* LIGAND DATABASE FILE (OPLS2005)
*
001      88    92    166    271     491
    1     0 S   NP   _N1_     1    28.68165    95.33737   -20.20938
    2     1 S   H    _HN1     2     1.02833    37.76105   158.60703
    3     1 S   H    _H1_     3     1.02780    78.68138   -61.09681
    4     1 S   H    _H2_     4     1.02956    94.79598    46.64278
    5     1 S   CT   _CA1     5     1.50108   146.23042  -174.25318
    6     5 S   HC   _HA1     6     1.09569   105.29201    41.98913
    7     5 S   CO3  _C1_     7     1.53879   112.16596   -78.34991
    8     7 S   O2Z  _O11     8     1.26368   115.03171   -47.97890
    9     7 S   O2Z  _O12     9     1.26231   114.92081   131.12345
   10     5 S   CT   _CB1    10     1.53089   107.41145   159.94533
   11    10 S   HC   HB11    11     1.09817   109.56359   -49.50695
   12    10 S   HC   HB12    12     1.09827   110.37152    67.09929
   13    10 S   CT   _CG1    13     1.52989   112.55901  -170.59247
   14    13 S   HC   HG11    14     1.09431   110.42017   -56.80145
   15    13 S   HC   HG12    15     1.09625   110.18793    62.09257
   16    13 S   C    _CD1    16     1.51776   111.88991  -178.02821
   17    16 S   O    _OE1    17     1.22774   122.95878   -19.98396
   18    16 S   N    _N2_    18     1.38563   111.96453   161.36750
   19    18 S   H    _HN2    19     1.01593   119.10612     0.22294
   20    18 S   CT1  _CA2    20     1.46092   123.32654   179.15466
   21    20 S   HC   _HA2    21     1.09743   109.27238   -13.26332
   22    20 S   C    _C2_    22     1.53460   108.18110  -128.71286
   23    22 S   O    _O2_    23     1.23032   122.50095  -146.85093
   24    20 S   CT   _CB2    32     1.53518   112.02765   108.95876
   25    24 S   HC   HB21    33     1.09436   109.88549    56.36412
   26    24 S   HC   HB22    34     1.09213   108.74846   175.05502
   27    22 S   N    _N3_    24     1.38402   113.41384    40.58987
   28    27 S   H    _HN3    25     1.01652   119.52836    -3.60826
   29    24 S   S    _SG2    35     1.82774   111.87878   -65.59743
   30    27 S   CT   _CA3    26     1.45285   122.99983   176.93631
   31    30 S   HC   HA31    27     1.09555   107.54850   -62.98108
   32    30 S   HC   HA32    28     1.09562   107.89740    53.38682
   33    29 S   CT   _C22    36     1.89957   101.84291   175.73410
   34    30 S   CO3  _C3_    29     1.52904   114.22211   175.36798
   35    34 S   O2Z  _O31    30     1.26351   116.08582    -0.45413
   36    34 S   O2Z  _O32    31     1.26438   114.39756   179.59314
   37    33 S   CO4  _C17    37     1.55190   103.73378   170.63876
   38    37 S   O    _O27    38     1.22690   124.46140    97.15862
   39    33 S   NT   _N25    70     1.47419   108.22036   -67.97644
   40    37 S   CA   _C10    39     1.50506   118.06423   -79.36151
   41    39 S   CT1  _C21    71     1.45981   127.07178   -86.01044
   42    41 S   HC   _H40    72     1.09320   110.27208   -58.72921
   43    40 S   CA   _C9_    40     1.40420   120.13083    -5.99747
   44    41 S   CO4  _C18    73     1.53360   101.17332  -168.17563
   45    44 S   O    _O28    74     1.22082   126.82943  -167.20797
   46    41 S   CTE  _C27    76     1.54759   115.90781    69.56284
   47    46 S   HC   _H52    77     1.09616   108.09067   -53.74223
   48    43 S   CA   _C5_    41     1.39925   121.24827   177.04024
   49    48 S   HA   _H34    42     1.08700   121.06678  -179.74131
   50    43 S   CO4  _C16    50     1.47821   119.76028    -2.99467
   51    50 S   O    _O26    51     1.22231   119.15309   150.03533
   52    77 S   OS   _O29    75     1.41967   113.92694   173.46925
