* LIGAND DATABASE FILE (OPLS2005)
*
001      93    93    168    245     488
    1     0 S   NP   _N1_     1    29.30582   101.06820   -19.21213
    2     1 S   H    _HN1     2     1.02777    91.28446  -121.14006
    3     1 S   H    _H1_     3     1.02958    54.51337    -9.39009
    4     1 S   H    _H2_     4     1.02835    63.73728   129.48741
    5     1 S   CT   _CA1     5     1.50131   155.96476    47.35354
    6     5 S   HC   _HA1     6     1.09580   105.20890   130.92164
    7     5 S   CO3  _C1_     7     1.53784   112.38955    10.78189
    8     7 S   O2Z  _O11     8     1.26362   114.99723   -43.41521
    9     7 S   O2Z  _O12     9     1.26241   114.93341   135.65961
   10     5 S   CT   _CB1    10     1.53101   107.41892  -111.19689
   11    10 S   HC   HB11    11     1.09824   109.29477   -50.67144
   12    10 S   HC   HB12    12     1.09814   110.46664    65.90365
   13    10 S   CT   _CG1    13     1.52983   112.61971  -171.75481
   14    13 S   HC   HG11    14     1.09594   110.44573   -64.83336
   15    13 S   HC   HG12    15     1.09651   109.85524    54.40833
   16    13 S   C    _CD1    16     1.51777   112.45619   174.57151
   17    16 S   O    _OE1    17     1.22747   123.25914    -1.63327
   18    16 S   N    _N2_    18     1.38509   111.67429   178.61323
   19    18 S   H    _HN2    19     1.01664   119.18211     4.17776
   20    18 S   CT1  _CA2    20     1.45915   122.97357   177.09862
   21    20 S   HC   _HA2    21     1.09700   109.17425    21.78570
   22    20 S   C    _C2_    22     1.52888   106.44655   -95.44863
   23    22 S   O    _O2_    23     1.23016   122.92508   -31.07027
   24    20 S   CT   _CB2    32     1.53146   111.89102   145.25242
   25    24 S   HC   HB21    33     1.09028   108.93699    52.19280
   26    24 S   HC   HB22    34     1.09403   110.07241   170.73401
   27    22 S   N    _N3_    24     1.38491   112.70698   151.34692
   28    27 S   H    _HN3    25     1.01658   120.36089    -0.38866
   29    24 S   S    _SG2    35     1.82796   110.66883   -68.99126
   30    27 S   CT   _CA3    26     1.45366   122.40083   178.83014
   31    30 S   HC   HA31    27     1.09567   107.37229   -66.41477
   32    30 S   HC   HA32    28     1.09579   108.03668    49.89100
   33    29 S   CT   _C18    36     1.86294   102.49196   165.25041
   34    33 S   OM   _O37    37     1.32166   108.21587   167.09793
   35    30 S   CO3  _C3_    29     1.52897   114.49047   172.05352
   36    35 S   O2Z  _O31    30     1.26312   116.15543     0.84256
   37    35 S   O2Z  _O32    31     1.26473   114.37801  -179.05622
   38    33 S   CM   _C13    38     1.56756   114.85377    45.92888
   39    38 S   CT   _C14    39     1.57962   113.07165  -133.19865
   40    38 S   CMA  _C12    70     1.38110   127.22293    48.70403
   41    40 S   OM   _O42    71     1.26789   129.49562  -172.17464
   42    39 S   CT   _C15    40     1.53719   110.82895   -37.30904
   43    42 S   HC   _H14    41     1.09786   110.37203   -60.41667
   44    42 S   HC   _H15    42     1.09643   111.08160  -177.23629
   45    39 S   CT   _C19    48     1.54428   109.85846    90.59011
   46    45 S   HC   _H18    49     1.09729   110.74899    69.13911
   47    45 S   HC   _H19    50     1.08964   111.22388   -49.29111
   48    39 S   OH   _O41    68     1.44246   110.83454  -150.89913
   49    48 S   HO   _H27    69     0.97217   108.47349  -168.51180
   50    40 S   CT   _C11    72     1.53439   122.99295     8.47113
