* LIGAND DATABASE FILE (OPLS2005)
*
001      98    97    171    248     498
    1     0 S   NP   _N1_     1    30.45923    93.75289   -26.59709
    2     1 S   H    _HN1     2     1.02779   125.75856   -92.58619
    3     1 S   H    _H1_     3     1.02952    81.20160    13.77024
    4     1 S   H    _H2_     4     1.02839    27.26381  -147.64646
    5     1 S   CT   _CA1     5     1.50101   113.42647   122.31099
    6     5 S   HC   _HA1     6     1.09572   105.23843    88.61899
    7     5 S   CO3  _C1_     7     1.53787   112.38084   -31.66175
    8     7 S   O2Z  _O11     8     1.26364   114.99255   -44.16559
    9     7 S   O2Z  _O12     9     1.26232   114.93147   135.03486
   10     5 S   CT   _CB1    10     1.53099   107.46738  -153.38981
   11    10 S   HC   HB11    11     1.09827   109.41530   -50.14742
   12    10 S   HC   HB12    12     1.09825   110.43321    66.45753
   13    10 S   CT   _CG1    13     1.53008   112.58750  -171.17439
   14    13 S   HC   HG11    14     1.09591   110.51813   -63.53587
   15    13 S   HC   HG12    15     1.09655   109.93082    55.72294
   16    13 S   C    _CD1    16     1.51762   112.27534   176.15773
   17    16 S   O    _OE1    17     1.22764   123.23662     1.04343
   18    16 S   N    _N2_    18     1.38701   111.65508  -179.12285
   19    18 S   H    _HN2    19     1.01593   118.99809     2.04258
   20    18 S   CT1  _CA2    20     1.45994   123.35978   179.46005
   21    20 S   HC   _HA2    21     1.09432   109.10797    -2.58301
   22    20 S   C    _C2_    22     1.53346   108.82513  -116.81647
   23    22 S   O    _O2_    23     1.23017   122.44709  -143.80112
   24    20 S   CT   _CB2    32     1.53346   111.88469   120.03969
   25    24 S   HC   HB21    33     1.09680   109.39302    61.92299
   26    24 S   HC   HB22    34     1.09526   110.86808   178.48199
   27    22 S   N    _N3_    24     1.38369   113.34716    44.09748
   28    27 S   H    _HN3    25     1.01617   119.63680    -4.99591
   29    24 S   S    _SG2    35     1.83535   115.61410   -57.71049
   30    27 S   CT   _CA3    26     1.45271   122.98531   175.89435
   31    30 S   HC   HA31    27     1.09553   107.64505   -58.14294
   32    30 S   HC   HA32    28     1.09545   107.80123    58.23839
   33    29 S   CT   _C20    36     1.84373   101.52580   -58.00101
   34    33 S   HC   _H5_    37     1.09223   106.91259    54.68416
   35    30 S   CO3  _C3_    29     1.52858   114.08527   179.91844
   36    35 S   O2Z  _O31    30     1.26377   116.01032    -6.47748
   37    35 S   O2Z  _O32    31     1.26411   114.47660   173.43365
   38    33 S   CM   _C19    38     1.51119   108.63416   -64.35595
   39    38 S   HC   _H27    39     1.08835   117.39592   -64.25816
   40    33 S   CT   _C21    78     1.55044   111.67903   172.35943
   41    40 S   HC   _H6_    79     1.09964   109.34220    62.95316
   42    38 S   CM   _C18    40     1.34258   122.59008   115.78526
   43    42 S   HC   _H26    41     1.08527   118.43730     0.18871
   44    40 S   C    _C23    80     1.53264   110.74678   179.54200
   45    44 S   O    _O33    81     1.23042   121.08199  -116.57738
   46    40 S   CT   _C22    95     1.53423   113.84686   -57.38090
   47    46 S   HC   _H28    96     1.09540   111.73426   -48.53190
   48    46 S   HC   _H29    97     1.09592   110.83476  -168.42054
   49    46 S   HC   _H30    98     1.09433   111.40139    72.28208
   50    42 S   CM   _C17    42     1.44525   123.65543  -179.27153
   51    50 S   HC   _H25    43     1.08905   115.97521    -5.15214
   52    44 S   N    _N4_    82     1.38476   114.37630    62.82071
   53    52 S   H    _H31    83     1.01510   119.51743    -0.26614
   54    50 S   CM   _C16    44     1.34338   126.83887   174.20275
   55    54 S   HC   _H24    45     1.08920   117.00170  -179.53606