   53    46 S   CT   _C25    78     1.53569   112.90101    64.73690
   54    53 S   HC   _H47    79     1.09474   111.79679    69.44446
   55    53 S   HC   _H48    80     1.09168   112.03952   -51.71233
   56    53 S   HC   _H49    81     1.09460   110.12970  -171.48551
   57    46 S   CT   _C26    82     1.54718   113.93292  -170.82369
   58    57 S   HC   _H50    83     1.09490   111.03313   -62.97933
   59    57 S   HC   _H51    84     1.09788   108.54238  -179.17338
   60    48 S   CA   _C4_    43     1.39212   119.67799     0.97839
   61    60 S   HA   _H33    44     1.08636   120.05138   179.65057
   62    33 S   CT   _C19    52     1.58668   113.22872    57.22989
   63    62 S   HC   _H38    53     1.10493   108.17744   158.46842
   64    57 S   CT   _C24    85     1.52205   114.12234    60.90645
   65    64 S   HC   _H44    86     1.09434   111.10347    53.10208
   66    64 S   HC   _H45    87     1.09327   111.77359   -68.52006
   67    64 S   HC   _H46    88     1.09498   109.90498   172.42355
   68    60 S   CA   _C6_    45     1.39319   119.94882    -0.21670
   69    68 S   HA   _H35    46     1.08716   119.52697   180.00000
   70    62 S   CA   _C12    54     1.52797   114.48506   -88.98645
   71    40 S   CA   _C14    47     1.40350   121.71552   172.04806
   72    70 S   CA   _C11    55     1.41841   114.90051   -37.65863
   73    71 S   OH   _O30    48     1.36913   123.63630     1.85203
   74    73 S   HO   _H53    49     0.97380   108.90347    -0.13562
   75    72 S   CA   _C7_    56     1.40164   121.12165   179.23767
   76    75 S   HA   _H36    57     1.08737   120.26364  -178.78308
   77    72 S   CO   _C20    68     1.51011   116.28751    -5.02968
   78    77 S   HC   _H39    69     1.10017   107.50797   -69.35140
   79    75 S   CA   _C13    58     1.39551   120.37090     2.38097
   80    79 S   CA   _C8_    59     1.39696   118.90299     1.24898
   81    80 S   HA   _H37    60     1.08793   119.27426   177.82732
   82    79 S   CT   _C23    64     1.49896   120.56162  -177.97049
   83    82 S   HC   _H41    65     1.09434   109.94808    90.00123
   84    82 S   HC   _H42    66     1.09510   110.96186  -149.52232
   85    82 S   HC   _H43    67     1.09511   110.98834   -30.46467
   86    70 S   CA   _C15    61     1.39844   127.49295   148.73604
   87    86 S   OH   _O33    62     1.36527   120.81777     3.50090
   88    87 S   HO   _H54    63     0.97180   109.48272  -177.56699
  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  11   5   4   3
  20   2   1   1  14   5  18  12  18   8  12   9   3  14   8   9
   4   8   3   5   7   3   2   1   6   5   4   5   3   8   3   3
   2   1   1   4   2  11   2   9   1   1  11   4   3   1   8   8
   3   4   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    62    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    50    62    63    70    77    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    43    71    50    51    62    63    70    72    86    77    78    39    41    42    44    52    46  
   35    36  
   36  
    0  
   38    40    43    48    68    71    73    50    62    63    70    77    39    41  
   40    43    71    62    39  
   41    42    44    45    52    46    47    53    57    40    50    62    63    70    72    75    77    78  
   43    48    49    60    68    69    71    73    74    50    51    62  
   42    44    45    52    46    47    53    54    55    56    57    58    59    64    62    72    77    78  
   44    45    52    46    47    53    57    77  
   48    49    60    61    68    71    73    50    51    62    63    70  
   45    52    46    47    53    57    72    77    78  