   51    50 S   HC   _H12    73     1.10153   112.66158  -161.77586
   52    50 S   HC   _H13    74     1.08712   112.44611   -45.59533
   53    42 S   CO4  _C16    43     1.49853   112.89880    60.42180
   54    53 S   O    _O36    44     1.23169   121.19091   150.29195
   55    45 S   CO4  _C20    51     1.52056   114.20307  -171.04145
   56    55 S   O    _O38    52     1.23143   121.58588   -56.69549
   57    50 S   CO4  _C10    75     1.53006   112.58851    78.28382
   58    57 S   O    _O35    76     1.23221   123.01311    39.26539
   59    33 S   CT   _C17    45     1.55624   102.81645   -80.20820
   60    59 S   HC   _H16    46     1.09515   112.07274    52.51877
   61    59 S   HC   _H17    47     1.10134   111.73859   -66.91562
   62    55 S   CT   _C21    53     1.51174   117.20509   122.19075
   63    62 S   HC   _H20    54     1.09514   108.78531  -174.98761
   64    62 S   HC   _H21    55     1.09432   107.72761   -58.13141
   65    57 S   CT   _C9_    77     1.51290   116.60749  -144.60384
   66    65 S   HC   _H10    78     1.09412   108.75918    45.87904
   67    65 S   HC   _H11    79     1.09560   108.18892   162.63089
   68    62 S   CO4  _C22    56     1.51288   114.49227    64.19669
   69    68 S   O    _O39    57     1.23051   122.22072    17.86075
   70    65 S   CO4  _C8_    80     1.51181   114.57173   -76.41903
   71    70 S   O    _O34    81     1.22987   122.05106    -5.54263
   72    68 S   CT   _C23    58     1.51186   116.72830  -163.09631
   73    72 S   HC   _H22    59     1.09568   107.57636   -45.95024
   74    72 S   HC   _H23    60     1.09596   108.29151  -162.36724
   75    70 S   CT   _C7_    82     1.51429   115.75560   177.71501
   76    75 S   HC   _H8_    83     1.09501   109.17398   -37.82711
   77    75 S   HC   _H9_    84     1.09508   106.90315    79.74314
   78    72 S   CO4  _C24    61     1.50848   113.67963    76.86728
   79    78 S   O    _O40    62     1.22450   123.94909    15.69146
   80    75 S   CO4  _C6_    85     1.51463   115.75690  -158.48929
   81    80 S   O    _O33    86     1.23002   122.06351    28.74654
   82    78 S   S    _S1_    63     1.76465   113.48940  -165.54583
   83    80 S   CT   _C5_    87     1.51971   115.75579  -154.08498
   84    83 S   HC   _H6_    88     1.09504   108.18675    59.63788
   85    83 S   HC   _H7_    89     1.09503   108.12776   -57.95074
   86    82 S   CT   _C25    64     1.80598   100.21801   168.57020
   87    86 S   HC   _H24    65     1.09303   109.26245  -177.73549
   88    86 S   HC   _H25    66     1.09228   110.36364    62.93367
   89    86 S   HC   _H26    67     1.09342   110.56640   -58.27821
   90    83 S   CT   _C4_    90     1.51805   112.74150  -179.24801
   91    90 S   HC   _H3_    91     1.09504   111.05295    60.24738
   92    90 S   HC   _H4_    92     1.09431   110.38350  -179.75213
   93    90 S   HC   _H5_    93     1.09505   111.04311   -59.72643
  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
  14   7   2   1   1  20  17  11   4  13   6   5  11   5   4   3
   1   8   4   3   4   3   7   4   7   4   2   1   1   8   4   3
   8   4   3   7   4   7   4   6   4   3   8   4   3   6   2   8
   4   4   6   5   4   3   2   1   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    59    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    53    59    60    61    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    53    54    59    60    61    45    48    40    41    50  
   38    39    53    59    60    61    40  
   36    37  
   37  
