* LIGAND DATABASE FILE (OPLS2005)
*
001      87    91    163    265     480
    1     0 S   NP   _N1_     1    28.82186    98.10536   -22.28918
    2     1 S   H    _HN1     2     1.02948    63.30125     9.04813
    3     1 S   H    _H1_     3     1.02827    49.46476   158.74271
    4     1 S   H    _H2_     4     1.02794   100.25116   -96.43692
    5     1 S   CT   _CA1     5     1.50093   146.84487    95.87861
    6     5 S   HC   _HA1     6     1.09581   105.17787   105.54886
    7     5 S   CO3  _C1_     7     1.53767   112.48119   -14.58014
    8     7 S   O2Z  _O11     8     1.26357   115.04028   -44.17372
    9     7 S   O2Z  _O12     9     1.26248   114.92599   134.91194
   10     5 S   CT   _CB1    10     1.53070   107.40096  -136.62624
   11    10 S   HC   HB11    11     1.09831   109.30419   -51.11013
   12    10 S   HC   HB12    12     1.09811   110.49105    65.50244
   13    10 S   CT   _CG1    13     1.52939   112.54307  -172.13788
   14    13 S   HC   HG11    14     1.09452   110.37209   -67.68113
   15    13 S   HC   HG12    15     1.09662   109.85377    51.53474
   16    13 S   C    _CD1    16     1.51724   112.26296   172.30550
   17    16 S   O    _OE1    17     1.22740   123.23538    10.68970
   18    16 S   N    _N2_    18     1.38605   111.73627  -169.37584
   19    18 S   H    _HN2    19     1.01646   119.09044     0.56163
   20    18 S   CT1  _CA2    20     1.46221   123.49420   177.41086
   21    20 S   HC   _HA2    21     1.09726   109.27733     8.85184
   22    20 S   C    _C2_    22     1.53667   109.29818  -106.96845
   23    22 S   O    _O2_    23     1.23101   122.09050  -151.70977
   24    20 S   CT   _CB2    32     1.53311   111.17906   130.78913
   25    24 S   HC   HB21    33     1.09418   109.28721    57.78322
   26    24 S   HC   HB22    34     1.09483   110.39506   176.22415
   27    22 S   N    _N3_    24     1.38262   114.03897    35.78355
   28    27 S   H    _HN3    25     1.01531   119.60490    -3.51079
   29    24 S   S    _SG2    35     1.83193   111.10285   -64.25815
   30    27 S   CT   _CA3    26     1.45275   123.30127   177.22505
   31    30 S   HC   HA31    27     1.09546   107.51805   -64.74590
   32    30 S   HC   HA32    28     1.09555   107.99636    51.71823
   33    29 S   CT   _C22    36     1.89280   100.80397   159.28100
   34    30 S   CO3  _C3_    29     1.52978   114.02833   173.70583
   35    34 S   O2Z  _O31    30     1.26386   116.07387    -0.53413
   36    34 S   O2Z  _O32    31     1.26425   114.41984   179.52978
   37    33 S   CM   _C16    37     1.52089   109.14622   -63.79648
   38    33 S   CO4  _C18    84     1.53120   105.76342    58.31254
   39    38 S   O    _O27    85     1.23208   122.32520    45.85292
   40    37 S   CA   _C11    38     1.49900   110.45163   -58.92737
   41    37 S   CMA  _C17    73     1.36493   127.32224   130.53117
   42    41 S   OM   _O26    74     1.27058   126.57354   172.92033
   43    40 S   CA   _C12    39     1.40812   115.68879   -43.21284
   44    41 S   CA   _C9_    75     1.51929   114.76278    -3.64749
   45    43 S   CA   _C7_    40     1.40610   119.47799  -177.67603
   46    45 S   HA   _H36    41     1.08834   119.75042   178.01062
   47    43 S   CO   _C20    52     1.51844   120.08272     1.19583
   48    47 S   HC   _H38    53     1.09782   105.87032  -101.78613
   49    44 S   CA   _C5_    76     1.41978   119.26443   176.72093
   50    49 S   HA   _H34    77     1.08905   120.95125     0.32082
   51    45 S   CA   _C13    42     1.39944   121.11395    -2.64205
   52    33 S   NT   _N25    54     1.48728   114.33457   175.73189
