* LIGAND DATABASE FILE (OPLS2005)
*
001      94    97    164    270     489
    1     0 S   NP   _N1_     1    28.13403    96.70963   -22.79085
    2     1 S   H    _HN1     2     1.02778   103.07293  -107.85551
    3     1 S   H    _H1_     3     1.02957    75.53236    -1.99204
    4     1 S   H    _H2_     4     1.02836    35.66410   149.60927
    5     1 S   CT   _CA1     5     1.50125   139.13551   102.61381
    6     5 S   HC   _HA1     6     1.09576   105.22374    86.36635
    7     5 S   CO3  _C1_     7     1.53785   112.29524   -33.82885
    8     7 S   O2Z  _O11     8     1.26362   115.00942   -45.75958
    9     7 S   O2Z  _O12     9     1.26230   114.92258   133.29860
   10     5 S   CT   _CB1    10     1.53091   107.41430  -155.76172
   11    10 S   HC   HB11    11     1.09828   109.33683   -50.67716
   12    10 S   HC   HB12    12     1.09816   110.43733    65.87021
   13    10 S   CT   _CG1    13     1.53023   112.66559  -171.74227
   14    13 S   HC   HG11    14     1.09597   110.49287   -64.00806
   15    13 S   HC   HG12    15     1.09655   109.92732    55.19480
   16    13 S   C    _CD1    16     1.51846   112.27259   175.56072
   17    16 S   O    _OE1    17     1.22755   123.24997     0.11869
   18    16 S   N    _N2_    18     1.38517   111.72251  -179.87646
   19    18 S   H    _HN2    19     1.01577   119.12113     4.49789
   20    18 S   CT1  _CA2    20     1.45928   122.96873   178.17544
   21    20 S   HC   _HA2    21     1.09721   108.90114    24.11455
   22    20 S   C    _C2_    22     1.52881   106.69505   -92.98219
   23    22 S   O    _O2_    23     1.23013   122.91786   -29.81699
   24    20 S   CT   _CB2    32     1.53115   112.03974   147.19946
   25    24 S   HC   HB21    33     1.09549   110.06263    54.72534
   26    24 S   HC   HB22    34     1.09515   110.33880   173.71581
   27    22 S   N    _N3_    24     1.38505   112.75126   152.39314
   28    27 S   H    _HN3    25     1.01669   120.35891     0.01978
   29    24 S   S    _SG2    35     1.82823   110.80328   -66.28541
   30    27 S   CT   _CA3    26     1.45376   122.33138   178.91213
   31    30 S   HC   HA31    27     1.09562   107.32337   -67.67890
   32    30 S   HC   HA32    28     1.09577   108.09108    48.61918
   33    29 S   CT   _C15    36     1.84384    99.33722   175.22459
   34    33 S   HC   _H4_    37     1.09314   105.57760    42.88075
   35    30 S   CO3  _C3_    29     1.52868   114.56212   170.82583
   36    35 S   O2Z  _O31    30     1.26298   116.17753     0.85386
   37    35 S   O2Z  _O32    31     1.26479   114.36217  -179.03025
   38    33 S   CA   _C16    38     1.51989   110.03133   160.21474
   39    33 S   CM   _C14    69     1.51613   109.36645   -74.94970
   40    39 S   HC   _H12    70     1.09180   115.59740   -43.71937
   41    38 S   CA   _C17    39     1.41061   121.46318    74.59576
   42    41 S   HA   _H13    40     1.08808   120.24372    -0.33746
   43    39 S   CMA  _C13    71     1.35639   126.93247   134.87889
   44    43 S   OM   _O42    72     1.26742   123.29345  -178.00002
   45    41 S   CA   _C18    41     1.40411   121.63912   179.84677
   46    45 S   HA   _H14    42     1.08631   119.16285  -179.87028
   47    43 S   OS   _O35    73     1.41343   111.27115     2.16591
   48    45 S   CA   _C19    43     1.39088   119.94576     0.02798
   49    47 S   CT   _C11    74     1.43670   118.49357   168.28055
   50    49 S   HC   _H3_    75     1.09727   112.87469   -22.98539
   51    48 S   CA   _C20    44     1.38027   118.65355     0.24866
   52    48 S   OH   _O41    67     1.36226   121.46822  -179.39867
   53    52 S   HO   _H20    68     0.97207   108.58175    -0.67115
   54    49 S   CO3  _C12    76     1.53795   108.17361    99.95548
   55    54 S   O2Z  _O34    77     1.26459   116.12356    49.48765
   56    54 S   O2Z  _O33    78     1.26546   114.78483  -132.02460