    0  
   39    42    43    44    53    59    60    61    45    46    47    55    48    49    40    41    50    51    52    57  
   42    43    44    53    54    59    45    46    47    55    56    62    48    49    40    41    50  
   41    50    51    52    57    58    65    42    45    48    59  
   50    51    52    57  
   43    44    53    54    59    60    61    45    46    47    55    48    49  
   44    53    54    59    45    48  
   53    54    59    45    48  
   46    47    55    56    62    63    64    68    48    49    53  
   47    55    56    62    48  
   55    56    62    48  
   49    53    55  
    0  
   51    52    57    58    65    66    67    70  
   52    57    58    65  
   57    58    65  
   54    59    60    61  
   59    60    61  
   56    62    63    64    68    69    72  
   62    63    64    68  
   58    65    66    67    70    71    75  
   65    66    67    70  
   60    61  
   61  
    0  
   63    64    68    69    72    73    74    78  
   64    68    69    72  
   68    69    72  
   66    67    70    71    75    76    77    80  
   67    70    71    75  
   70    71    75  
   69    72    73    74    78    79    82  
   72    73    74    78  
   71    75    76    77    80    81    83  
   75    76    77    80  
   73    74    78    79    82    86  
   74    78    79    82  
   78    79    82  
   76    77    80    81    83    84    85    90  
   77    80    81    83  
   80    81    83  
   79    82    86    87    88    89  
   82    86  
   81    83    84    85    90    91    92    93  
   83    84    85    90  
   86    87    88    89  
   84    85    90    91    92    93  
   85    90    91    92    93  
   90    91    92    93  
   87    88    89  
   88    89  
   89  
    0  
   91    92    93  
   92    93  
   93  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   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    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   317.000  1.510
   33    59   268.000  1.529
   38    39   317.000  1.510
   38    40   465.000  1.376
   39    42   268.000  1.529
   39    45   268.000  1.529
   39    48   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    53   317.000  1.522
   53    54   570.000  1.229
   53    59   317.000  1.522
   59    60   340.000  1.090
   59    61   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    55   317.000  1.522
   55    56   570.000  1.229
   55    62   317.000  1.522
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   317.000  1.522
   68    69   570.000  1.229
   68    72   317.000  1.522
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    78   317.000  1.522
   78    79   570.000  1.229
   78    82   210.000  1.799
   82    86   222.000  1.810
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   48    49   553.000  0.945
   40    41   745.000  1.250
   40    50   270.000  1.512
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   317.000  1.522
   57    58   570.000  1.229
   57    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   317.000  1.522
   70    71   570.000  1.229
   70    75   317.000  1.522
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    80   317.000  1.522
   80    81   570.000  1.229
   80    83   317.000  1.522
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   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  112.20000
   29    33    59    75.00000  111.63000
   33    38    39    65.00000  117.92700
   33    38    40    70.00000  124.00000
