    48  -0.01100 -1.0 2.0
   33    40    44    48   0.28050  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    42  -0.09450  1.0 1.0
   34    33    38    42  -1.12950 -1.0 2.0
   34    33    38    42   0.54000  1.0 3.0
   34    33    38    45  -0.09450  1.0 1.0
   34    33    38    45  -1.12950 -1.0 2.0
   34    33    38    45   0.54000  1.0 3.0
   34    33    40    71   0.62750  1.0 1.0
   34    33    40    71  -0.30950 -1.0 2.0
   34    33    40    71   0.27300  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   1.11900  1.0 1.0
   34    33    40    44  -1.16350 -1.0 2.0
   34    33    40    44  -0.34150  1.0 3.0
   38    33    40    71   0.56750  1.0 1.0
   38    33    40    71  -0.07550 -1.0 2.0
   38    33    40    71   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.62750  1.0 1.0
   38    33    40    44  -0.30950 -1.0 2.0
   38    33    40    44   0.27300  1.0 3.0
   38    42    47    56   0.65300  1.0 1.0
   38    42    47    56  -0.03850 -1.0 2.0
   38    42    47    56   0.33900  1.0 3.0
   38    42   -47    71   0.60050  1.0 1.0
   38    42   -47    71   0.05600 -1.0 2.0
   38    42   -47    71   0.26150  1.0 3.0
   38    42    47    58   0.55300  1.0 1.0
   38    42    47    58   1.25850 -1.0 2.0
   38    42    47    58  -0.23600  1.0 3.0
   38    45    52    53   0.00000  1.0 1.0
   38    45    52    54   0.00000  1.0 1.0
   38    45    52    55   0.00000  1.0 1.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    47   0.00000  1.0 1.0
   39    38    45    46   0.00000  1.0 1.0
   39    38    45    52   0.00000  1.0 1.0
   42    38    45    46   0.30150 -1.0 2.0
   42    38    45    52   0.65300  1.0 1.0
   42    38    45    52  -0.03850 -1.0 2.0
   42    38    45    52   0.33900  1.0 3.0
   42    47    56    57   0.30150 -1.0 2.0
   42    47    56    60   0.65300  1.0 1.0
   42    47    56    60  -0.03850 -1.0 2.0
   42    47    56    60   0.33900  1.0 3.0
   42    47    71    67  -0.95700  1.0 1.0
   42    47    71    67  -0.18200 -1.0 2.0
   42    47    71    67   0.29450  1.0 3.0
   42    47    71    72  -0.11250  1.0 3.0
   42    47    71    40  -0.95700  1.0 1.0
   42    47    71    40  -0.18200 -1.0 2.0
   42    47    71    40   0.29450  1.0 3.0
   42    47    58    59   0.91850  1.0 1.0
   42    47    58    59   0.57950  1.0 3.0
   43    42    47    56   0.30150 -1.0 2.0
   43    42    47    71   0.30150 -1.0 2.0
   43    42    47    58   0.30150 -1.0 2.0
   47    56    60    61   2.26350  1.0 1.0
   47    56    60    61   0.76750 -1.0 2.0
   47    56    60    61   0.22500  1.0 3.0
   47    56    60    62   2.26350  1.0 1.0
   47    56    60    62   0.76750 -1.0 2.0
   47    56    60    62   0.22500  1.0 3.0
   47    71   -40    33   0.56750  1.0 1.0
   47    71   -40    33  -0.07550 -1.0 2.0
   47    71   -40    33   0.20000  1.0 3.0
   47    71    40    41   0.15000  1.0 3.0
   47    71    40    44   0.62750  1.0 1.0
   47    71    40    44  -0.30950 -1.0 2.0
   47    71    40    44   0.27300  1.0 3.0
   56    47    71    67  -0.95700  1.0 1.0
   56    47    71    67  -0.18200 -1.0 2.0
   56    47    71    67   0.29450  1.0 3.0
   56    47    71    72  -0.11250  1.0 3.0
   56    47    71    40  -0.95700  1.0 1.0
   56    47    71    40  -0.18200 -1.0 2.0
   56    47    71    40   0.29450  1.0 3.0
   56    47    58    59   0.91850  1.0 1.0
   56    47    58    59   0.57950  1.0 3.0
   56    60    61    63   3.62500 -1.0 2.0
   56    60   -61    67   3.62500 -1.0 2.0
   56    60    62    81   3.62500 -1.0 2.0
   56    60    62    65   3.62500 -1.0 2.0
   57    56    60    61   1.05000 -1.0 2.0
   57    56    60    62   1.05000 -1.0 2.0
   60    61    63    64   3.62500 -1.0 2.0
   60    61    63    70   3.62500 -1.0 2.0
   60    61    67    68   0.00000  1.0 1.0
   60    61    67    69   0.00000  1.0 1.0
   60    61    67    71   0.04150 -1.0 2.0
   60    62    65    66   0.84100 -1.0 2.0
   61    60    62    81   3.62500 -1.0 2.0
   61    60    62    65   3.62500 -1.0 2.0
   61    63    70    73   3.62500 -1.0 2.0
   61    63   -70    81   3.62500 -1.0 2.0
   61    67   -71    47  -0.03700  1.0 1.0
   61    67   -71    47   0.37200 -1.0 2.0
   61    67   -71    47  -0.47300  1.0 3.0
   61    67    71    72   0.43200  1.0 3.0
   61    67    71    40  -0.03700  1.0 1.0
   61    67    71    40   0.37200 -1.0 2.0
   61    67    71    40  -0.47300  1.0 3.0
   63    61    67    68   0.00000  1.0 1.0
   63    61    67    69   0.00000  1.0 1.0
   63    61    67    71   0.04150 -1.0 2.0
   63    70    73    74   3.62500 -1.0 2.0