   56    52 S   CT   _C24    84     1.46145   122.92632  -176.90674
   57    56 S   HC   _H7_    85     1.09678   107.32745   -35.11133
   58    54 S   CM   _C15    46     1.44825   127.09990    -0.47847
   59    58 S   HC   _H23    47     1.08562   117.90355     2.69835
   60    56 S   CT   _C25    86     1.52684   109.85812    83.44134
   61    60 S   HC   _H32    87     1.09587   111.18769    60.52705
   62    60 S   HC   _H33    88     1.09532   111.02407   -59.04243
   63    60 S   HC   _H34    89     1.09483   110.92790  -178.97397
   64    56 S   CT   _C26    90     1.53018   110.46865  -154.20895
   65    64 S   HC   _H35    91     1.09497   110.65700  -175.23897
   66    64 S   HC   _H36    92     1.09550   111.42647   -54.00053
   67    58 S   CM   _C14    48     1.34293   123.10640  -177.26992
   68    67 S   HC   _H22    49     1.08834   120.01691    -1.45670
   69    64 S   OH   _O34    93     1.42329   109.53731    65.96468
   70    69 S   HO   _H37    94     0.97234   107.05828   179.16514
   71    67 S   CM   _C12    50     1.45984   124.59512  -179.62727
   72    71 S   CM   _C11    51     1.34902   121.37214   -46.85796
   73    72 S   HC   _H18    52     1.09101   118.29060     1.01914
   74    71 S   CT   _C13    74     1.50413   113.34093   134.40388
   75    74 S   HC   _H19    75     1.09536   110.36666    71.22050
   76    74 S   HC   _H20    76     1.09218   113.40956  -167.52530
   77    74 S   HC   _H21    77     1.09641   110.46707   -48.41737
   78    72 S   CT   _C9_    53     1.51885   127.88080  -178.44405
   79    78 S   HC   _H4_    54     1.09431   109.64057     9.39134
   80    78 S   CT   _C10    55     1.53384   108.44368   126.26800
   81    80 S   HC   _H15    56     1.09560   111.46830    66.05234
   82    80 S   HC   _H16    57     1.09612   110.92619   -54.13398
   83    80 S   HC   _H17    58     1.09462   111.38013  -173.36854
   84    78 S   CT   _C8_    59     1.55042   110.09751  -110.54462
   85    84 S   HC   _H3_    60     1.09837   108.74664   -53.43067
   86    84 S   CM   _C6_    61     1.52441   114.35088  -177.20992
   87    84 S   OH   _O35    72     1.43287   108.69429    61.91705
   88    87 S   HO   _H38    73     0.97259   107.24377  -178.32731
   89    86 S   CM   _C5_    62     1.34793   119.62888   119.28538
   90    89 S   HC   _H11    63     1.08895   118.19722     0.58584
   91    86 S   CT   _C7_    68     1.50647   116.27066   -61.34269
   92    91 S   HC   _H12    69     1.09492   110.66080   -47.39733
   93    91 S   HC   _H13    70     1.09427   110.44043    72.50896
   94    91 S   HC   _H14    71     1.09235   113.20847  -166.50044
   95    89 S   CT   _C4_    64     1.49438   128.28804  -178.19181
   96    95 S   HC   _H8_    65     1.09416   109.86303  -112.01327
   97    95 S   HC   _H9_    66     1.09153   113.76248     9.87036
   98    95 S   HC   _H10    67     1.09504   109.33936   129.58094
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  15   7   2   1   1  10   4  11   7   6   3  11   4   4   2   1
   1   6   3  11   4   6   3  10   8   6   3   7   3   2   1   4
   3   2   9   3   1   1  10  15   5   4   2   1   1  12   8   7
   3   2   1  11   5  12   3   1   9   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    50    40    41    44    45    52    46    47    48    49  
   38    39    42    40    41    44    46  
   36    37  
   37  
    0  
   39    42    43    50    51    54    40    41    44    46  
   42    43    50    40  
   41    44    45    52    53    56    46    47    48    49    42  
   44    45    52    46    47    48    49  
   43    50    51    54    55    58  
   50    51    54  
   45    52    53    56    57    60    64    46    47    48    49  
   52    53    56    46  