   57    49 S   CT   _C10    79     1.53699   108.27611  -144.69616
   58    57 S   HC   _H10    80     1.09790   110.87795   -32.56753
   59    57 S   HC   _H11    81     1.09777   110.35221  -150.32416
   60    38 S   CA   _C21    45     1.39829   121.65433  -104.67638
   61    57 S   CA   _C9_    82     1.51444   112.50881    88.21886
   62    60 S   CT   _C22    46     1.48953   130.09723     1.26841
   63    62 S   HC   _H5_    47     1.09542   111.01308   -51.66214
   64    61 S   CA   _C4_    83     1.40253   120.30760   116.31924
   65    64 S   HA   _H7_    84     1.08727   120.34574    -0.28046
   66    62 S   CT   _C23    48     1.54613   100.77542  -171.02885
   67    66 S   HC   _H6_    49     1.09838   111.48776  -130.37895
   68    62 S   CO3  _C30    64     1.53296   111.09777    72.03040
   69    68 S   O2Z  _O40    65     1.26344   116.71908    58.80622
   70    68 S   O2Z  _O39    66     1.26505   114.34744  -121.90990
   71    64 S   CA   _C5_    85     1.39704   120.69348   179.62675
   72    71 S   HA   _H8_    86     1.08602   119.30871  -179.73980
   73    66 S   CA   _C24    50     1.52430   113.25086   110.42698
   74    51 S   OS   _O36    63     1.37042   124.06548  -179.82417
   75    71 S   CA   _C6_    87     1.39331   119.74541     0.00000
   76    73 S   CA   _C25    51     1.40658   119.10349    60.56768
   77    76 S   HA   _H15    52     1.08824   120.11728    -0.64559
   78    75 S   CA   _C7_    88     1.39120   120.10956     0.01978
   79    75 S   OH   _O44    93     1.36713   120.49263  -179.52194
   80    79 S   HO   _H22    94     0.97204   108.57419     0.14127
   81    76 S   CA   _C26    53     1.39663   121.08167   179.69290
   82    81 S   HA   _H16    54     1.08602   119.32987   179.34270
   83    61 S   CA   _C8_    89     1.40172   120.84357   -64.14488
   84    83 S   HA   _H9_    90     1.08475   119.70882    -0.02798
   85    78 S   OH   _O43    91     1.36741   119.47278  -179.60435
   86    85 S   HO   _H21    92     0.97260   108.37059  -179.39704
   87    81 S   CA   _C27    55     1.39171   119.63845    -0.64952
   88    87 S   CA   _C28    56     1.39132   120.05562    -0.12033
   89    87 S   OH   _O38    61     1.36700   120.50941   179.75611
   90    89 S   HO   _H19    62     0.97198   108.60887    -1.12170
   91    73 S   CA   _C29    57     1.40332   122.44378  -120.98275
   92    91 S   HA   _H17    58     1.08665   120.40566     0.93712
   93    88 S   OH   _O37    59     1.36810   119.23913  -179.94766
   94    93 S   HO   _H18    60     0.97237   108.56430  -174.63728
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  13   6   2   1   1  15   7   3   8   4   6   2   7   3   9   7
  10   7  10   3   1   6   2   1   9   4   3   9   9  10   7   8
   4  12   5   4   1   1   7   3  10   2   7   8   4   6   3   1
   7   3   3   1   1   1   7   6   3   1   3   1   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    41    60    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    51    60    62    39    40    43    44    47  
   38    41    60    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    51    60    62    63    66    74    68    39    40    43  
   40    43    44    47    49    41    60  
   43    44    47  
   42    45    46    48    51    60    62    52  
   45    46    48    60  
   44    47    49    50    54    57  
   47    49  
   46    48    51    60    74    52    53  
   48    51    52  
   49    50    54    55    56    57    58    59    61  
   51    60    62    66    74    52    53  
   50    54    55    56    57    58    59    61    64    83  
   54    55    56    57    58    59    61  
   60    62    63    66    67    73    74    68    52    53  
   53    60    74  
    0  
   55    56    57    58    59    61  
   56    57  
   57  
   58    59    61    64    65    71    78    83    84  