   52    46    77  
   47    53    54    55    56    57    58    59    64    65    66    67    52    77  
   53    54    55    56    57    58    59    64  
   49    60    61    68    69    71    50    51    62  
   60    61    68    50  
   51    62    63    70    72    86    60    71  
   62    63    70  
   70    72    75    77    78  
   54    55    56    57    58    59    64  
   55    56    57  
   56    57  
   57  
   58    59    64    65    66    67  
   59    64    65    66    67  
   64    65    66    67  
   61    68    69    71    73  
   68    69    71  
   63    70    72    75    80    86    87    77  
   70    72    86  
   65    66    67  
   66    67  
   67  
    0  
   69    71    73    74  
   71    73  
   72    75    76    79    80    81    86    87    88    77    78  
   73    74  
   75    76    79    80    86    87    82    77    78  
   74  
    0  
   76    79    80    81    86    82    83    84    85    77    78  
   79    80    82    77  
   78    79    86  
    0  
   80    81    86    87    82    83    84    85  
   81    86    87    88    82    83    84    85  
   86    87    82  
   83    84    85    86  
   84    85  
   85  
    0  
   87    88  
   88  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   0.377500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.3000   0.1700  -0.455000   1.9050   1.6860   0.051222218  -2.220205820
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.0000   0.1700  -0.302500   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   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   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5000   0.0660   0.360000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.100000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   87   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   88   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    62   268.000  1.529
   33    39   382.000  1.448
   37    38   570.000  1.229
   37    40   310.000  1.470
   40    43   469.000  1.400
   40    71   469.000  1.400
   43    48   469.000  1.400
   43    50   310.000  1.470
   48    49   367.000  1.080
   48    60   469.000  1.400
   60    61   367.000  1.080
   60    68   469.000  1.400
   68    69   367.000  1.080
   68    71   469.000  1.400
   71    73   450.000  1.364
   73    74   553.000  0.945
   50    51   570.000  1.229
   50    62   317.000  1.522
   62    63   340.000  1.090
   62    70   317.000  1.510
   70    72   469.000  1.400
   70    86   469.000  1.400
   72    75   469.000  1.400
   72    77   270.000  1.504
   75    76   367.000  1.080
   75    79   469.000  1.400
   79    80   469.000  1.400
   79    82   317.000  1.510
   80    81   367.000  1.080
   80    86   469.000  1.400
   86    87   450.000  1.364
   87    88   553.000  0.945
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   77    78   340.000  1.090
   77    39   340.000  1.430
   77    52   320.000  1.380
   39    41   305.000  1.457
   41    42   340.000  1.090
   41    44   255.000  1.522
   41    46   268.000  1.529
   44    45   570.000  1.229
   44    52   214.000  1.327
   46    47   340.000  1.090
   46    53   268.000  1.529
   46    57   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    62    75.00000  111.63000
   29    33    39    85.00000  109.00000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  115.47100
   33    62    50    63.00000  111.10000
   33    62    63    37.50000  110.70000
   33    62    70    70.00000  112.17500
   33    39    77    80.00000  111.82000
   33    39    41    51.80000  107.20000
   37    40    43    60.00000  119.52600