   47    48    49    52  
   48    49  
   49  
    0  
   51    54    55    58    59    67  
   54    55    58  
   53    56    57    60    61    62    63    64    65    66    69  
   56    57    60    64  
   55    58    59    67    68    71  
   58    59    67  
   57    60    61    62    63    64    65    66    69    70  
   60    61    62    63    64    65    66    69  
   59    67    68    71    72    74  
   67    68    71  
   61    62    63    64    65    66    69  
   62    63    64  
   63    64  
   64  
   65    66    69    70  
   66    69    70  
   69    70  
   68    71    72    73    78    74    75    76    77  
   71    72    74  
   70  
    0  
   72    73    78    79    80    84    74    75    76    77  
   73    78    79    80    81    82    83    84    85    86    87    74    75    76    77  
   78    79    80    84    74  
   75    76    77    78  
   76    77  
   77  
    0  
   79    80    81    82    83    84    85    86    89    91    87    88  
   80    81    82    83    84    85    86    87  
   81    82    83    84    85    86    87  
   82    83    84  
   83    84  
   84  
   85    86    89    90    95    91    92    93    94    87    88  
   86    89    91    87    88  
   89    90    95    96    97    98    91    92    93    94    87    88  
   88    89    91  
    0  
   90    95    96    97    98    91    92    93    94  
   95    96    97    98    91  
   92    93    94    95  
   93    94  
   94  
    0  
   96    97    98  
   97    98  
   98  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   53   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.145000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   90   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    50   380.000  1.444
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    55   340.000  1.080
   54    58   380.000  1.444
   58    59   340.000  1.080
   58    67   549.000  1.340
   67    68   340.000  1.080
   67    71   380.000  1.444
   71    72   549.000  1.340
   71    74   317.000  1.510
   72    73   340.000  1.080
   72    78   317.000  1.510
   78    79   340.000  1.090
   78    80   268.000  1.529
   78    84   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   84    85   340.000  1.090
   84    86   317.000  1.510
   84    87   320.000  1.410
   86    89   549.000  1.340
   86    91   317.000  1.510
   89    90   340.000  1.080
   89    95   317.000  1.510
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   87    88   553.000  0.945
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   40    41   340.000  1.090
   40    44   317.000  1.522
   40    46   268.000  1.529
   44    45   570.000  1.229
   44    52   490.000  1.335
   52    53   434.000  1.010
   52    56   337.000  1.449
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    64   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    69   320.000  1.410
   69    70   553.000  0.945
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    44    63.00000  111.10000
   33    40    46    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    50    70.00000  123.01800
   42    38    39    35.00000  120.00000
   42    50    51    35.00000  120.00000
   42    50    54    70.00000  123.01800
   50    42    43    35.00000  120.00000
   50    54    55    35.00000  120.00000
   50    54    58    70.00000  123.01800
   54    50    51    35.00000  120.00000
   54    58    59    35.00000  120.00000
   54    58    67    70.00000  123.01800
   58    54    55    35.00000  120.00000
   58    67    68    35.00000  120.00000
   58    67    71    70.00000  123.01800
   67    58    59    35.00000  120.00000
   67    71    72    70.00000  123.01800
   67    71    74    70.00000  124.00000
   71    67    68    35.00000  120.00000
