* LIGAND DATABASE FILE (OPLS2005)
*
001      88    92    166    271     491
    1     0 S   NP   _N1_     1    28.69371    95.36919   -22.06627
    2     1 S   H    _HN1     2     1.02778    94.54951   -90.90186
    3     1 S   H    _H1_     3     1.02954    81.49137    17.04516
    4     1 S   H    _H2_     4     1.02828    34.94974   153.95809
    5     1 S   CT   _CA1     5     1.50132   143.90623   130.12405
    6     5 S   HC   _HA1     6     1.09557   105.22932    73.60053
    7     5 S   CO3  _C1_     7     1.53846   112.50932   -46.76912
    8     7 S   O2Z  _O11     8     1.26374   114.95133   -38.10033
    9     7 S   O2Z  _O12     9     1.26232   115.06189   141.11567
   10     5 S   CT   _CB1    10     1.53093   107.44071  -168.12127
   11    10 S   HC   HB11    11     1.09825   109.66331   -47.00754
   12    10 S   HC   HB12    12     1.09819   110.29405    69.70466
   13    10 S   CT   _CG1    13     1.52954   112.54739  -167.90532
   14    13 S   HC   HG11    14     1.09562   110.58583   -62.14686
   15    13 S   HC   HG12    15     1.09654   109.87252    57.08164
   16    13 S   C    _CD1    16     1.51766   112.32362   177.77754
   17    16 S   O    _OE1    17     1.22710   123.33428     4.58983
   18    16 S   N    _N2_    18     1.38596   111.54511  -176.14491
   19    18 S   H    _HN2    19     1.01588   118.98972     3.27052
   20    18 S   CT1  _CA2    20     1.46226   123.49113  -178.12268
   21    20 S   HC   _HA2    21     1.09724   109.43392    -5.69371
   22    20 S   C    _C2_    22     1.53380   108.60320  -121.43397
   23    22 S   O    _O2_    23     1.23034   122.32928  -148.93791
   24    20 S   CT   _CB2    32     1.53427   111.10357   116.29058
   25    24 S   HC   HB21    33     1.09383   109.26309    57.11557
   26    24 S   HC   HB22    34     1.09480   110.34462   175.63139
   27    22 S   N    _N3_    24     1.38343   113.54886    38.55253
   28    27 S   H    _HN3    25     1.01630   119.50478    -3.47057
   29    24 S   S    _SG2    35     1.83204   111.00793   -65.20941
   30    27 S   CT   _CA3    26     1.45284   123.14941   177.04302
   31    30 S   HC   HA31    27     1.09551   107.51447   -64.34061
   32    30 S   HC   HA32    28     1.09559   107.96627    52.07618
   33    29 S   CT   _C22    36     1.92295   101.78188   151.70733
   34    30 S   CO3  _C3_    29     1.52937   114.12155   174.07874
   35    34 S   O2Z  _O31    30     1.26371   116.06617    -0.46730
   36    34 S   O2Z  _O32    31     1.26430   114.41181   179.58978
   37    33 S   CO4  _C17    37     1.54083   102.59618    65.14140
   38    37 S   O    _O27    38     1.22970   122.85753   -81.45865
   39    33 S   NT   _N25    70     1.48197   110.27227   -53.90674
   40    37 S   CA   _C10    39     1.49589   118.61674    92.76768
   41    39 S   CT1  _C21    71     1.47961   119.28194   177.71501
   42    41 S   HC   _H40    72     1.09315   110.90670    36.62814
   43    40 S   CA   _C9_    40     1.40177   119.89125    -6.91622
   44    41 S   CO4  _C18    73     1.52613   102.73795   148.97740
   45    44 S   O    _O28    74     1.22083   126.76962   170.23054
   46    41 S   CTE  _C27    76     1.55161   114.92681   -89.44547
   47    46 S   HC   _H52    77     1.09329   107.77926    63.41134
   48    43 S   CA   _C5_    41     1.39859   121.21852  -175.93033
   49    48 S   HA   _H34    42     1.08696   121.05400   179.86012
   50    43 S   CO4  _C16    50     1.47543   119.69310     4.77307
   51    50 S   O    _O26    51     1.22359   119.87172  -148.77142
   52    77 S   OS   _O29    75     1.42522   107.72691   126.55389
   53    46 S   CT   _C25    78     1.53556   112.72844   -54.79330
   54    53 S   HC   _H47    79     1.09482   111.56969   -64.75551
   55    53 S   HC   _H48    80     1.09559   110.52228   175.54728
   56    53 S   HC   _H49    81     1.09396   111.65327    56.35888
   57    46 S   CT   _C26    82     1.54723   115.01755   179.24541
   58    57 S   HC   _H50    83     1.09812   108.26638  -173.46919
   59    57 S   HC   _H51    84     1.09480   111.26050    70.86287
   60    48 S   CA   _C4_    43     1.39254   119.60771    -1.05555
   61    60 S   HA   _H33    44     1.08641   120.03436  -179.54030
   62    33 S   CT   _C19    52     1.55268   109.93802  -176.92515
   63    62 S   HC   _H38    53     1.10049   109.90196  -170.34237
   64    57 S   CT   _C24    85     1.52183   114.05946   -53.54823
   65    64 S   HC   _H44    86     1.09374   111.56907    69.42322
   66    64 S   HC   _H45    87     1.09453   111.11084   -51.98665
   67    64 S   HC   _H46    88     1.09487   109.98476  -171.51937
   68    60 S   CA   _C6_    45     1.39376   119.98481     0.23155
   69    68 S   HA   _H35    46     1.08712   119.54872  -179.92338
   70    62 S   CA   _C12    54     1.52054   112.83918    73.06888
   71    40 S   CA   _C14    47     1.40229   121.70288   176.21695
   72    70 S   CA   _C11    55     1.41109   119.05936    16.52040
   73    71 S   OH   _O30    48     1.36888   123.50678    -3.23125
   74    73 S   HO   _H53    49     0.97389   108.93578     3.37945
   75    72 S   CA   _C7_    56     1.40897   119.80242  -176.83387
   76    75 S   HA   _H36    57     1.08913   119.45287   177.18652
   77    72 S   CO   _C20    68     1.52444   121.71463     4.97343
   78    77 S   HC   _H39    69     1.09496   108.56318  -118.00646
   79    75 S   CA   _C13    58     1.39703   121.20324    -4.49553
   80    79 S   CA   _C8_    59     1.39528   118.85309    -0.46225
   81    80 S   HA   _H37    60     1.08734   119.51813  -177.63561
   82    79 S   CT   _C23    64     1.49878   120.99761   179.88809
   83    82 S   HC   _H41    65     1.09501   110.37553   130.72427
   84    82 S   HC   _H42    66     1.09439   110.01990  -108.80784
   85    82 S   HC   _H43    67     1.09490   111.49932    11.44319
   86    70 S   CA   _C15    61     1.40405   122.87377  -168.75738
   87    86 S   OH   _O33    62     1.37002   119.58976    -4.39405
   88    87 S   HO   _H54    63     0.97206   108.98832   177.51825
  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