   59    61    64    83  
   61    64    83  
   62    63    66    67    73    74    68    69    70  
   64    65    71    72    75    78    83    84    85  
   63    66    67    73    76    91    74    68    69    70  
   66    67    73    74    68    69    70  
   65    71    72    75    78    83    84    79  
   71    72    75    83  
   67    73    76    77    81    88    91    92    74    68    69    70  
   73    76    91    74    68  
   69    70    73    74  
   70  
    0  
   72    75    78    83    85    79    80  
   75    78    79  
   76    77    81    82    87    88    91    92    93    74  
   76    91  
   78    83    84    85    86    79    80  
   77    81    82    87    88    91    92    89  
   81    82    87    91  
   83    84    85    86    79    80  
   80    83    85  
    0  
   82    87    88    91    93    89    90  
   87    88    89  
   84    85    86  
   85  
   86  
    0  
   88    91    92    93    94    89    90  
   91    92    93    94    89    90  
   90    91    93  
    0  
   92    93    94  
   93  
   94  
    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  -0.335000   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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   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   3.5000   0.0660  -0.045000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   74   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   79   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   85   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   87   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   88   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   89   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   90   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   91   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   92   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   93   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   94   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   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    60   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    51   469.000  1.400
   48    52   450.000  1.364
   51    60   469.000  1.400
   51    74   450.000  1.364
   60    62   317.000  1.510
   62    63   340.000  1.090
   62    66   268.000  1.529
   62    68   317.000  1.522
   66    67   340.000  1.090
   66    73   317.000  1.510
   66    74   320.000  1.410
   73    76   469.000  1.400
   73    91   469.000  1.400
   76    77   367.000  1.080
   76    81   469.000  1.400
   81    82   367.000  1.080
   81    87   469.000  1.400
   87    88   469.000  1.400
   87    89   450.000  1.364
   88    91   469.000  1.400
   88    93   450.000  1.364
   91    92   367.000  1.080
   93    94   553.000  0.945
   89    90   553.000  0.945
   68    69   656.000  1.250
   68    70   656.000  1.250
   52    53   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   440.000  1.360
   47    49   320.000  1.410
   49    50   340.000  1.090
   49    54   317.000  1.522
   49    57   268.000  1.529
   54    55   656.000  1.250
   54    56   656.000  1.250
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    61   317.000  1.510
   61    64   469.000  1.400
   61    83   469.000  1.400
   64    65   367.000  1.080
   64    71   469.000  1.400
   71    72   367.000  1.080
   71    75   469.000  1.400
   75    78   469.000  1.400
   75    79   450.000  1.364
   78    83   469.000  1.400
   78    85   450.000  1.364
   83    84   367.000  1.080
   85    86   553.000  0.945
   79    80   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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    60    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    60    51    63.00000  120.00000