   71    72    73    35.00000  120.00000
   71    72    78    70.00000  124.00000
   71    74    75    35.00000  109.50000
   71    74    76    35.00000  109.50000
   71    74    77    35.00000  109.50000
   72    78    79    35.00000  109.50000
   72    78    80    70.00000  112.02700
   72    78    84    70.00000  112.02700
   78    72    73    35.00000  117.00000
   78    80    81    37.50000  110.70000
   78    80    82    37.50000  110.70000
   78    80    83    37.50000  110.70000
   78    84    85    37.50000  110.70000
   78    84    86    70.00000  112.02700
   78    84    87    50.00000  109.50000
   80    78    79    37.50000  110.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   84    78    79    37.50000  110.70000
   84    78    80    58.35000  112.70000
   84    86    89    70.00000  124.00000
   84    86    91    65.00000  117.92700
   84    87    88    55.00000  108.50000
   86    84    85    35.00000  109.50000
   86    89    90    35.00000  120.00000
   86    89    95    70.00000  124.00000
   86    91    92    35.00000  109.50000
   86    91    93    35.00000  109.50000
   86    91    94    35.00000  109.50000
   89    95    96    35.00000  109.50000
   89    95    97    35.00000  109.50000
   89    95    98    35.00000  109.50000
   95    89    90    35.00000  117.00000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   91    86    89    70.00000  124.00000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   87    84    85    35.00000  109.50000
   87    84    86    90.00000  110.39200
   74    71    72    70.00000  124.00000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    44    45    80.00000  120.40000
   40    44    52    70.00000  116.60000
   40    46    47    37.50000  110.70000
   40    46    48    37.50000  110.70000
   40    46    49    37.50000  110.70000
   44    40    41    35.00000  109.50000
   44    52    53    35.00000  119.80000
   44    52    56    50.00000  121.90000
   52    44    45    80.00000  122.90000
   52    56    57    35.00000  109.50000
   52    56    60    70.00000  110.72300
   52    56    64    70.00000  110.72300
   56    52    53    38.00000  118.40000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    63    37.50000  110.70000
   56    64    65    37.50000  110.70000
   56    64    66    37.50000  110.70000
   56    64    69    50.00000  109.50000
   60    56    57    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    56    57    37.50000  110.70000
   64    56    60    58.35000  112.70000
   64    69    70    55.00000  108.50000
   66    64    65    33.00000  107.80000
   69    64    65    35.00000  109.50000
   69    64    66    35.00000  109.50000
   46    40    41    37.50000  110.70000
   46    40    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   29    33    40    46   0.44750  1.0 1.0
   29    33    40    46  -0.17800 -1.0 2.0
   29    33    40    46   0.20200  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    50   7.00000 -1.0 2.0
   33    40    44    45   0.30150 -1.0 2.0
   33    40    44    52   1.39750  1.0 1.0
   33    40    44    52  -0.07950 -1.0 2.0
   33    40    44    52  -0.18750  1.0 3.0
   33    40    46    47   0.15000  1.0 3.0
   33    40    46    48   0.15000  1.0 3.0
   33    40    46    49   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44  -0.11250  1.0 3.0
   34    33    40    46   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44  -0.98800  1.0 1.0
   38    33    40    44   0.48800 -1.0 2.0
   38    33    40    44   0.76800  1.0 3.0
   38    33    40    46   0.34400  1.0 1.0
   38    33    40    46   0.09450 -1.0 2.0
   38    33    40    46   0.11100  1.0 3.0
   38    42    50    51  -0.18600  1.0 3.0
   38    42    50    54   0.28850  1.0 1.0
