* LIGAND DATABASE FILE (OPLS2005)
*
001      93    95    165    257     482
    1     0 S   NP   _N1_     1    29.08045    95.48579   -25.45003
    2     1 S   H    _HN1     2     1.02952    76.99901     9.62582
    3     1 S   H    _H1_     3     1.02829    30.18090  -175.23334
    4     1 S   H    _H2_     4     1.02788   116.15901   -94.66129
    5     1 S   CT   _CA1     5     1.50109   125.32636   115.59071
    6     5 S   HC   _HA1     6     1.09575   105.20568    89.39843
    7     5 S   CO3  _C1_     7     1.53794   112.47188   -30.86297
    8     7 S   O2Z  _O11     8     1.26374   115.00885   -42.48823
    9     7 S   O2Z  _O12     9     1.26244   114.94920   136.68887
   10     5 S   CT   _CB1    10     1.53083   107.42259  -152.60153
   11    10 S   HC   HB11    11     1.09835   109.39014   -49.69367
   12    10 S   HC   HB12    12     1.09816   110.43672    66.91790
   13    10 S   CT   _CG1    13     1.52990   112.60071  -170.67155
   14    13 S   HC   HG11    14     1.09584   110.62669   -65.30243
   15    13 S   HC   HG12    15     1.09671   109.79403    53.93023
   16    13 S   C    _CD1    16     1.51796   112.23886   174.39716
   17    16 S   O    _OE1    17     1.22731   123.29541     6.48350
   18    16 S   N    _N2_    18     1.38658   111.66210  -173.63253
   19    18 S   H    _HN2    19     1.01586   118.93353     1.86025
   20    18 S   CT1  _CA2    20     1.46197   123.39083   177.61969
   21    20 S   HC   _HA2    21     1.09737   109.35243     2.51948
   22    20 S   C    _C2_    22     1.53550   108.63736  -112.95796
   23    22 S   O    _O2_    23     1.23057   122.27245  -148.14427
   24    20 S   CT   _CB2    32     1.53298   111.56868   124.50774
   25    24 S   HC   HB21    33     1.09582   110.12219    56.28523
   26    24 S   HC   HB22    34     1.09511   110.20844   175.38934
   27    22 S   N    _N3_    24     1.38327   113.71287    39.31709
   28    27 S   H    _HN3    25     1.01585   119.58891    -3.32873
   29    24 S   S    _SG2    35     1.82571   111.61716   -64.70322
   30    27 S   CT   _CA3    26     1.45289   123.21701   177.12840
   31    30 S   HC   HA31    27     1.09549   107.51144   -64.61071
   32    30 S   HC   HA32    28     1.09557   107.98503    51.82959
   33    29 S   CT   _C26    36     1.82881    98.79050   178.57701
   34    33 S   F    F4__    37     1.36543   108.49800   -56.71004
   35    33 S   F    F5__    38     1.36534   108.49381    56.83181
   36    30 S   CO3  _C3_    29     1.52960   114.07395   173.82753
   37    36 S   O2Z  _O31    30     1.26377   116.06319    -0.56163
   38    36 S   O2Z  _O32    31     1.26428   114.41483   179.49915
   39    33 S   CA   _C23    39     1.50884   110.51354  -179.92087
   40    39 S   CA   _C22    40     1.40036   120.65420   -89.86959
   41    40 S   HA   _H18    41     1.08774   120.31612    -0.75641
   42    40 S   CA   _C21    42     1.39859   120.68754   179.47511
   43    42 S   HA   _H17    43     1.08730   118.24630   178.86374
   44    42 S   CA   _C20    44     1.40116   120.68616    -0.61739
   45    44 S   CA   _C25    45     1.40153   118.51494     1.22429
   46    45 S   HA   _H20    46     1.08820   120.58721   179.24697
   47    44 S   CM   _C19    49     1.47255   122.79222   178.64318
   48    47 S   HC   _H16    50     1.08734   115.17223  -149.10058
   49    39 S   CA   _C24    47     1.40010   120.64224    89.58150
   50    49 S   HA   _H19    48     1.08765   120.37004     0.51662
   51    47 S   CM   _C18    51     1.34158   124.28181    32.23848
   52    51 S   HC   _H15    52     1.08533   121.64791     0.42978
   53    51 S   CD   _C8_    53     1.49736   120.99786   179.33618
   54    53 S   CM   _C9_    54     1.49482   111.07062  -178.53807
   55    54 S   HC   _H9_    55     1.08418   117.08569   -52.45586
   56    53 S   NI   _N6_    72     1.29744   121.43065     3.19414
   57    54 S   CM   _C10    56     1.34083   119.61440   123.71849