   38    60    62    70.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    51    63.00000  120.00000
   45    48    52    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    51    60    63.00000  120.00000
   48    51    74    70.00000  120.00000
   48    52    53    35.00000  113.00000
   51    60    62    70.00000  120.00000
   51    74    66    75.00000  111.00000
   60    38    41    63.00000  120.00000
   60    62    63    35.00000  109.50000
   60    62    66    70.00000  112.17500
   60    62    68    70.00000  106.62600
   62    66    67    37.50000  110.70000
   62    66    73    70.00000  112.17500
   62    66    74    50.00000  109.50000
   62    68    69    70.00000  117.00000
   62    68    70    70.00000  117.00000
   66    62    63    37.50000  110.70000
   66    73    76    70.00000  120.00000
   66    73    91    70.00000  120.00000
   73    66    67    35.00000  109.50000
   73    76    77    35.00000  120.00000
   73    76    81    63.00000  120.00000
   73    91    88    63.00000  120.00000
   73    91    92    35.00000  120.00000
   76    81    82    35.00000  120.00000
   76    81    87    63.00000  120.00000
   81    76    77    35.00000  120.00000
   81    87    88    63.00000  120.00000
   81    87    89    70.00000  120.00000
   87    81    82    35.00000  120.00000
   87    88    91    63.00000  120.00000
   87    88    93    70.00000  120.00000
   87    89    90    35.00000  113.00000
   88    91    92    35.00000  120.00000
   88    93    94    35.00000  113.00000
   91    73    76    63.00000  120.00000
   93    88    91    70.00000  120.00000
   89    87    88    70.00000  120.00000
   74    51    60    70.00000  120.00000
   74    66    67    35.00000  109.50000
   74    66    73    85.00000  111.85700
   68    62    63    35.00000  109.50000
   68    62    66    70.00000  109.69300
   70    68    69    80.00000  126.00000
   52    48    51    70.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    80.00000  120.01400
   43    39    40    40.00000  120.50800
   43    47    49    90.00000  111.18400
   47    43    44    65.00000  121.00000
   47    49    50    35.00000  109.50000
   47    49    54    85.00000  109.63000
   47    49    57    50.00000  109.50000
   49    54    55    70.00000  117.00000
   49    54    56    70.00000  117.00000
   49    57    58    37.50000  110.70000
   49    57    59    37.50000  110.70000
   49    57    61    70.00000  112.17500
   54    49    50    35.00000  109.50000
   56    54    55    80.00000  126.00000
   57    49    50    37.50000  110.70000
   57    49    54    70.00000  109.69300
   57    61    64    70.00000  120.00000
   57    61    83    70.00000  120.00000
   59    57    58    33.00000  107.80000
   61    57    58    35.00000  109.50000
   61    57    59    35.00000  109.50000
   61    64    65    35.00000  120.00000
   61    64    71    63.00000  120.00000
   61    83    78    63.00000  120.00000
   61    83    84    35.00000  120.00000
   64    71    72    35.00000  120.00000
   64    71    75    63.00000  120.00000
   71    64    65    35.00000  120.00000
   71    75    78    63.00000  120.00000
   71    75    79    70.00000  120.00000
   75    71    72    35.00000  120.00000
   75    78    83    63.00000  120.00000
   75    78    85    70.00000  120.00000
   75    79    80    35.00000  113.00000
   78    83    84    35.00000  120.00000
   78    85    86    35.00000  113.00000
   83    61    64    63.00000  120.00000
   85    78    83    70.00000  120.00000
   79    75    78    70.00000  120.00000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    60  -0.16000  1.0 1.0
   29    33    38    60  -0.03200 -1.0 2.0
   29    33    38    60   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    60    51   3.62500 -1.0 2.0
   33    38    60    62   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    60   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   38    60    62    63   0.00000  1.0 1.0