   63    70    73    75   3.62500 -1.0 2.0
   63    70    81    80   3.62500 -1.0 2.0
   63    70    81    62   3.62500 -1.0 2.0
   64    63    70    73   3.62500 -1.0 2.0
   64    63    70    81   3.62500 -1.0 2.0
   70    73    75    76   3.62500 -1.0 2.0
   70    73    75    78   3.62500 -1.0 2.0
   70    81   -62    60   3.62500 -1.0 2.0
   70    81    62    65   3.62500 -1.0 2.0
   73    70    81    80   3.62500 -1.0 2.0
   73    70    81    62   3.62500 -1.0 2.0
   73    75    76    77   3.62500 -1.0 2.0
   73    75   -76    80   3.62500 -1.0 2.0
   73    75    78    79   0.84100 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    78   3.62500 -1.0 2.0
   75    76    80    81   3.62500 -1.0 2.0
   75    76    80    82   3.62500 -1.0 2.0
   76    75    78    79   0.84100 -1.0 2.0
   76    80   -81    70   3.62500 -1.0 2.0
   76    80    81    62   3.62500 -1.0 2.0
   76    80    82    83   0.84100 -1.0 2.0
   77    76    80    81   3.62500 -1.0 2.0
   77    76    80    82   3.62500 -1.0 2.0
   80    81    62    60   3.62500 -1.0 2.0
   80    81    62    65   3.62500 -1.0 2.0
   81    70    73    74   3.62500 -1.0 2.0
   81    70   -73    75   3.62500 -1.0 2.0
   81    80    82    83   0.84100 -1.0 2.0
   81    62    65    66   0.84100 -1.0 2.0
   62    60   -61    63   3.62500 -1.0 2.0
   62    60    61    67   3.62500 -1.0 2.0
   82    80    81    70   3.62500 -1.0 2.0
   82    80    81    62   3.62500 -1.0 2.0
   78    75    76    77   3.62500 -1.0 2.0
   78    75    76    80   3.62500 -1.0 2.0
   67    61    63    64   3.62500 -1.0 2.0
   67    61    63    70   3.62500 -1.0 2.0
   67    71    40    33   0.56750  1.0 1.0
   67    71    40    33  -0.07550 -1.0 2.0
   67    71    40    33   0.20000  1.0 3.0
   67    71    40    41   0.15000  1.0 3.0
   67    71    40    44   0.62750  1.0 1.0
   67    71    40    44  -0.30950 -1.0 2.0
   67    71    40    44   0.27300  1.0 3.0
   68    67    71    47   0.15000  1.0 3.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    40   0.15000  1.0 3.0
   69    67    71    47   0.15000  1.0 3.0
   69    67    71    72   0.15000  1.0 3.0
   69    67    71    40   0.15000  1.0 3.0
   71    47    56    57   0.30150 -1.0 2.0
   71    47   -56    60   0.05850 -1.0 2.0
   71    47   -56    60   0.17250  1.0 3.0
   71    47    58    59  -0.11600  1.0 1.0
   71    47    58    59  -0.09450 -1.0 2.0
   71    47    58    59   0.21250  1.0 3.0
   71    40    44    48   0.06250  1.0 1.0
   71    40    44    48  -0.01100 -1.0 2.0
   71    40    44    48   0.28050  1.0 3.0
   72    71    40    33   0.15000  1.0 3.0
   72    71    40    41   0.15000  1.0 3.0
   72    71    40    44   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42  -0.95700  1.0 1.0
   40    33   -38    42  -0.18200 -1.0 2.0
   40    33   -38    42   0.29450  1.0 3.0
   40    33    38    45  -0.95700  1.0 1.0
   40    33    38    45  -0.18200 -1.0 2.0
   40    33    38    45   0.29450  1.0 3.0
   40    44    48    49   0.37050  1.0 3.0
   40    44    48    50   0.37050  1.0 3.0
   40    44    48    51   0.37050  1.0 3.0
   41    40    44    48   0.37050  1.0 3.0
   58    47    56    57   0.30150 -1.0 2.0
   58    47    56    60   0.65300  1.0 1.0
   58    47    56    60  -0.03850 -1.0 2.0
   58    47    56    60   0.33900  1.0 3.0
   58    47    71    67   0.86500  1.0 1.0
   58    47    71    67  -0.17500 -1.0 2.0
   58    47    71    67   0.20800  1.0 3.0
   58    47    71    72   0.23400  1.0 3.0
   58    47    71    40   0.86500  1.0 1.0
   58    47    71    40  -0.17500 -1.0 2.0
   58    47    71    40   0.20800  1.0 3.0
   45    38    42    43   0.30150 -1.0 2.0
   45    38    42    47   0.65300  1.0 1.0
   45    38    42    47  -0.03850 -1.0 2.0
   45    38    42    47   0.33900  1.0 3.0
   46    45    52    53   0.00000  1.0 1.0
   46    45    52    54   0.00000  1.0 1.0
   46    45    52    55   0.00000  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
   38    47    42    43  10.50000 -1.0 2.0
   47    60    56    57  10.50000 -1.0 2.0
   61    62    60    56   4.00000 -1.0 2.0
   63    67    61    60   4.00000 -1.0 2.0
   70    64    63    61   1.10000 -1.0 2.0
   73    81    70    63   4.00000 -1.0 2.0
   75    74    73    70   1.10000 -1.0 2.0
   76    78    75    73   4.00000 -1.0 2.0
   80    77    76    75   1.10000 -1.0 2.0
   81    82    80    76   4.00000 -1.0 2.0
   80    62    81    70   4.00000 -1.0 2.0
   81    65    62    60   4.00000 -1.0 2.0
   38    52    45    46  10.50000 -1.0 2.0
END