   58    57 S   HC   _H10    57     1.08804   119.83209     0.25564
   59    56 S   NI   _N5_    73     1.39224   114.22627   176.18238
   60    57 S   CA   _C11    58     1.47160   124.52263  -178.16261
   61    59 S   CDX  _C7_    74     1.30932   112.53821   179.17813
   62    60 S   CA   _C12    59     1.40122   122.81091   -29.80220
   63    62 S   HA   _H11    60     1.08733   121.06621     0.61357
   64    61 S   NE   _N4_    75     1.37889   119.72032   179.47437
   65    64 S   H    _H8_    76     1.01537   117.60997     0.89438
   66    62 S   CA   _C13    61     1.39870   120.69181  -178.63944
   67    66 S   HA   _H12    62     1.08767   119.03046   179.81655
   68    64 S   CT   _C6_    77     1.44849   125.40645   175.17777
   69    68 S   HC   _H6_    78     1.09679   108.07320   -90.87668
   70    68 S   HC   _H7_    79     1.09603   109.38353   152.99948
   71    66 S   CA   _C14    63     1.39867   120.62335     0.12354
   72    68 S   CT   _C5_    80     1.53925   111.07716    30.28015
   73    71 S   CA   _C15    64     1.39835   118.85146     1.13574
   74    73 S   HA   _H13    65     1.08759   120.39978   178.77028
   75    71 S   CT   _C17    68     1.50131   120.54908   178.90926
   76    75 S   F    F1__    69     1.36237   113.22972    31.15717
   77    75 S   F    F2__    70     1.36236   113.23647   151.28343
   78    75 S   F    F3__    71     1.36143   112.29778   -88.77656
   79    72 S   CT   _C27    81     1.53908   108.17915   -50.75324
   80    79 S   HC   _H22    82     1.09601   110.90295   172.47916
   81    79 S   HC   _H23    83     1.09676   110.34061   -69.16348
   82    72 S   CT   _C4_    86     1.54142   110.82588    70.92919
   83    82 S   HC   _H3_    87     1.09598   110.92066   179.67615
   84    82 S   HC   _H4_    88     1.09597   110.92188    60.15567
   85    82 S   HC   _H5_    89     1.09477   112.35404   -60.08698
   86    72 S   CT   _C28    90     1.53813   109.35860  -169.77411
   87    86 S   HC   _H24    91     1.09583   111.12645   179.08828
   88    86 S   HC   _H25    92     1.09584   111.32922    59.13262
   89    86 S   HC   _H26    93     1.09583   111.12370   -60.82226
   90    60 S   CA   _C16    66     1.40163   118.66357   152.95896
   91    90 S   HA   _H14    67     1.08825   120.58817    -1.46139
   92    61 S   NE   _N7_    84     1.38138   125.05256     0.71436
   93    92 S   H    _H21    85     1.01567   117.09700    -1.01104
  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   6   5   4   3
   9   4   3   2   1   1   9   8   4   8   3   9   6   3   7   3
   1   1   7   3   8   8   4   5   8   3   7   9  11   8   4  10
   5   9   3  15   5   4   8  13   7   3   4   2   1   1  12   5
   4   8   3   2   1   4   2   1   1   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    49    50  
   35    39    40    49  
   39    40    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    49    50  
   41    42    43    44    45    49    50    47  
   42    43    44    49  
   43    44    45    46    49    47    48    51  
   44    45    47  
   45    46    49    50    47    48    51    52    53  
   46    49    50    47    48    51  
   49    50    47  
   48    51    52    53    54    56    49  
   51    52    53  
   50  
    0  
   52    53    54    55    57    56    59  
   53    54    56  
   54    55    57    58    60    56    59    61  
   55    57    58    60    62    90    56    59  
   57    58    60    56  
   59    61    64    92    57  
   58    60    62    63    66    73    90    91  
   60    62    90  
   61    64    65    68    79    92    93  
   62    63    66    67    71    73    74    90    91  
   64    65    68    69    70    72    79    80    81    92    93  
   63    66    67    71    73    90    91    75  
   66    67    71    90  
   65    68    69    70    72    79    92    93    82    86  
   68    69    70    72    92  
   67    71    73    74    90    75    76    77    78  
   71    73    75  