   38    42    50    54   2.61350 -1.0 2.0
   38    42    50    54   0.78400  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    50   7.00000 -1.0 2.0
   42    50    54    55   7.00000 -1.0 2.0
   42    50    54    58   7.00000 -1.0 2.0
   43    42    50    51   0.00000  1.0 1.0
   43    42    50    54  -0.18600  1.0 3.0
   50    54    58    59  -0.18600  1.0 3.0
   50    54    58    67   0.28850  1.0 1.0
   50    54    58    67   2.61350 -1.0 2.0
   50    54    58    67   0.78400  1.0 3.0
   51    50    54    55   7.00000 -1.0 2.0
   51    50    54    58   7.00000 -1.0 2.0
   54    58    67    68   7.00000 -1.0 2.0
   54    58    67    71   7.00000 -1.0 2.0
   55    54    58    59   0.00000  1.0 1.0
   55    54    58    67  -0.18600  1.0 3.0
   58    67    71    72   0.28850  1.0 1.0
   58    67    71    72   2.61350 -1.0 2.0
   58    67    71    72   0.78400  1.0 3.0
   58    67    71    74  -0.18600  1.0 3.0
   59    58    67    68   7.00000 -1.0 2.0
   59    58    67    71   7.00000 -1.0 2.0
   67    71    72    73   7.00000 -1.0 2.0
   67    71    72    78   7.00000 -1.0 2.0
   67    71    74    75   0.00000  1.0 1.0
   67    71    74    76   0.00000  1.0 1.0
   67    71    74    77   0.00000  1.0 1.0
   68    67    71    72  -0.18600  1.0 3.0
   68    67    71    74   0.00000  1.0 1.0
   71    72    78    79   0.00000  1.0 1.0
   71    72    78    80   0.09850  1.0 1.0
   71    72    78    80   0.15250 -1.0 2.0
   71    72    78    80  -0.50650  1.0 3.0
   71    72    78    84   0.09850  1.0 1.0
   71    72    78    84   0.15250 -1.0 2.0
   71    72    78    84  -0.50650  1.0 3.0
   72    71    74    75   0.00000  1.0 1.0
   72    71    74    76   0.00000  1.0 1.0
   72    71    74    77   0.00000  1.0 1.0
   72    78    80    81   0.15000  1.0 3.0
   72    78    80    82   0.15000  1.0 3.0
   72    78    80    83   0.15000  1.0 3.0
   72    78    84    85   0.15000  1.0 3.0
   72    78    84    86   0.31000  1.0 1.0
   72    78    84    86   0.14700 -1.0 2.0
   72    78    84    86   0.07550  1.0 3.0
   72    78    84    87   1.05650  1.0 1.0
   72    78    84    87   0.15600 -1.0 2.0
   72    78    84    87   0.53150  1.0 3.0
   73    72    78    79   0.33100  1.0 3.0
   73    72    78    80   0.00000  1.0 1.0
   73    72    78    84   0.00000  1.0 1.0
   78    84    86    89   0.09850  1.0 1.0
   78    84    86    89   0.15250 -1.0 2.0
   78    84    86    89  -0.50650  1.0 3.0
   78    84    86    91   0.46850  1.0 1.0
   78    84    86    91   0.08550 -1.0 2.0
   78    84    86    91   0.09800  1.0 3.0
   78    84    87    88  -0.11600  1.0 1.0
   78    84    87    88  -0.09450 -1.0 2.0
   78    84    87    88   0.21250  1.0 3.0
   79    78    80    81   0.15000  1.0 3.0
   79    78    80    82   0.15000  1.0 3.0
   79    78    80    83   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   0.23400  1.0 3.0
   80    78    84    85   0.15000  1.0 3.0
   80    78    84    86   0.34400  1.0 1.0
   80    78    84    86   0.09450 -1.0 2.0
   80    78    84    86   0.11100  1.0 3.0
   80    78    84    87   0.86500  1.0 1.0
   80    78    84    87  -0.17500 -1.0 2.0
   80    78    84    87   0.20800  1.0 3.0
   84    78    80    81   0.15000  1.0 3.0
   84    78    80    82   0.15000  1.0 3.0
   84    78    80    83   0.15000  1.0 3.0
   84    86    89    90   7.00000 -1.0 2.0
   84    86    89    95   7.00000 -1.0 2.0
   84    86    91    92   0.34800  1.0 3.0
   84    86    91    93   0.34800  1.0 3.0
   84    86    91    94   0.34800  1.0 3.0
   85    84    86    89   0.00000  1.0 1.0
   85    84    86    91   0.34800  1.0 3.0
   85    84    87    88   0.19450  1.0 3.0
   86    84    87    88  -0.07800  1.0 1.0
   86    84    87    88  -0.21500 -1.0 2.0
   86    84    87    88  -0.03150  1.0 3.0
   86    89    95    96   0.00000  1.0 1.0