   33    59    53    63.00000  111.10000
   33    59    60    37.50000  110.70000
   33    59    61    37.50000  110.70000
   38    33    34    85.00000  110.90400
   38    39    42    70.00000  112.02700
   38    39    45    70.00000  112.02700
   38    39    48    90.00000  110.39200
   38    40    41    65.00000  137.10300
   38    40    50    65.00000  122.18000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    53    63.00000  111.10000
   39    45    46    37.50000  110.70000
   39    45    47    37.50000  110.70000
   39    45    55    63.00000  111.10000
   39    48    49    55.00000  108.50000
   42    53    54    80.00000  120.40000
   42    53    59    70.00000  116.00000
   44    42    43    33.00000  107.80000
   53    42    43    35.00000  109.50000
   53    42    44    35.00000  109.50000
   53    59    60    35.00000  109.50000
   53    59    61    35.00000  109.50000
   59    33    34    50.00000  109.50000
   59    33    38    70.00000  112.02700
   59    53    54    80.00000  120.40000
   61    59    60    33.00000  107.80000
   45    39    42    58.35000  112.70000
   45    55    56    80.00000  120.40000
   45    55    62    70.00000  116.00000
   47    45    46    33.00000  107.80000
   55    45    46    35.00000  109.50000
   55    45    47    35.00000  109.50000
   55    62    63    35.00000  109.50000
   55    62    64    35.00000  109.50000
   55    62    68    75.00000  107.99600
   62    55    56    80.00000  120.40000
   62    68    69    80.00000  120.40000
   62    68    72    70.00000  116.00000
   64    62    63    33.00000  107.80000
   68    62    63    35.00000  109.50000
   68    62    64    35.00000  109.50000
   68    72    73    35.00000  109.50000
   68    72    74    35.00000  109.50000
   68    72    78    75.00000  107.99600
   72    68    69    80.00000  120.40000
   72    78    79    80.00000  120.40000
   72    78    82    70.00000  114.16300
   74    72    73    33.00000  107.80000
   78    72    73    35.00000  109.50000
   78    72    74    35.00000  109.50000
   78    82    86    90.00000   96.72000
   82    78    79    80.00000  121.30200
   82    86    87    35.00000  109.50000
   82    86    88    35.00000  109.50000
   82    86    89    35.00000  109.50000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   48    39    42    50.00000  109.50000
   48    39    45    50.00000  109.50000
   40    38    39    70.00000  124.00000
   40    50    51    45.00000  110.52000
   40    50    52    45.00000  110.52000
   40    50    57    70.00000  109.06800
   50    40    41    85.00000  112.85300
   50    57    58    80.00000  120.40000
   50    57    65    70.00000  116.00000
   52    50    51    33.00000  107.80000
   57    50    51    35.00000  109.50000
   57    50    52    35.00000  109.50000
   57    65    66    35.00000  109.50000
   57    65    67    35.00000  109.50000
   57    65    70    75.00000  107.99600
   65    57    58    80.00000  120.40000
   65    70    71    80.00000  120.40000
   65    70    75    70.00000  116.00000
   67    65    66    33.00000  107.80000
   70    65    66    35.00000  109.50000
   70    65    67    35.00000  109.50000
   70    75    76    35.00000  109.50000
   70    75    77    35.00000  109.50000
   70    75    80    75.00000  107.99600
   75    70    71    80.00000  120.40000
   75    80    81    80.00000  120.40000
   75    80    83    70.00000  116.00000
   77    75    76    33.00000  107.80000
   80    75    76    35.00000  109.50000