   53    49 S   CA   _C4_    78     1.39623   122.59710  -179.53438
   54    53 S   HA   _H33    79     1.08595   120.00427   179.89347
   55    51 S   CA   _C8_    43     1.39664   119.03957    -1.80038
   56    55 S   HA   _H37    44     1.08741   119.59227  -176.30477
   57    51 S   CT   _C23    48     1.49922   120.29303  -177.84996
   58    57 S   HC   _H40    49     1.09414   109.99160    83.10597
   59    57 S   HC   _H41    50     1.09502   111.09311  -156.37918
   60    57 S   HC   _H42    51     1.09507   110.72650   -37.35503
   61    52 S   CT1  _C21    55     1.46699   117.93242   -52.75839
   62    61 S   HC   _H39    56     1.09465   112.09113     7.89173
   63    53 S   CA   _C6_    80     1.38341   119.68816    -0.00000
   64    63 S   HA   _H35    81     1.08620   119.97091   179.86583
   65    40 S   CA   _C15    45     1.40354   125.32690   132.36874
   66    61 S   CO4  _C19    57     1.51379   104.34159   121.84996
   67    66 S   O    _O28    58     1.22184   125.79244  -175.79323
   68    61 S   CTE  _C27    60     1.55236   111.51086  -115.19320
   69    68 S   HC   _H51    61     1.09892   107.10009    56.86813
   70    63 S   CA   _C14    82     1.39159   119.35711    -0.20558
   71    65 S   OH   _O33    46     1.37049   120.17471    -4.75905
   72    71 S   HO   _H53    47     0.97179   108.76926   172.01633
   73    47 S   OS   _O29    59     1.42599   110.07228   143.44390
   74    68 S   CT   _C25    62     1.53514   110.60499   172.11728
   75    74 S   HC   _H46    63     1.09420   111.77337    74.68536
   76    74 S   HC   _H47    64     1.09524   111.00858   -46.35099
   77    74 S   HC   _H48    65     1.09478   110.96374  -165.03096
   78    68 S   CT   _C26    66     1.54489   113.66713   -61.28252
   79    78 S   HC   _H49    67     1.09555   109.57964    55.53381
   80    78 S   HC   _H50    68     1.09619   110.38408   -62.04675
   81    44 S   CA   _C10    83     1.40336   124.05558    -3.04568
   82    70 S   OH   _O30    86     1.37134   114.97118   179.78694
   83    82 S   HO   _H52    87     0.97341   108.83656   177.68320
   84    78 S   CT   _C24    69     1.52360   113.66996   175.54148
   85    84 S   HC   _H43    70     1.09383   111.58675    67.48127
   86    84 S   HC   _H44    71     1.09450   111.06662   -53.90580
   87    84 S   HC   _H45    72     1.09491   109.97069  -173.40239
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  19   2   1   1  16  12   4  16  10   3  13   8  13   4  10   4
   7   4   8  10   6   3   8   3   4   2   1   1  14   7   5   3
   2   6   2  13   8   3   1   1   1   7   3   2   1   6   5   4
   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    47    52    61    41    81    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    43    65    47    48    52    61    62    66    73    68    41    42    44    70    81    38    39  
   35    36  
   36  
    0  
   40    43    45    55    65    71    47    52    61    41    42    44    49    81    38    39  
   39    82    40    41    44    47    49    52    61    63    70    81  
   44    52    70    81  
   43    45    46    51    55    56    65    71    72    47    48    52    73    41    42    44  
   42    44    49    50    53    70    81    43    52    65  
   44    49    81  
   45    46    51    55    65    71    57    47    48    52    61    66    73  
   49    50    53    54    63    70    81    82  
   46    51    55    56    65    57    58    59    60    47    48    52    73  
   51    55    57    47  
   48    52    61    62    66    67    73    68    51    65  
   52    61    66    73  