   38    60    62    66   0.04150 -1.0 2.0
   38    60    62    68   0.04300 -1.0 2.0
   41    38    60    51   3.62500 -1.0 2.0
   41    38    60    62   3.62500 -1.0 2.0
   41    45   -48    51   3.62500 -1.0 2.0
   41    45    48    52   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    51    60   3.62500 -1.0 2.0
   45    48    51    74   3.62500 -1.0 2.0
   45    48    52    53   0.84100 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   46    45    48    52   3.62500 -1.0 2.0
   48    51   -60    38   3.62500 -1.0 2.0
   48    51    60    62   3.62500 -1.0 2.0
   48    51    74    66   1.63200 -1.0 2.0
   51    48    52    53   0.84100 -1.0 2.0
   51    60    62    63   0.00000  1.0 1.0
   51    60   -62    66   0.04150 -1.0 2.0
   51    60    62    68   0.04300 -1.0 2.0
   60    38    41    42   3.62500 -1.0 2.0
   60    38   -41    45   3.62500 -1.0 2.0
   60    51   -74    66   1.63200 -1.0 2.0
   60    62    66    67   0.43200  1.0 3.0
   60    62    66    73  -0.94300  1.0 1.0
   60    62    66    73   1.32550 -1.0 2.0
   60    62    66    73  -0.07100  1.0 3.0
   60    62   -66    74  -0.64350  1.0 1.0
   60    62   -66    74  -0.04200 -1.0 2.0
   60    62   -66    74   0.19800  1.0 3.0
   60    62    68    69   0.30150 -1.0 2.0
   60    62    68    70   0.30150 -1.0 2.0
   62    66    73    76   0.04150 -1.0 2.0
   62    66    73    91   0.04150 -1.0 2.0
   62    66   -74    51  -0.32850  1.0 1.0
   62    66   -74    51  -0.35800 -1.0 2.0
   62    66   -74    51   0.33950  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    73   0.43200  1.0 3.0
   63    62    66    74   0.23400  1.0 3.0
   63    62    68    69   0.00000  1.0 1.0
   63    62    68    70   0.00000  1.0 1.0
   66    62    68    69   0.41150 -1.0 2.0
   66    62    68    70   0.41150 -1.0 2.0
   66    73    76    77   3.62500 -1.0 2.0
   66    73    76    81   3.62500 -1.0 2.0
   66    73    91    88   3.62500 -1.0 2.0
   66    73    91    92   3.62500 -1.0 2.0
   67    66    73    76   0.00000  1.0 1.0
   67    66    73    91   0.00000  1.0 1.0
   67    66    74    51   0.08050  1.0 3.0
   73    66    74    51  -0.50150  1.0 1.0
   73    66    74    51  -0.23050 -1.0 2.0
   73    66    74    51   0.70600  1.0 3.0
   73    76    81    82   3.62500 -1.0 2.0
   73    76    81    87   3.62500 -1.0 2.0
   76    73    91    88   3.62500 -1.0 2.0
   76    73    91    92   3.62500 -1.0 2.0
   76    81   -87    88   3.62500 -1.0 2.0
   76    81    87    89   3.62500 -1.0 2.0
   77    76    81    82   3.62500 -1.0 2.0
   77    76    81    87   3.62500 -1.0 2.0
   81    87    88    91   3.62500 -1.0 2.0
   81    87    88    93   3.62500 -1.0 2.0
   81    87    89    90   0.84100 -1.0 2.0
   82    81    87    88   3.62500 -1.0 2.0
   82    81    87    89   3.62500 -1.0 2.0
   87    88   -91    73   3.62500 -1.0 2.0
   87    88    91    92   3.62500 -1.0 2.0
   87    88    93    94   0.84100 -1.0 2.0
   88    87    89    90   0.84100 -1.0 2.0
   91    73    76    77   3.62500 -1.0 2.0
   91    73   -76    81   3.62500 -1.0 2.0
   91    88    93    94   0.84100 -1.0 2.0
   93    88    91    73   3.62500 -1.0 2.0
   93    88    91    92   3.62500 -1.0 2.0
   89    87    88    91   3.62500 -1.0 2.0
   89    87    88    93   3.62500 -1.0 2.0
   74    51    60    38   3.62500 -1.0 2.0
   74    51   -60    62   3.62500 -1.0 2.0
   74    66    73    76   0.64500  1.0 1.0
   74    66    73    76   0.14800 -1.0 2.0
   74    66    73    76   0.20650  1.0 3.0
   74    66    73    91   0.64500  1.0 1.0
   74    66    73    91   0.14800 -1.0 2.0
   74    66    73    91   0.20650  1.0 3.0
   68    62    66    67  -0.11250  1.0 3.0
   68    62    66    73  -2.95950  1.0 1.0
   68    62    66    73   0.02300  1.0 3.0
   68    62    66    74  -3.35100  1.0 1.0