   80    75    77    35.00000  109.50000
   80    83    84    35.00000  109.50000
   80    83    85    35.00000  109.50000
   80    83    90    63.00000  111.10000
   83    80    81    80.00000  120.40000
   83    90    91    37.50000  110.70000
   83    90    92    37.50000  110.70000
   83    90    93    37.50000  110.70000
   85    83    84    33.00000  107.80000
   90    83    84    37.50000  110.70000
   90    83    85    37.50000  110.70000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    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  -0.62250  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    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   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   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  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    59    53   0.56750  1.0 1.0
   29    33    59    53  -0.07550 -1.0 2.0
   29    33    59    53   0.20000  1.0 3.0
   29    33    59    60   0.15000  1.0 3.0
   29    33    59    61   0.15000  1.0 3.0
   33    38    39    42   0.46850  1.0 1.0
   33    38    39    42   0.08550 -1.0 2.0
   33    38    39    42   0.09800  1.0 3.0
   33    38    39    45   0.46850  1.0 1.0
   33    38    39    45   0.08550 -1.0 2.0
   33    38    39    45   0.09800  1.0 3.0
   33    38    39    48   0.18000  1.0 1.0
   33    38    39    48   0.16450 -1.0 2.0
   33    38    39    48   0.04450  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    50   7.00000 -1.0 2.0
   34    33    38    39   0.09700  1.0 1.0
   34    33    38    39   0.15600 -1.0 2.0
   34    33    38    39  -0.50800  1.0 3.0
   34    33    38    40   0.39000  1.0 1.0
   34    33    38    40  -0.05800 -1.0 2.0
   34    33    38    40  -0.55150  1.0 3.0
   34    33    59    53  -0.09450  1.0 1.0
   34    33    59    53  -1.12950 -1.0 2.0
   34    33    59    53   0.54000  1.0 3.0
   34    33    59    60   0.23400  1.0 3.0
   34    33    59    61   0.23400  1.0 3.0
   38    33    59    53  -0.98800  1.0 1.0
   38    33    59    53   0.48800 -1.0 2.0
   38    33    59    53   0.76800  1.0 3.0
   38    33    59    60   0.15000  1.0 3.0
   38    33    59    61   0.15000  1.0 3.0
   38    39    42    43   0.15000  1.0 3.0
   38    39    42    44   0.15000  1.0 3.0
   38    39   -42    53  -0.98800  1.0 1.0
   38    39   -42    53   0.48800 -1.0 2.0
   38    39   -42    53   0.76800  1.0 3.0
   38    39    45    46   0.15000  1.0 3.0
   38    39    45    47   0.15000  1.0 3.0
   38    39    45    55  -0.98800  1.0 1.0
   38    39    45    55   0.48800 -1.0 2.0
   38    39    45    55   0.76800  1.0 3.0
   38    39    48    49  -0.07800  1.0 1.0
   38    39    48    49  -0.21500 -1.0 2.0
   38    39    48    49  -0.03150  1.0 3.0
   38    40    50    51   0.00000  1.0 1.0
   38    40    50    52   0.00000  1.0 1.0
   38    40    50    57  -0.51250  1.0 1.0
   38    40    50    57  -0.88800 -1.0 2.0
   38    40    50    57   0.08850  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    50   7.00000 -1.0 2.0
   39    42    53    54   0.30150 -1.0 2.0
   39    42    53    59   0.60050  1.0 1.0
   39    42    53    59   0.05600 -1.0 2.0
   39    42    53    59   0.26150  1.0 3.0
   39    45    55    56   0.30150 -1.0 2.0
   39    45    55    62   0.60050  1.0 1.0
   39    45    55    62   0.05600 -1.0 2.0
   39    45    55    62   0.26150  1.0 3.0
   42    39    45    46   0.15000  1.0 3.0
   42    39    45    47   0.15000  1.0 3.0
   42    39    45    55  -0.95700  1.0 1.0