   50    53    54    63    64    70    81  
   53    54    63    81  
   55    56    65    71    57    58    59    60  
   61    62    66    67    73    68    69    74    78    81  
   54    63    64    70    81    82  
   63    64    70  
   56    65    71    72    57    58    59    60  
   65    71    57  
   58    59    60    65  
   59    60  
   60  
    0  
   62    66    67    73    68    69    74    75    76    77    78    79    80    84  
   66    67    73    68    69    74    78  
   64    70    81    82    83  
   70    81    82  
   71    72  
   67    73    68    69    74    78  
   73    68  
   69    74    75    76    77    78    79    80    84    85    86    87    73  
   74    75    76    77    78    79    80    84  
   81    82    83  
   72  
    0  
    0  
   75    76    77    78    79    80    84  
   76    77    78  
   77    78  
   78  
   79    80    84    85    86    87  
   80    84    85    86    87  
   84    85    86    87  
   82    83  
   83  
    0  
   85    86    87  
   86    87  
   87  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5000   0.0660   0.360000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.100000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.3000   0.1700  -0.455000   1.9050   1.6860   0.051222218  -2.220205820
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660  -0.065000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.0000   0.1700  -0.302500   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   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    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  1.510
   33    52   382.000  1.448
   33    38   317.000  1.522
   37    40   320.000  1.460
   37    41   465.000  1.376
   40    43   469.000  1.400
   40    65   469.000  1.400
   43    45   469.000  1.400
   43    47   270.000  1.504
   45    46   367.000  1.080
   45    51   469.000  1.400
   51    55   469.000  1.400
   51    57   317.000  1.510
   55    56   367.000  1.080
   55    65   469.000  1.400
   65    71   450.000  1.364
   71    72   553.000  0.945
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   47    48   340.000  1.090
   47    52   340.000  1.430
   47    73   320.000  1.380
   52    61   305.000  1.457
   61    62   340.000  1.090
   61    66   255.000  1.522
   61    68   268.000  1.529
   66    67   570.000  1.229
   66    73   214.000  1.327
   68    69   340.000  1.090
   68    74   268.000  1.529
   68    78   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   41    42   745.000  1.250
   41    44   320.000  1.460
   44    49   469.000  1.400
   44    81   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    54   367.000  1.080
   53    63   469.000  1.400
   63    64   367.000  1.080
   63    70   469.000  1.400
   70    81   469.000  1.400
   70    82   450.000  1.364
   81    38   310.000  1.470
   38    39   570.000  1.229
   82    83   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    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  112.20000
   29    33    52    85.00000  109.00000
   29    33    38    75.00000  110.18000
   33    37    40    65.00000  118.87000
   33    37    41    70.00000  124.00000
   33    52    47    80.00000  111.82000
   33    52    61    51.80000  107.20000
   33    38    81    65.00000  115.47100
   33    38    39    80.00000  120.40000
   37    40    43    60.00000  120.93500
   37    40    65    60.00000  120.93500
   37    41    42    65.00000  137.10300
   37    41    44    60.00000  123.20500
   40    43    45    63.00000  120.00000
   40    43    47    60.00000  120.68000