   69    70    72    79    80    81    92    82    83    84    85    86    87    88    89  
   70    72    79    82    86  
   72    79    82    86  
   73    74    90    91    75    76    77    78  
   79    80    81    92    93    82    83    84    85    86    87    88    89  
   74    90    91    75    76    77    78  
   90    91    75  
   76    77    78    90  
   77    78  
   78  
    0  
   80    81    92    93    82    83    84    85    86    87    88    89  
   81    92    93    82    86  
   92    93    82    86  
   83    84    85    86    87    88    89    92  
   84    85    86  
   85    86  
   86  
   87    88    89    92  
   88    89  
   89  
    0  
   91  
    0  
   93  
    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  -0.175000   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   3.2500   0.0620   0.407500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0700  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   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   0.0760  -0.118300   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.396300   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760  -0.118300   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.2800   0.1700  -0.389700   1.8540   1.6400   0.005000000   0.000000000
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.2800   0.1700  -0.359000   1.9250   1.7000   0.054801302  -2.445846770
   60   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.7500   0.1050   0.309000   2.1120   1.8750   0.001000000  -0.126889456
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.2500   0.1700  -0.604000   2.1120   1.8750   0.051222218  -2.220205820
   65   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5000   0.0660   0.029000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.2500   0.0620   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   77   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   78   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   79   3.5000   0.0660   0.029000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   91   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   92   3.2500   0.1700  -0.604000   2.1120   1.8750   0.051222218  -2.220205820
   93   0.5000   0.0300   0.410000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    49   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   469.000  1.400
   44    47   320.000  1.460
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    50   367.000  1.080
   47    48   340.000  1.080
   47    51   549.000  1.340
   51    52   340.000  1.080
   51    53   320.000  1.464
   53    54   320.000  1.464
   53    56   500.000  1.261
   54    55   340.000  1.080
   54    57   549.000  1.340
   57    58   340.000  1.080
   57    60   320.000  1.460
   60    62   469.000  1.400
   60    90   469.000  1.400
   62    63   367.000  1.080
   62    66   469.000  1.400
   66    67   367.000  1.080
   66    71   469.000  1.400
   71    73   469.000  1.400
   71    75   317.000  1.510
   73    74   367.000  1.080
   73    90   469.000  1.400
   90    91   367.000  1.080
   75    76   367.000  1.332
   75    77   367.000  1.332
   75    78   367.000  1.332
   56    59   245.000  1.410
   59    61   650.000  1.285
   61    64   445.000  1.380
   61    92   445.000  1.380
   64    65   434.000  1.010
   64    68   382.000  1.448
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    72   268.000  1.529
   72    79   268.000  1.529
   72    82   268.000  1.529
   72    86   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    92   382.000  1.448
   92    93   434.000  1.010
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    49    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    49    45    63.00000  120.00000
   39    49    50    35.00000  120.00000
   40    42    43    35.00000  120.00000
   40    42    44    63.00000  120.00000
   42    40    41    35.00000  120.00000
   42    44    45    63.00000  120.00000