   42    39    45    55  -0.18200 -1.0 2.0
   42    39    45    55   0.29450  1.0 3.0
   42    39    48    49  -0.11600  1.0 1.0
   42    39    48    49  -0.09450 -1.0 2.0
   42    39    48    49   0.21250  1.0 3.0
   42    53   -59    33   0.60050  1.0 1.0
   42    53   -59    33   0.05600 -1.0 2.0
   42    53   -59    33   0.26150  1.0 3.0
   42    53    59    60   0.00000  1.0 1.0
   42    53    59    61   0.00000  1.0 1.0
   43    42    53    54   0.00000  1.0 1.0
   43    42    53    59   0.00000  1.0 1.0
   44    42    53    54   0.00000  1.0 1.0
   44    42    53    59   0.00000  1.0 1.0
   54    53    59    33   0.30150 -1.0 2.0
   54    53    59    60   0.00000  1.0 1.0
   54    53    59    61   0.00000  1.0 1.0
   59    33   -38    39   0.46850  1.0 1.0
   59    33   -38    39   0.08550 -1.0 2.0
   59    33   -38    39   0.09800  1.0 3.0
   59    33    38    40   0.09850  1.0 1.0
   59    33    38    40   0.15250 -1.0 2.0
   59    33    38    40  -0.50650  1.0 3.0
   45    39    42    43   0.15000  1.0 3.0
   45    39    42    44   0.15000  1.0 3.0
   45    39    42    53  -0.95700  1.0 1.0
   45    39    42    53  -0.18200 -1.0 2.0
   45    39    42    53   0.29450  1.0 3.0
   45    39    48    49  -0.11600  1.0 1.0
   45    39    48    49  -0.09450 -1.0 2.0
   45    39    48    49   0.21250  1.0 3.0
   45    55    62    63   0.00000  1.0 1.0
   45    55    62    64   0.00000  1.0 1.0
   45    55    62    68   0.65300  1.0 1.0
   45    55    62    68  -0.03850 -1.0 2.0
   45    55    62    68   0.33900  1.0 3.0
   46    45    55    56   0.00000  1.0 1.0
   46    45    55    62   0.00000  1.0 1.0
   47    45    55    56   0.00000  1.0 1.0
   47    45    55    62   0.00000  1.0 1.0
   55    62    68    69   0.30150 -1.0 2.0
   55    62    68    72   0.65300  1.0 1.0
   55    62    68    72  -0.03850 -1.0 2.0
   55    62    68    72   0.33900  1.0 3.0
   56    55    62    63   0.00000  1.0 1.0
   56    55    62    64   0.00000  1.0 1.0
   56    55    62    68   0.30150 -1.0 2.0
   62    68    72    73   0.00000  1.0 1.0
   62    68    72    74   0.00000  1.0 1.0
   62    68    72    78   0.65300  1.0 1.0
   62    68    72    78  -0.03850 -1.0 2.0
   62    68    72    78   0.33900  1.0 3.0
   63    62    68    69   0.00000  1.0 1.0
   63    62    68    72   0.00000  1.0 1.0
   64    62    68    69   0.00000  1.0 1.0
   64    62    68    72   0.00000  1.0 1.0
   68    72    78    79   0.30150 -1.0 2.0
   68    72    78    82   0.00000  1.0 1.0
   69    68    72    73   0.00000  1.0 1.0
   69    68    72    74   0.00000  1.0 1.0
   69    68    72    78   0.30150 -1.0 2.0
   72    78    82    86  -0.11550  1.0 1.0
   72    78    82    86   1.88700 -1.0 2.0
   73    72    78    79   0.00000  1.0 1.0
   73    72    78    82   0.00000  1.0 1.0
   74    72    78    79   0.00000  1.0 1.0
   74    72    78    82   0.00000  1.0 1.0
   78    82    86    87   0.24000  1.0 3.0
   78    82    86    88   0.24000  1.0 3.0
   78    82    86    89   0.24000  1.0 3.0
   79    78    82    86  -0.11550  1.0 1.0
   79    78    82    86   1.88700 -1.0 2.0
   48    39    42    43   0.23400  1.0 3.0
   48    39    42    44   0.23400  1.0 3.0
   48    39    42    53  -0.09450  1.0 1.0
   48    39    42    53  -1.12950 -1.0 2.0
   48    39    42    53   0.54000  1.0 3.0
   48    39    45    46   0.23400  1.0 3.0
   48    39    45    47   0.23400  1.0 3.0
   48    39    45    55  -0.09450  1.0 1.0
   48    39    45    55  -1.12950 -1.0 2.0
   48    39    45    55   0.54000  1.0 3.0