   40    65    55    63.00000  120.00000
   40    65    71    70.00000  120.00000
   43    45    46    35.00000  120.00000
   43    45    51    63.00000  120.00000
   43    47    48    45.00000  112.15300
   43    47    52    75.00000  112.33000
   43    47    73    90.00000  107.97000
   45    51    55    63.00000  120.00000
   45    51    57    70.00000  120.00000
   51    45    46    35.00000  120.00000
   51    55    56    35.00000  120.00000
   51    55    65    63.00000  120.00000
   51    57    58    35.00000  109.50000
   51    57    59    35.00000  109.50000
   51    57    60    35.00000  109.50000
   55    65    71    70.00000  120.00000
   65    40    43    63.00000  120.00000
   65    55    56    35.00000  120.00000
   65    71    72    35.00000  113.00000
   57    51    55    70.00000  120.00000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   47    43    45    60.00000  120.68000
   47    52    61    80.00000  111.82000
   47    73    66    95.00000  111.08000
   52    33    37    75.00000  110.70900
   52    47    48    50.00000  110.45300
   52    61    62    50.00000  109.55000
   52    61    66    75.00000  112.91400
   52    61    68    75.00000  111.58000
   61    66    67    75.00000  123.42600
   61    66    73    90.00000  109.72300
   61    68    69    37.50000  110.70000
   61    68    74    58.35000  112.70000
   61    68    78    58.35000  112.70000
   66    61    62    45.00000  110.09800
   73    47    48    35.00000  109.50000
   73    47    52   100.00000  112.06800
   73    66    67    83.00000  123.40000
   68    61    62    37.50000  110.70000
   68    61    66    63.00000  111.10000
   68    74    75    37.50000  110.70000
   68    74    76    37.50000  110.70000
   68    74    77    37.50000  110.70000
   68    78    79    37.50000  110.70000
   68    78    80    37.50000  110.70000
   68    78    84    58.35000  112.70000
   74    68    69    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    68    69    37.50000  110.70000
   78    68    74    58.35000  112.70000
   78    84    85    37.50000  110.70000
   78    84    86    37.50000  110.70000
   78    84    87    37.50000  110.70000
   80    78    79    33.00000  107.80000
   84    78    79    37.50000  110.70000
   84    78    80    37.50000  110.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   41    37    40    60.00000  123.20500
   41    44    49    60.00000  120.93500
   41    44    81    60.00000  120.93500
   44    41    42    85.00000  114.86500
   44    49    50    35.00000  120.00000
   44    49    53    63.00000  120.00000
   44    81    70    63.00000  120.00000
   44    81    38    60.00000  119.52600
   49    53    54    35.00000  120.00000
   49    53    63    63.00000  120.00000
   53    49    50    35.00000  120.00000
   53    63    64    35.00000  120.00000
   53    63    70    63.00000  120.00000
   63    53    54    35.00000  120.00000
   63    70    81    63.00000  120.00000
   63    70    82    70.00000  120.00000
   70    63    64    35.00000  120.00000
   70    81    38    60.00000  119.52600
   70    82    83    35.00000  113.00000
   81    44    49    63.00000  120.00000
   81    38    39    75.00000  123.78400
   38    33    37    70.00000  109.06800
   38    33    52    75.00000  112.82000
   82    70    81    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    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.09700  1.0 1.0
   29    33    37    40   0.15600 -1.0 2.0
   29    33    37    40  -0.50800  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    52    47   0.23200  1.0 1.0