   37    40    71    60.00000  119.52600
   40    37    38    75.00000  123.78400
   40    43    48    63.00000  120.00000
   40    43    50    60.00000  119.52600
   40    71    68    63.00000  120.00000
   40    71    73    70.00000  120.00000
   43    48    49    35.00000  120.00000
   43    48    60    63.00000  120.00000
   43    50    51    75.00000  123.78400
   43    50    62    65.00000  115.47100
   48    60    61    35.00000  120.00000
   48    60    68    63.00000  120.00000
   60    48    49    35.00000  120.00000
   60    68    69    35.00000  120.00000
   60    68    71    63.00000  120.00000
   68    60    61    35.00000  120.00000
   68    71    73    70.00000  120.00000
   71    40    43    63.00000  120.00000
   71    68    69    35.00000  120.00000
   71    73    74    35.00000  113.00000
   50    43    48    60.00000  119.52600
   50    62    63    35.00000  109.50000
   50    62    70    70.00000  110.93000
   62    33    37    63.00000  111.10000
   62    50    51    80.00000  120.40000
   62    70    72    70.00000  120.00000
   62    70    86    70.00000  120.00000
   70    62    63    35.00000  109.50000
   70    72    75    63.00000  120.00000
   70    72    77    60.00000  120.68000
   70    86    80    63.00000  120.00000
   70    86    87    70.00000  120.00000
   72    75    76    35.00000  120.00000
   72    75    79    63.00000  120.00000
   72    77    78    45.00000  112.15300
   72    77    39    75.00000  112.33000
   72    77    52    90.00000  107.97000
   75    79    80    63.00000  120.00000
   75    79    82    70.00000  120.00000
   79    75    76    35.00000  120.00000
   79    80    81    35.00000  120.00000
   79    80    86    63.00000  120.00000
   79    82    83    35.00000  109.50000
   79    82    84    35.00000  109.50000
   79    82    85    35.00000  109.50000
   80    86    87    70.00000  120.00000
   86    70    72    63.00000  120.00000
   86    80    81    35.00000  120.00000
   86    87    88    35.00000  113.00000
   82    79    80    70.00000  120.00000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   77    72    75    60.00000  120.68000
   77    39    41    80.00000  111.82000
   77    52    44    95.00000  111.08000
   39    33    37    75.00000  112.82000
   39    33    62    56.20000  109.47000
   39    77    78    50.00000  110.45300
   39    41    42    50.00000  109.55000
   39    41    44    75.00000  112.91400
   39    41    46    75.00000  111.58000
   41    44    45    75.00000  123.42600
   41    44    52    90.00000  109.72300
   41    46    47    37.50000  110.70000
   41    46    53    58.35000  112.70000
   41    46    57    58.35000  112.70000
   44    41    42    45.00000  110.09800
   52    77    78    35.00000  109.50000
   52    77    39   100.00000  112.06800
   52    44    45    83.00000  123.40000
   46    41    42    37.50000  110.70000
   46    41    44    63.00000  111.10000
   46    53    54    37.50000  110.70000
   46    53    55    37.50000  110.70000
   46    53    56    37.50000  110.70000
   46    57    58    37.50000  110.70000
   46    57    59    37.50000  110.70000
   46    57    64    58.35000  112.70000
   53    46    47    37.50000  110.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   57    46    47    37.50000  110.70000
   57    46    53    58.35000  112.70000
   57    64    65    37.50000  110.70000
   57    64    66    37.50000  110.70000
   57    64    67    37.50000  110.70000
   59    57    58    33.00000  107.80000
   64    57    58    37.50000  110.70000
   64    57    59    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    62   0.01700  1.0 1.0