   40    38    39    42   0.09850  1.0 1.0
   40    38    39    42   0.15250 -1.0 2.0
   40    38    39    42  -0.50650  1.0 3.0
   40    38    39    45   0.09850  1.0 1.0
   40    38    39    45   0.15250 -1.0 2.0
   40    38    39    45  -0.50650  1.0 3.0
   40    38    39    48   0.67800  1.0 1.0
   40    38    39    48   0.47050 -1.0 2.0
   40    38    39    48  -0.62500  1.0 3.0
   40    50    57    58   0.30150 -1.0 2.0
   40    50    57    65   0.65300  1.0 1.0
   40    50    57    65  -0.03850 -1.0 2.0
   40    50    57    65   0.33900  1.0 3.0
   41    40    50    51   0.00000  1.0 1.0
   41    40    50    52   0.00000  1.0 1.0
   41    40    50    57   0.09700  1.0 1.0
   41    40    50    57   0.15600 -1.0 2.0
   41    40    50    57  -0.50800  1.0 3.0
   50    57    65    66   0.00000  1.0 1.0
   50    57    65    67   0.00000  1.0 1.0
   50    57    65    70   0.65300  1.0 1.0
   50    57    65    70  -0.03850 -1.0 2.0
   50    57    65    70   0.33900  1.0 3.0
   51    50    57    58   0.00000  1.0 1.0
   51    50    57    65   0.00000  1.0 1.0
   52    50    57    58   0.00000  1.0 1.0
   52    50    57    65   0.00000  1.0 1.0
   57    65    70    71   0.30150 -1.0 2.0
   57    65    70    75   0.65300  1.0 1.0
   57    65    70    75  -0.03850 -1.0 2.0
   57    65    70    75   0.33900  1.0 3.0
   58    57    65    66   0.00000  1.0 1.0
   58    57    65    67   0.00000  1.0 1.0
   58    57    65    70   0.30150 -1.0 2.0
   65    70    75    76   0.00000  1.0 1.0
   65    70    75    77   0.00000  1.0 1.0
   65    70    75    80   0.65300  1.0 1.0
   65    70    75    80  -0.03850 -1.0 2.0
   65    70    75    80   0.33900  1.0 3.0
   66    65    70    71   0.00000  1.0 1.0
   66    65    70    75   0.00000  1.0 1.0
   67    65    70    71   0.00000  1.0 1.0
   67    65    70    75   0.00000  1.0 1.0
   70    75    80    81   0.30150 -1.0 2.0
   70    75    80    83   0.65300  1.0 1.0
   70    75    80    83  -0.03850 -1.0 2.0
   70    75    80    83   0.33900  1.0 3.0
   71    70    75    76   0.00000  1.0 1.0
   71    70    75    77   0.00000  1.0 1.0
   71    70    75    80   0.30150 -1.0 2.0
   75    80    83    84   0.00000  1.0 1.0
   75    80    83    85   0.00000  1.0 1.0
   75    80    83    90   0.60050  1.0 1.0
   75    80    83    90   0.05600 -1.0 2.0
   75    80    83    90   0.26150  1.0 3.0
   76    75    80    81   0.00000  1.0 1.0
   76    75    80    83   0.00000  1.0 1.0
   77    75    80    81   0.00000  1.0 1.0
   77    75    80    83   0.00000  1.0 1.0
   80    83    90    91  -0.11250  1.0 3.0
   80    83    90    92  -0.11250  1.0 3.0
   80    83    90    93  -0.11250  1.0 3.0
   81    80    83    84   0.00000  1.0 1.0
   81    80    83    85   0.00000  1.0 1.0
   81    80    83    90   0.30150 -1.0 2.0
   84    83    90    91   0.15000  1.0 3.0
   84    83    90    92   0.15000  1.0 3.0
   84    83    90    93   0.15000  1.0 3.0
   85    83    90    91   0.15000  1.0 3.0
   85    83    90    92   0.15000  1.0 3.0
   85    83    90    93   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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    59    53    54  10.50000 -1.0 2.0
   45    62    55    56  10.50000 -1.0 2.0
   62    72    68    69  10.50000 -1.0 2.0
   72    82    78    79  10.50000 -1.0 2.0
   50    41    40    38   1.10000 -1.0 2.0
   50    65    57    58  10.50000 -1.0 2.0
   65    75    70    71  10.50000 -1.0 2.0
   75    83    80    81  10.50000 -1.0 2.0
END