   29    33    52    47   0.02100 -1.0 2.0
   29    33    52    47   0.24950  1.0 3.0
   29    33    52    61   0.23200  1.0 1.0
   29    33    52    61   0.02100 -1.0 2.0
   29    33    52    61   0.24950  1.0 3.0
   29    33    38    81   0.65300  1.0 1.0
   29    33    38    81  -0.03850 -1.0 2.0
   29    33    38    81   0.33900  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   33    37    40    43  -0.02500  1.0 1.0
   33    37    40    43  -0.32150 -1.0 2.0
   33    37    40    43  -0.01500  1.0 3.0
   33    37    40    65  -0.02500  1.0 1.0
   33    37    40    65  -0.32150 -1.0 2.0
   33    37    40    65  -0.01500  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    44   7.00000 -1.0 2.0
   33    52    61    62   0.28000  1.0 3.0
   33    52    61    66  -1.76800  1.0 1.0
   33    52    61    66   1.02600 -1.0 2.0
   33    52    61    66   0.19700  1.0 3.0
   33    52    61    68   0.23450  1.0 1.0
   33    52    61    68   0.02050 -1.0 2.0
   33    52    61    68   0.25250  1.0 3.0
   37    33    52    47  -0.60800  1.0 1.0
   37    33    52    47   1.10050 -1.0 2.0
   37    33    52    47   0.47000  1.0 3.0
   37    33    52    61  -0.60800  1.0 1.0
   37    33    52    61   1.10050 -1.0 2.0
   37    33    52    61   0.47000  1.0 3.0
   37    33    38    81   0.65300  1.0 1.0
   37    33    38    81  -0.03850 -1.0 2.0
   37    33    38    81   0.33900  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    40    43    45   3.62500 -1.0 2.0
   37    40   -43    47   3.62500 -1.0 2.0
   37    40    65    55   3.62500 -1.0 2.0
   37    40    65    71   3.62500 -1.0 2.0
   37    41    44    49   0.15800  1.0 1.0
   37    41    44    49   1.85350 -1.0 2.0
   37    41    44    49  -0.48700  1.0 3.0
   37    41   -44    81   0.15800  1.0 1.0
   37    41   -44    81   1.85350 -1.0 2.0
   37    41   -44    81  -0.48700  1.0 3.0
   40    37    41    42   7.00000 -1.0 2.0
   40    37    41    44   7.00000 -1.0 2.0
   40    43    45    46   3.62500 -1.0 2.0
   40    43    45    51   3.62500 -1.0 2.0
   40    43    47    48   0.00000  1.0 1.0
   40    43    47    52   0.18550 -1.0 2.0
   40    43    47    52   0.14000  1.0 3.0
   40    43    47    73   0.64500  1.0 1.0
   40    43    47    73   0.14800 -1.0 2.0
   40    43    47    73   0.20650  1.0 3.0
   40    65    71    72   0.84100 -1.0 2.0
   43    40    65    55   3.62500 -1.0 2.0
   43    40    65    71   3.62500 -1.0 2.0
   43    45   -51    55   3.62500 -1.0 2.0
   43    45    51    57   3.62500 -1.0 2.0
   43    47   -52    33   0.82600  1.0 1.0
   43    47   -52    33  -0.32100 -1.0 2.0
   43    47   -52    33   1.02000  1.0 3.0
   43    47    52    61   0.82600  1.0 1.0
   43    47    52    61  -0.32100 -1.0 2.0
   43    47    52    61   1.02000  1.0 3.0
   43    47    73    66  -0.43900 -1.0 2.0
   43    47    73    66   0.14100  1.0 3.0
   45    43    47    48   0.00000  1.0 1.0
   45    43    47    52   0.18550 -1.0 2.0
   45    43    47    52   0.14000  1.0 3.0
   45    43    47    73   0.64500  1.0 1.0
   45    43    47    73   0.14800 -1.0 2.0
   45    43    47    73   0.20650  1.0 3.0
   45    51    55    56   3.62500 -1.0 2.0
   45    51    55    65   3.62500 -1.0 2.0
   45    51    57    58   0.00000  1.0 1.0
   45    51    57    59   0.00000  1.0 1.0
   45    51    57    60   0.00000  1.0 1.0
   46    45    51    55   3.62500 -1.0 2.0
   46    45    51    57   3.62500 -1.0 2.0
   51    55   -65    40   3.62500 -1.0 2.0
   51    55    65    71   3.62500 -1.0 2.0
   55    51    57    58   0.00000  1.0 1.0
   55    51    57    59   0.00000  1.0 1.0
   55    51    57    60   0.00000  1.0 1.0