   68    62    66    74  -0.37050 -1.0 2.0
   68    62    66    74   0.22400  1.0 3.0
   52    48    51    60   3.62500 -1.0 2.0
   52    48    51    74   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    60   0.18050 -1.0 2.0
   39    43    47    49  -2.26850  1.0 1.0
   39    43    47    49   3.39050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    49    50   0.08050  1.0 3.0
   43    47    49    54  -0.48150  1.0 1.0
   43    47    49    54   0.09250 -1.0 2.0
   43    47    49    54  -0.12850  1.0 3.0
   43    47    49    57  -0.46850  1.0 1.0
   43    47    49    57   0.09300 -1.0 2.0
   43    47    49    57  -0.12850  1.0 3.0
   44    43    47    49   2.00000 -1.0 2.0
   47    49    54    55   0.30150 -1.0 2.0
   47    49    54    56   0.30150 -1.0 2.0
   47    49    57    58   0.23400  1.0 3.0
   47    49    57    59   0.23400  1.0 3.0
   47    49    57    61  -0.64350  1.0 1.0
   47    49    57    61  -0.04200 -1.0 2.0
   47    49    57    61   0.19800  1.0 3.0
   49    57    61    64   0.04150 -1.0 2.0
   49    57    61    83   0.04150 -1.0 2.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    56   0.00000  1.0 1.0
   50    49    57    58   0.15000  1.0 3.0
   50    49    57    59   0.15000  1.0 3.0
   50    49    57    61   0.43200  1.0 3.0
   54    49    57    58  -0.11250  1.0 3.0
   54    49    57    59  -0.11250  1.0 3.0
   54    49    57    61  -2.95950  1.0 1.0
   54    49    57    61   0.02300  1.0 3.0
   57    49    54    55   0.41150 -1.0 2.0
   57    49    54    56   0.41150 -1.0 2.0
   57    61    64    65   3.62500 -1.0 2.0
   57    61    64    71   3.62500 -1.0 2.0
   57    61    83    78   3.62500 -1.0 2.0
   57    61    83    84   3.62500 -1.0 2.0
   58    57    61    64   0.00000  1.0 1.0
   58    57    61    83   0.00000  1.0 1.0
   59    57    61    64   0.00000  1.0 1.0
   59    57    61    83   0.00000  1.0 1.0
   61    64    71    72   3.62500 -1.0 2.0
   61    64    71    75   3.62500 -1.0 2.0
   64    61    83    78   3.62500 -1.0 2.0
   64    61    83    84   3.62500 -1.0 2.0
   64    71   -75    78   3.62500 -1.0 2.0
   64    71    75    79   3.62500 -1.0 2.0
   65    64    71    72   3.62500 -1.0 2.0
   65    64    71    75   3.62500 -1.0 2.0
   71    75    78    83   3.62500 -1.0 2.0
   71    75    78    85   3.62500 -1.0 2.0
   71    75    79    80   0.84100 -1.0 2.0
   72    71    75    78   3.62500 -1.0 2.0
   72    71    75    79   3.62500 -1.0 2.0
   75    78   -83    61   3.62500 -1.0 2.0
   75    78    83    84   3.62500 -1.0 2.0
   75    78    85    86   0.84100 -1.0 2.0
   78    75    79    80   0.84100 -1.0 2.0
   83    61    64    65   3.62500 -1.0 2.0
   83    61   -64    71   3.62500 -1.0 2.0
   83    78    85    86   0.84100 -1.0 2.0
   85    78    83    61   3.62500 -1.0 2.0
   85    78    83    84   3.62500 -1.0 2.0
   79    75    78    83   3.62500 -1.0 2.0
   79    75    78    85   3.62500 -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
   41    60    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   51    52    48    45   4.00000 -1.0 2.0
   60    74    51    48   4.00000 -1.0 2.0
   51    62    60    38   4.00000 -1.0 2.0
   76    91    73    66   4.00000 -1.0 2.0
   81    77    76    73   1.10000 -1.0 2.0
   87    82    81    76   1.10000 -1.0 2.0
   88    89    87    81   4.00000 -1.0 2.0
   91    93    88    87   4.00000 -1.0 2.0
   88    92    91    73   1.10000 -1.0 2.0
   69    62    68    70  10.50000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    47    43    39  15.00000 -1.0 2.0
   55    49    54    56  10.50000 -1.0 2.0
   64    83    61    57   4.00000 -1.0 2.0
   71    65    64    61   1.10000 -1.0 2.0
   75    72    71    64   1.10000 -1.0 2.0
   78    79    75    71   4.00000 -1.0 2.0
   83    85    78    75   4.00000 -1.0 2.0
   78    84    83    61   1.10000 -1.0 2.0
END