   42    44    47    60.00000  120.93500
   44    42    43    35.00000  120.00000
   44    45    46    35.00000  120.00000
   44    45    49    63.00000  120.00000
   44    47    48    40.00000  117.26300
   44    47    51    60.00000  123.20500
   45    49    50    35.00000  120.00000
   49    39    40    63.00000  120.00000
   49    45    46    35.00000  120.00000
   47    44    45    60.00000  120.93500
   47    51    52    35.00000  120.00000
   47    51    53    60.00000  120.31500
   51    47    48    35.00000  120.00000
   51    53    54    65.00000  123.36000
   51    53    56    70.00000  121.86000
   53    51    52    40.00000  114.85300
   53    54    55    40.00000  114.85300
   53    54    57    60.00000  120.31500
   53    56    59    85.00000  110.74500
   54    57    58    35.00000  120.00000
   54    57    60    60.00000  123.20500
   57    54    55    35.00000  120.00000
   57    60    62    60.00000  120.93500
   57    60    90    60.00000  120.93500
   60    57    58    40.00000  117.26300
   60    62    63    35.00000  120.00000
   60    62    66    63.00000  120.00000
   60    90    73    63.00000  120.00000
   60    90    91    35.00000  120.00000
   62    66    67    35.00000  120.00000
   62    66    71    63.00000  120.00000
   66    62    63    35.00000  120.00000
   66    71    73    63.00000  120.00000
   66    71    75    70.00000  120.00000
   71    66    67    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    90    63.00000  120.00000
   71    75    76    50.00000  109.50000
   71    75    77    50.00000  109.50000
   71    75    78    50.00000  109.50000
   73    90    91    35.00000  120.00000
   90    60    62    63.00000  120.00000
   90    73    74    35.00000  120.00000
   75    71    73    70.00000  120.00000
   77    75    76    77.00000  109.10000
   78    75    76    77.00000  109.10000
   78    75    77    77.00000  109.10000
   56    53    54    70.00000  121.86000
   56    59    61   100.00000  108.00000
   59    61    64    75.00000  124.36500
   59    61    92    75.00000  124.36500
   61    64    65    35.00000  119.50000
   61    64    68    50.00000  119.50000
   61    92    79    50.00000  119.50000
   61    92    93    35.00000  119.50000
   64    68    69    35.00000  109.50000
   64    68    70    35.00000  109.50000
   64    68    72    80.00000  111.61500
   68    64    65    35.00000  112.50000
   68    72    79    58.35000  112.70000
   68    72    82    58.35000  112.70000
   68    72    86    58.35000  112.70000
   70    68    69    33.00000  107.80000
   72    68    69    37.50000  110.70000
   72    68    70    37.50000  110.70000
   72    79    80    37.50000  110.70000
   72    79    81    37.50000  110.70000
   72    79    92    80.00000  111.61500
   72    82    83    37.50000  110.70000
   72    82    84    37.50000  110.70000
   72    82    85    37.50000  110.70000
   72    86    87    37.50000  110.70000
   72    86    88    37.50000  110.70000
   72    86    89    37.50000  110.70000
   79    92    93    35.00000  112.50000
   81    79    80    33.00000  107.80000
   92    61    64    85.00000  116.27000
   92    79    80    35.00000  109.50000
   92    79    81    35.00000  109.50000
   82    72    79    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   86    72    79    58.35000  112.70000
   86    72    82    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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    39    40  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    49  -0.16000  1.0 1.0
   29    33    39    49  -0.03200 -1.0 2.0
   29    33    39    49   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    49    45   3.62500 -1.0 2.0
   33    39    49    50   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    49   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    49   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    44   3.62500 -1.0 2.0