   24    29    33    62  -0.23550 -1.0 2.0
   24    29    33    62   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    37    38   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    62    50   0.56750  1.0 1.0
   29    33    62    50  -0.07550 -1.0 2.0
   29    33    62    50   0.20000  1.0 3.0
   29    33    62    63   0.15000  1.0 3.0
   29    33    62    70   0.56750  1.0 1.0
   29    33    62    70  -0.07550 -1.0 2.0
   29    33    62    70   0.20000  1.0 3.0
   29    33    39    77   0.23200  1.0 1.0
   29    33    39    77   0.02100 -1.0 2.0
   29    33    39    77   0.24950  1.0 3.0
   29    33    39    41   0.23200  1.0 1.0
   29    33    39    41   0.02100 -1.0 2.0
   29    33    39    41   0.24950  1.0 3.0
   33    37    40    43   2.26350  1.0 1.0
   33    37    40    43   0.76750 -1.0 2.0
   33    37    40    43   0.22500  1.0 3.0
   33    37    40    71   2.26350  1.0 1.0
   33    37    40    71   0.76750 -1.0 2.0
   33    37    40    71   0.22500  1.0 3.0
   33    62    70    72   0.04150 -1.0 2.0
   33    62    70    86   0.04150 -1.0 2.0
   33    39    41    42   0.28000  1.0 3.0
   33    39    41    44  -1.76800  1.0 1.0
   33    39    41    44   1.02600 -1.0 2.0
   33    39    41    44   0.19700  1.0 3.0
   33    39    41    46   0.23450  1.0 1.0
   33    39    41    46   0.02050 -1.0 2.0
   33    39    41    46   0.25250  1.0 3.0
   37    33    62    50   0.11950  1.0 1.0
   37    33    62    50   0.20300 -1.0 2.0
   37    33    62    50  -0.70800  1.0 3.0
   37    33    62    63  -0.11250  1.0 3.0
   37    33    62    70   0.56750  1.0 1.0
   37    33    62    70  -0.07550 -1.0 2.0
   37    33    62    70   0.20000  1.0 3.0
   37    33    39    77  -1.76800  1.0 1.0
   37    33    39    77   1.02600 -1.0 2.0
   37    33    39    77   0.19700  1.0 3.0
   37    33    39    41  -1.76800  1.0 1.0
   37    33    39    41   1.02600 -1.0 2.0
   37    33    39    41   0.19700  1.0 3.0
   37    40    43    48   3.62500 -1.0 2.0
   37    40   -43    50   3.62500 -1.0 2.0
   37    40    71    68   3.62500 -1.0 2.0
   37    40    71    73   3.62500 -1.0 2.0
   38    37    40    43   1.05000 -1.0 2.0
   38    37    40    71   1.05000 -1.0 2.0
   40    43    48    49   3.62500 -1.0 2.0
   40    43    48    60   3.62500 -1.0 2.0
   40    43    50    51   1.05000 -1.0 2.0
   40    43    50    62   2.26350  1.0 1.0
   40    43    50    62   0.76750 -1.0 2.0
   40    43    50    62   0.22500  1.0 3.0
   40    71    73    74   0.84100 -1.0 2.0
   43    40    71    68   3.62500 -1.0 2.0
   43    40    71    73   3.62500 -1.0 2.0
   43    48    60    61   3.62500 -1.0 2.0
   43    48   -60    68   3.62500 -1.0 2.0
   43    50   -62    33   0.05850 -1.0 2.0
   43    50   -62    33   0.17250  1.0 3.0
   43    50    62    63   0.00000  1.0 1.0
   43    50    62    70   0.65300  1.0 1.0
   43    50    62    70  -0.03850 -1.0 2.0
   43    50    62    70   0.33900  1.0 3.0
   48    43    50    51   1.05000 -1.0 2.0
   48    43    50    62   2.26350  1.0 1.0
   48    43    50    62   0.76750 -1.0 2.0
   48    43    50    62   0.22500  1.0 3.0
   48    60    68    69   3.62500 -1.0 2.0
   48    60    68    71   3.62500 -1.0 2.0
   49    48    60    61   3.62500 -1.0 2.0
   49    48    60    68   3.62500 -1.0 2.0
   60    68   -71    40   3.62500 -1.0 2.0
   60    68    71    73   3.62500 -1.0 2.0
   61    60    68    69   3.62500 -1.0 2.0
   61    60    68    71   3.62500 -1.0 2.0
   68    71    73    74   0.84100 -1.0 2.0
   69    68    71    40   3.62500 -1.0 2.0
   69    68    71    73   3.62500 -1.0 2.0
   71    40   -43    48   3.62500 -1.0 2.0