   55    65    71    72   0.84100 -1.0 2.0
   56    55    65    40   3.62500 -1.0 2.0
   56    55    65    71   3.62500 -1.0 2.0
   65    40   -43    45   3.62500 -1.0 2.0
   65    40    43    47   3.62500 -1.0 2.0
   57    51    55    56   3.62500 -1.0 2.0
   57    51    55    65   3.62500 -1.0 2.0
   47    43    45    46   3.62500 -1.0 2.0
   47    43    45    51   3.62500 -1.0 2.0
   47    52    61    62   0.10550  1.0 3.0
   47    52   -61    66  -1.76800  1.0 1.0
   47    52   -61    66   1.02600 -1.0 2.0
   47    52   -61    66   0.19700  1.0 3.0
   47    52    61    68   0.23450  1.0 1.0
   47    52    61    68   0.02050 -1.0 2.0
   47    52    61    68   0.25250  1.0 3.0
   48    47    52    33   0.28000  1.0 3.0
   48    47    52    61   0.28000  1.0 3.0
   48    47    73    66   0.08050  1.0 3.0
   52    33   -37    40   0.09700  1.0 1.0
   52    33   -37    40   0.15600 -1.0 2.0
   52    33   -37    40  -0.50800  1.0 3.0
   52    33    37    41   0.90200  1.0 1.0
   52    33    37    41   0.57900 -1.0 2.0
   52    33    37    41  -0.62100  1.0 3.0
   52    33    38    81   0.65300  1.0 1.0
   52    33    38    81  -0.03850 -1.0 2.0
   52    33    38    81   0.33900  1.0 3.0
   52    33    38    39   0.30150 -1.0 2.0
   52    47   -73    66  -0.24150  1.0 1.0
   52    47   -73    66  -0.46200 -1.0 2.0
   52    47   -73    66   0.11700  1.0 3.0
   52    61    66    67   0.30150 -1.0 2.0
   52    61   -66    73   0.40000  1.0 3.0
   52    61    68    69   0.15000  1.0 3.0
   52    61    68    74   1.53400  1.0 1.0
   52    61    68    74  -0.09950 -1.0 2.0
   52    61    68    74   0.05700  1.0 3.0
   52    61    68    78   1.53400  1.0 1.0
   52    61    68    78  -0.09950 -1.0 2.0
   52    61    68    78   0.05700  1.0 3.0
   61    66   -73    47   1.63150  1.0 1.0
   61    66   -73    47   2.92000 -1.0 2.0
   61    68    74    75   0.15000  1.0 3.0
   61    68    74    76   0.15000  1.0 3.0
   61    68    74    77   0.15000  1.0 3.0
   61    68    78    79   0.15000  1.0 3.0
   61    68    78    80   0.15000  1.0 3.0
   61    68    78    84   0.65000  1.0 1.0
   61    68    78    84  -0.02500 -1.0 2.0
   61    68    78    84   0.10000  1.0 3.0
   62    61    66    67   0.00000  1.0 1.0
   62    61    66    73   0.00000  1.0 1.0
   62    61    68    69   0.15000  1.0 3.0
   62    61    68    74   0.15000  1.0 3.0
   62    61    68    78   0.15000  1.0 3.0
   66    61    68    69  -0.03800  1.0 3.0
   66    61    68    74   0.33900  1.0 1.0
   66    61    68    74   0.63800 -1.0 2.0
   66    61    68    78   0.33900  1.0 1.0
   66    61    68    78   0.63800 -1.0 2.0
   67    66    73    47   3.00000 -1.0 2.0
   73    47    52    33   1.00600  1.0 1.0
   73    47    52    33  -1.41450 -1.0 2.0
   73    47    52    33   0.25150  1.0 3.0
   73    47   -52    61   1.00600  1.0 1.0
   73    47   -52    61  -1.41450 -1.0 2.0
   73    47   -52    61   0.25150  1.0 3.0
   68    61    66    67   0.00000  1.0 1.0
   68    61    66    73   0.36750  1.0 3.0
   68    78    84    85   0.15000  1.0 3.0
   68    78    84    86   0.15000  1.0 3.0
   68    78    84    87   0.15000  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    76   0.15000  1.0 3.0
   69    68    74    77   0.15000  1.0 3.0
   69    68    78    79   0.15000  1.0 3.0
   69    68    78    80   0.15000  1.0 3.0
   69    68    78    84   0.15000  1.0 3.0
   74    68    78    79   0.15000  1.0 3.0
   74    68    78    80   0.15000  1.0 3.0
   74    68    78    84   0.65000  1.0 1.0
   74    68    78    84  -0.02500 -1.0 2.0
   74    68    78    84   0.10000  1.0 3.0