   40    39    49    45   3.62500 -1.0 2.0
   40    39    49    50   3.62500 -1.0 2.0
   40    42   -44    45   3.62500 -1.0 2.0
   40    42    44    47   3.62500 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    44   3.62500 -1.0 2.0
   42    44    45    46   3.62500 -1.0 2.0
   42    44    45    49   3.62500 -1.0 2.0
   42    44    47    48   0.56550  1.0 3.0
   42    44    47    51   0.15800  1.0 1.0
   42    44    47    51   1.85350 -1.0 2.0
   42    44    47    51  -0.48700  1.0 3.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    47   3.62500 -1.0 2.0
   44    45   -49    39   3.62500 -1.0 2.0
   44    45    49    50   3.62500 -1.0 2.0
   44    47    51    52   7.00000 -1.0 2.0
   44    47    51    53   7.00000 -1.0 2.0
   45    44    47    48   0.56550  1.0 3.0
   45    44    47    51   0.15800  1.0 1.0
   45    44    47    51   1.85350 -1.0 2.0
   45    44    47    51  -0.48700  1.0 3.0
   46    45    49    39   3.62500 -1.0 2.0
   46    45    49    50   3.62500 -1.0 2.0
   49    39    40    41   3.62500 -1.0 2.0
   49    39   -40    42   3.62500 -1.0 2.0
   47    44    45    46   3.62500 -1.0 2.0
   47    44    45    49   3.62500 -1.0 2.0
   47    51    53    54   0.69550 -1.0 2.0
   47    51    53    56   1.09650  1.0 1.0
   47    51    53    56   0.48950 -1.0 2.0
   47    51    53    56   0.49400  1.0 3.0
   48    47    51    52   7.00000 -1.0 2.0
   48    47    51    53   7.00000 -1.0 2.0
   51    53    54    55   0.00000  1.0 1.0
   51    53    54    57   0.69550 -1.0 2.0
   51    53    56    59   6.00000 -1.0 2.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    56   1.00600 -1.0 2.0
   53    54    57    58   7.00000 -1.0 2.0
   53    54    57    60   7.00000 -1.0 2.0
   53    56    59    61   0.00000  1.0 1.0
   54    53    56    59   6.00000 -1.0 2.0
   54    57    60    62   0.15800  1.0 1.0
   54    57    60    62   1.85350 -1.0 2.0
   54    57    60    62  -0.48700  1.0 3.0
   54    57    60    90   0.15800  1.0 1.0
   54    57    60    90   1.85350 -1.0 2.0
   54    57    60    90  -0.48700  1.0 3.0
   55    54    57    58   7.00000 -1.0 2.0
   55    54    57    60   7.00000 -1.0 2.0
   57    60    62    63   3.62500 -1.0 2.0
   57    60    62    66   3.62500 -1.0 2.0
   57    60    90    73   3.62500 -1.0 2.0
   57    60    90    91   3.62500 -1.0 2.0
   58    57    60    62   0.56550  1.0 3.0
   58    57    60    90   0.56550  1.0 3.0
   60    62    66    67   3.62500 -1.0 2.0
   60    62    66    71   3.62500 -1.0 2.0
   62    60    90    73   3.62500 -1.0 2.0
   62    60    90    91   3.62500 -1.0 2.0
   62    66   -71    73   3.62500 -1.0 2.0
   62    66    71    75   3.62500 -1.0 2.0
   63    62    66    67   3.62500 -1.0 2.0
   63    62    66    71   3.62500 -1.0 2.0
   66    71    73    74   3.62500 -1.0 2.0
   66    71    73    90   3.62500 -1.0 2.0
   66    71    75    76   0.00000  1.0 1.0
   66    71    75    77   0.00000  1.0 1.0
   66    71    75    78   0.00000  1.0 1.0
   67    66    71    73   3.62500 -1.0 2.0
   67    66    71    75   3.62500 -1.0 2.0
   71    73   -90    60   3.62500 -1.0 2.0
   71    73    90    91   3.62500 -1.0 2.0
   73    71    75    76   0.00000  1.0 1.0
   73    71    75    77   0.00000  1.0 1.0
   73    71    75    78   0.00000  1.0 1.0
   74    73    90    60   3.62500 -1.0 2.0
   74    73    90    91   3.62500 -1.0 2.0
   90    60    62    63   3.62500 -1.0 2.0
   90    60   -62    66   3.62500 -1.0 2.0
   75    71    73    74   3.62500 -1.0 2.0
   75    71    73    90   3.62500 -1.0 2.0
   56    53    54    55   1.00600 -1.0 2.0
   56    53    54    57   1.09650  1.0 1.0
   56    53    54    57   0.48950 -1.0 2.0
   56    53    54    57   0.49400  1.0 3.0
   56    59    61    64   6.00000 -1.0 2.0
   56    59    61    92   6.00000 -1.0 2.0
   59    61    64    65   1.50000 -1.0 2.0
   59    61    64    68  -0.86000  1.0 1.0
   59    61    64    68   0.84650 -1.0 2.0
   59    61    92    79  -0.86000  1.0 1.0