   71    40    43    50   3.62500 -1.0 2.0
   50    43    48    49   3.62500 -1.0 2.0
   50    43    48    60   3.62500 -1.0 2.0
   50    62    70    72   0.04300 -1.0 2.0
   50    62    70    86   0.04300 -1.0 2.0
   51    50    62    33   0.30150 -1.0 2.0
   51    50    62    63   0.00000  1.0 1.0
   51    50    62    70   0.30150 -1.0 2.0
   62    33    37    38   0.30150 -1.0 2.0
   62    33   -37    40   0.05850 -1.0 2.0
   62    33   -37    40   0.17250  1.0 3.0
   62    33    39    77   0.23450  1.0 1.0
   62    33    39    77   0.02050 -1.0 2.0
   62    33    39    77   0.25250  1.0 3.0
   62    33    39    41   0.23450  1.0 1.0
   62    33    39    41   0.02050 -1.0 2.0
   62    33    39    41   0.25250  1.0 3.0
   62    70    72    75   3.62500 -1.0 2.0
   62    70   -72    77   3.62500 -1.0 2.0
   62    70    86    80   3.62500 -1.0 2.0
   62    70    86    87   3.62500 -1.0 2.0
   63    62    70    72   0.00000  1.0 1.0
   63    62    70    86   0.00000  1.0 1.0
   70    72    75    76   3.62500 -1.0 2.0
   70    72    75    79   3.62500 -1.0 2.0
   70    72    77    78   0.00000  1.0 1.0
   70    72    77    39   0.18550 -1.0 2.0
   70    72    77    39   0.14000  1.0 3.0
   70    72    77    52   0.64500  1.0 1.0
   70    72    77    52   0.14800 -1.0 2.0
   70    72    77    52   0.20650  1.0 3.0
   70    86    87    88   0.84100 -1.0 2.0
   72    70    86    80   3.62500 -1.0 2.0
   72    70    86    87   3.62500 -1.0 2.0
   72    75   -79    80   3.62500 -1.0 2.0
   72    75    79    82   3.62500 -1.0 2.0
   72    77   -39    33   0.82600  1.0 1.0
   72    77   -39    33  -0.32100 -1.0 2.0
   72    77   -39    33   1.02000  1.0 3.0
   72    77    39    41   0.82600  1.0 1.0
   72    77    39    41  -0.32100 -1.0 2.0
   72    77    39    41   1.02000  1.0 3.0
   72    77    52    44  -0.43900 -1.0 2.0
   72    77    52    44   0.14100  1.0 3.0
   75    72    77    78   0.00000  1.0 1.0
   75    72    77    39   0.18550 -1.0 2.0
   75    72    77    39   0.14000  1.0 3.0
   75    72    77    52   0.64500  1.0 1.0
   75    72    77    52   0.14800 -1.0 2.0
   75    72    77    52   0.20650  1.0 3.0
   75    79    80    81   3.62500 -1.0 2.0
   75    79    80    86   3.62500 -1.0 2.0
   75    79    82    83   0.00000  1.0 1.0
   75    79    82    84   0.00000  1.0 1.0
   75    79    82    85   0.00000  1.0 1.0
   76    75    79    80   3.62500 -1.0 2.0
   76    75    79    82   3.62500 -1.0 2.0
   79    80   -86    70   3.62500 -1.0 2.0
   79    80    86    87   3.62500 -1.0 2.0
   80    79    82    83   0.00000  1.0 1.0
   80    79    82    84   0.00000  1.0 1.0
   80    79    82    85   0.00000  1.0 1.0
   80    86    87    88   0.84100 -1.0 2.0
   81    80    86    70   3.62500 -1.0 2.0
   81    80    86    87   3.62500 -1.0 2.0
   86    70   -72    75   3.62500 -1.0 2.0
   86    70    72    77   3.62500 -1.0 2.0
   82    79    80    81   3.62500 -1.0 2.0
   82    79    80    86   3.62500 -1.0 2.0
   77    72    75    76   3.62500 -1.0 2.0
   77    72    75    79   3.62500 -1.0 2.0
   77    39    41    42   0.10550  1.0 3.0
   77    39   -41    44  -1.76800  1.0 1.0
   77    39   -41    44   1.02600 -1.0 2.0
   77    39   -41    44   0.19700  1.0 3.0
   77    39    41    46   0.23450  1.0 1.0
   77    39    41    46   0.02050 -1.0 2.0
   77    39    41    46   0.25250  1.0 3.0
   78    77    39    33   0.28000  1.0 3.0
   78    77    39    41   0.28000  1.0 3.0
   78    77    52    44   0.08050  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    62    50  -3.56550  1.0 1.0
   39    33    62    50  -0.67500 -1.0 2.0