   78    68    74    75   0.15000  1.0 3.0
   78    68    74    76   0.15000  1.0 3.0
   78    68    74    77   0.15000  1.0 3.0
   79    78    84    85   0.15000  1.0 3.0
   79    78    84    86   0.15000  1.0 3.0
   79    78    84    87   0.15000  1.0 3.0
   80    78    84    85   0.15000  1.0 3.0
   80    78    84    86   0.15000  1.0 3.0
   80    78    84    87   0.15000  1.0 3.0
   41    37    40    43   0.15800  1.0 1.0
   41    37    40    43   1.85350 -1.0 2.0
   41    37    40    43  -0.48700  1.0 3.0
   41    37    40    65   0.15800  1.0 1.0
   41    37    40    65   1.85350 -1.0 2.0
   41    37    40    65  -0.48700  1.0 3.0
   41    44    49    50   3.62500 -1.0 2.0
   41    44    49    53   3.62500 -1.0 2.0
   41    44    81    70   3.62500 -1.0 2.0
   41    44    81    38   3.62500 -1.0 2.0
   42    41    44    49  -0.01750  1.0 1.0
   42    41    44    49  -0.32000 -1.0 2.0
   42    41    44    49   0.00600  1.0 3.0
   42    41    44    81  -0.01750  1.0 1.0
   42    41    44    81  -0.32000 -1.0 2.0
   42    41    44    81   0.00600  1.0 3.0
   44    49    53    54   3.62500 -1.0 2.0
   44    49    53    63   3.62500 -1.0 2.0
   44    81   -38    33   2.26350  1.0 1.0
   44    81   -38    33   0.76750 -1.0 2.0
   44    81   -38    33   0.22500  1.0 3.0
   44    81    38    39   1.05000 -1.0 2.0
   49    44    81    70   3.62500 -1.0 2.0
   49    44    81    38   3.62500 -1.0 2.0
   49    53    63    64   3.62500 -1.0 2.0
   49    53   -63    70   3.62500 -1.0 2.0
   50    49    53    54   3.62500 -1.0 2.0
   50    49    53    63   3.62500 -1.0 2.0
   53    63    70    81   3.62500 -1.0 2.0
   53    63    70    82   3.62500 -1.0 2.0
   54    53    63    64   3.62500 -1.0 2.0
   54    53    63    70   3.62500 -1.0 2.0
   63    70   -81    44   3.62500 -1.0 2.0
   63    70    81    38   3.62500 -1.0 2.0
   63    70    82    83   0.84100 -1.0 2.0
   64    63    70    81   3.62500 -1.0 2.0
   64    63    70    82   3.62500 -1.0 2.0
   70    81    38    33   2.26350  1.0 1.0
   70    81    38    33   0.76750 -1.0 2.0
   70    81    38    33   0.22500  1.0 3.0
   70    81    38    39   1.05000 -1.0 2.0
   81    44    49    50   3.62500 -1.0 2.0
   81    44   -49    53   3.62500 -1.0 2.0
   81    70    82    83   0.84100 -1.0 2.0
   38    33    37    40   0.09700  1.0 1.0
   38    33    37    40   0.15600 -1.0 2.0
   38    33    37    40  -0.50800  1.0 3.0
   38    33   -37    41  -0.51250  1.0 1.0
   38    33   -37    41  -0.88800 -1.0 2.0
   38    33   -37    41   0.08850  1.0 3.0
   38    33    52    47  -1.76800  1.0 1.0
   38    33    52    47   1.02600 -1.0 2.0
   38    33    52    47   0.19700  1.0 3.0
   38    33    52    61  -1.76800  1.0 1.0
   38    33    52    61   1.02600 -1.0 2.0
   38    33    52    61   0.19700  1.0 3.0
   82    70    81    44   3.62500 -1.0 2.0
   82    70    81    38   3.62500 -1.0 2.0
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    41   1.10000 -1.0 2.0
   43    65    40    37   4.00000 -1.0 2.0
   45    47    43    40   4.00000 -1.0 2.0
   51    46    45    43   1.10000 -1.0 2.0
   55    57    51    45   4.00000 -1.0 2.0
   65    56    55    51   1.10000 -1.0 2.0
   55    71    65    40   4.00000 -1.0 2.0
   61    73    66    67  10.50000 -1.0 2.0
   44    42    41    37   1.10000 -1.0 2.0
   49    81    44    41   4.00000 -1.0 2.0
   53    50    49    44   1.10000 -1.0 2.0
   63    54    53    49   1.10000 -1.0 2.0
   70    64    63    53   1.10000 -1.0 2.0
   81    82    70    63   4.00000 -1.0 2.0
   70    38    81    44   4.00000 -1.0 2.0
   33    81    38    39  10.50000 -1.0 2.0
END