   59    61    92    79   0.84650 -1.0 2.0
   59    61    92    93   1.50000 -1.0 2.0
   61    64    68    69   0.00000  1.0 1.0
   61    64    68    70   0.00000  1.0 1.0
   61    64    68    72   0.38950  1.0 1.0
   61    64    68    72  -0.47050 -1.0 2.0
   61    64    68    72   0.83150  1.0 3.0
   64    61    92    79   1.17450  1.0 1.0
   64    61    92    79   0.83550 -1.0 2.0
   64    61    92    93   1.00000 -1.0 2.0
   64    68   -72    79   1.26750  1.0 1.0
   64    68   -72    79  -0.00950 -1.0 2.0
   64    68   -72    79   0.30600  1.0 3.0
   64    68    72    82   1.26750  1.0 1.0
   64    68    72    82  -0.00950 -1.0 2.0
   64    68    72    82   0.30600  1.0 3.0
   64    68    72    86   1.26750  1.0 1.0
   64    68    72    86  -0.00950 -1.0 2.0
   64    68    72    86   0.30600  1.0 3.0
   65    64    68    69   0.00000  1.0 1.0
   65    64    68    70   0.00000  1.0 1.0
   65    64    68    72   0.00000  1.0 1.0
   68    72    79    80   0.15000  1.0 3.0
   68    72    79    81   0.15000  1.0 3.0
   68    72    79    92   1.26750  1.0 1.0
   68    72    79    92  -0.00950 -1.0 2.0
   68    72    79    92   0.30600  1.0 3.0
   68    72    82    83   0.15000  1.0 3.0
   68    72    82    84   0.15000  1.0 3.0
   68    72    82    85   0.15000  1.0 3.0
   68    72    86    87   0.15000  1.0 3.0
   68    72    86    88   0.15000  1.0 3.0
   68    72    86    89   0.15000  1.0 3.0
   69    68    72    79   0.15000  1.0 3.0
   69    68    72    82   0.15000  1.0 3.0
   69    68    72    86   0.15000  1.0 3.0
   70    68    72    79   0.15000  1.0 3.0
   70    68    72    82   0.15000  1.0 3.0
   70    68    72    86   0.15000  1.0 3.0
   72    79   -92    61   0.38950  1.0 1.0
   72    79   -92    61  -0.47050 -1.0 2.0
   72    79   -92    61   0.83150  1.0 3.0
   72    79    92    93   0.00000  1.0 1.0
   79    72    82    83   0.15000  1.0 3.0
   79    72    82    84   0.15000  1.0 3.0
   79    72    82    85   0.15000  1.0 3.0
   79    72    86    87   0.15000  1.0 3.0
   79    72    86    88   0.15000  1.0 3.0
   79    72    86    89   0.15000  1.0 3.0
   80    79    92    61   0.00000  1.0 1.0
   80    79    92    93   0.00000  1.0 1.0
   81    79    92    61   0.00000  1.0 1.0
   81    79    92    93   0.00000  1.0 1.0
   92    61    64    65   1.00000 -1.0 2.0
   92    61   -64    68   1.17450  1.0 1.0
   92    61   -64    68   0.83550 -1.0 2.0
   82    72    79    80   0.15000  1.0 3.0
   82    72    79    81   0.15000  1.0 3.0
   82    72    79    92   1.26750  1.0 1.0
   82    72    79    92  -0.00950 -1.0 2.0
   82    72    79    92   0.30600  1.0 3.0
   82    72    86    87   0.15000  1.0 3.0
   82    72    86    88   0.15000  1.0 3.0
   82    72    86    89   0.15000  1.0 3.0
   86    72    79    80   0.15000  1.0 3.0
   86    72    79    81   0.15000  1.0 3.0
   86    72    79    92   1.26750  1.0 1.0
   86    72    79    92  -0.00950 -1.0 2.0
   86    72    79    92   0.30600  1.0 3.0
   86    72    82    83   0.15000  1.0 3.0
   86    72    82    84   0.15000  1.0 3.0
   86    72    82    85   0.15000  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
   37    30    36    38  10.50000 -1.0 2.0
   40    49    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
   45    47    44    42   4.00000 -1.0 2.0
   49    46    45    44   1.10000 -1.0 2.0
   45    50    49    39   1.10000 -1.0 2.0
   44    48    47    51  15.00000 -1.0 2.0
   53    52    51    47  15.00000 -1.0 2.0
   51    54    53    56  10.50000 -1.0 2.0
   53    55    54    57  15.00000 -1.0 2.0
   60    58    57    54  15.00000 -1.0 2.0
   62    90    60    57   4.00000 -1.0 2.0
   66    63    62    60   1.10000 -1.0 2.0
   71    67    66    62   1.10000 -1.0 2.0
   73    75    71    66   4.00000 -1.0 2.0
   90    74    73    71   1.10000 -1.0 2.0
   73    91    90    60   1.10000 -1.0 2.0
   64    92    61    59  10.50000 -1.0 2.0
   65    61    64    68   1.00000 -1.0 2.0
   93    61    92    79   1.00000 -1.0 2.0
END