   39    33    62    50   1.11300  1.0 3.0
   39    33    62    63   0.15000  1.0 3.0
   39    33   -62    70   0.83750  1.0 1.0
   39    33   -62    70   0.32200 -1.0 2.0
   39    33   -62    70   0.70600  1.0 3.0
   39    77   -52    44  -0.24150  1.0 1.0
   39    77   -52    44  -0.46200 -1.0 2.0
   39    77   -52    44   0.11700  1.0 3.0
   39    41    44    45   0.30150 -1.0 2.0
   39    41   -44    52   0.40000  1.0 3.0
   39    41    46    47   0.15000  1.0 3.0
   39    41    46    53   1.53400  1.0 1.0
   39    41    46    53  -0.09950 -1.0 2.0
   39    41    46    53   0.05700  1.0 3.0
   39    41    46    57   1.53400  1.0 1.0
   39    41    46    57  -0.09950 -1.0 2.0
   39    41    46    57   0.05700  1.0 3.0
   41    44   -52    77   1.63150  1.0 1.0
   41    44   -52    77   2.92000 -1.0 2.0
   41    46    53    54   0.15000  1.0 3.0
   41    46    53    55   0.15000  1.0 3.0
   41    46    53    56   0.15000  1.0 3.0
   41    46    57    58   0.15000  1.0 3.0
   41    46    57    59   0.15000  1.0 3.0
   41    46    57    64   0.65000  1.0 1.0
   41    46    57    64  -0.02500 -1.0 2.0
   41    46    57    64   0.10000  1.0 3.0
   42    41    44    45   0.00000  1.0 1.0
   42    41    44    52   0.00000  1.0 1.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    53   0.15000  1.0 3.0
   42    41    46    57   0.15000  1.0 3.0
   44    41    46    47  -0.03800  1.0 3.0
   44    41    46    53   0.33900  1.0 1.0
   44    41    46    53   0.63800 -1.0 2.0
   44    41    46    57   0.33900  1.0 1.0
   44    41    46    57   0.63800 -1.0 2.0
   45    44    52    77   3.00000 -1.0 2.0
   52    77    39    33   1.00600  1.0 1.0
   52    77    39    33  -1.41450 -1.0 2.0
   52    77    39    33   0.25150  1.0 3.0
   52    77   -39    41   1.00600  1.0 1.0
   52    77   -39    41  -1.41450 -1.0 2.0
   52    77   -39    41   0.25150  1.0 3.0
   46    41    44    45   0.00000  1.0 1.0
   46    41    44    52   0.36750  1.0 3.0
   46    57    64    65   0.15000  1.0 3.0
   46    57    64    66   0.15000  1.0 3.0
   46    57    64    67   0.15000  1.0 3.0
   47    46    53    54   0.15000  1.0 3.0
   47    46    53    55   0.15000  1.0 3.0
   47    46    53    56   0.15000  1.0 3.0
   47    46    57    58   0.15000  1.0 3.0
   47    46    57    59   0.15000  1.0 3.0
   47    46    57    64   0.15000  1.0 3.0
   53    46    57    58   0.15000  1.0 3.0
   53    46    57    59   0.15000  1.0 3.0
   53    46    57    64   0.65000  1.0 1.0
   53    46    57    64  -0.02500 -1.0 2.0
   53    46    57    64   0.10000  1.0 3.0
   57    46    53    54   0.15000  1.0 3.0
   57    46    53    55   0.15000  1.0 3.0
   57    46    53    56   0.15000  1.0 3.0
   58    57    64    65   0.15000  1.0 3.0
   58    57    64    66   0.15000  1.0 3.0
   58    57    64    67   0.15000  1.0 3.0
   59    57    64    65   0.15000  1.0 3.0
   59    57    64    66   0.15000  1.0 3.0
   59    57    64    67   0.15000  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    40    37    38  10.50000 -1.0 2.0
   43    71    40    37   4.00000 -1.0 2.0
   48    50    43    40   4.00000 -1.0 2.0
   60    49    48    43   1.10000 -1.0 2.0
   68    61    60    48   1.10000 -1.0 2.0
   71    69    68    60   1.10000 -1.0 2.0
   68    73    71    40   4.00000 -1.0 2.0
   43    62    50    51  10.50000 -1.0 2.0
   72    86    70    62   4.00000 -1.0 2.0
   75    77    72    70   4.00000 -1.0 2.0
   79    76    75    72   1.10000 -1.0 2.0
   80    82    79    75   4.00000 -1.0 2.0
   86    81    80    79   1.10000 -1.0 2.0
   80    87    86    70   4.00000 -1.0 2.0
   41    52    44    45  10.50000 -1.0 2.0
END