   86    89    95    97   0.00000  1.0 1.0
   86    89    95    98   0.00000  1.0 1.0
   89    86    91    92   0.00000  1.0 1.0
   89    86    91    93   0.00000  1.0 1.0
   89    86    91    94   0.00000  1.0 1.0
   90    89    95    96   0.33100  1.0 3.0
   90    89    95    97   0.33100  1.0 3.0
   90    89    95    98   0.33100  1.0 3.0
   91    86    89    90   7.00000 -1.0 2.0
   91    86    89    95   7.00000 -1.0 2.0
   87    84    86    89   0.67800  1.0 1.0
   87    84    86    89   0.47050 -1.0 2.0
   87    84    86    89  -0.62500  1.0 3.0
   87    84    86    91   0.18000  1.0 1.0
   87    84    86    91   0.16450 -1.0 2.0
   87    84    86    91   0.04450  1.0 3.0
   74    71    72    73   7.00000 -1.0 2.0
   74    71    72    78   7.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42   0.09850  1.0 1.0
   40    33    38    42   0.15250 -1.0 2.0
   40    33    38    42  -0.50650  1.0 3.0
   40    44    52    53   2.45000 -1.0 2.0
   40    44    52    56   1.49850  1.0 1.0
   40    44    52    56   1.53950 -1.0 2.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    52   0.00000  1.0 1.0
   41    40    46    47   0.15000  1.0 3.0
   41    40    46    48   0.15000  1.0 3.0
   41    40    46    49   0.15000  1.0 3.0
   44    40    46    47  -0.11250  1.0 3.0
   44    40    46    48  -0.11250  1.0 3.0
   44    40    46    49  -0.11250  1.0 3.0
   44    52    56    57   0.00000  1.0 1.0
   44    52    56    60  -0.43950  1.0 1.0
   44    52    56    60  -0.08100 -1.0 2.0
   44    52    56    60   0.03350  1.0 3.0
   44    52    56    64  -0.43950  1.0 1.0
   44    52    56    64  -0.08100 -1.0 2.0
   44    52    56    64   0.03350  1.0 3.0
   45    44    52    53   2.45000 -1.0 2.0
   45    44    52    56   3.04450 -1.0 2.0
   52    56    60    61   0.15000  1.0 3.0
   52    56    60    62   0.15000  1.0 3.0
   52    56    60    63   0.15000  1.0 3.0
   52    56    64    65   0.15000  1.0 3.0
   52    56    64    66   0.15000  1.0 3.0
   52    56    64    69   2.76900  1.0 1.0
   52    56    64    69  -0.24350 -1.0 2.0
   52    56    64    69  -0.78250  1.0 3.0
   53    52    56    57   0.00000  1.0 1.0
   53    52    56    60   0.00000  1.0 1.0
   53    52    56    64   0.00000  1.0 1.0
   56    64    69    70  -0.11600  1.0 1.0
   56    64    69    70  -0.09450 -1.0 2.0
   56    64    69    70   0.21250  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    62   0.15000  1.0 3.0
   57    56    60    63   0.15000  1.0 3.0
   57    56    64    65   0.15000  1.0 3.0
   57    56    64    66   0.15000  1.0 3.0
   57    56    64    69   0.23400  1.0 3.0
   60    56    64    65   0.15000  1.0 3.0
   60    56    64    66   0.15000  1.0 3.0
   60    56    64    69   0.86500  1.0 1.0
   60    56    64    69  -0.17500 -1.0 2.0
   60    56    64    69   0.20800  1.0 3.0
   64    56    60    61   0.15000  1.0 3.0
   64    56    60    62   0.15000  1.0 3.0
   64    56    60    63   0.15000  1.0 3.0
   65    64    69    70   0.19450  1.0 3.0
   66    64    69    70   0.19450  1.0 3.0
   46    40    44    45   0.30150 -1.0 2.0
   46    40    44    52   1.39750  1.0 1.0
   46    40    44    52  -0.07950 -1.0 2.0
   46    40    44    52  -0.18750  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42  15.00000 -1.0 2.0
   50    43    42    38  15.00000 -1.0 2.0
   42    51    50    54  15.00000 -1.0 2.0
   58    55    54    50  15.00000 -1.0 2.0
   54    59    58    67  15.00000 -1.0 2.0
   71    68    67    58  15.00000 -1.0 2.0
   67    74    71    72  15.00000 -1.0 2.0
   78    73    72    71  15.00000 -1.0 2.0
   84    91    86    89  15.00000 -1.0 2.0
   95    90    89    86  15.00000 -1.0 2.0
   40    52    44    45  10.50000 -1.0 2.0
   53    44    52    56   1.00000 -1.0 2.0
END
