* LIGAND DATABASE FILE (OPLS2005)
*
001      97    98    169    220     462
    1     0 S   NP   _N1_     1    29.15500    98.20407   -21.71196
    2     1 S   H    _HN1     2     1.02834    49.92270   157.40537
    3     1 S   H    _H1_     3     1.02795    99.33417   -97.09655
    4     1 S   H    _H2_     4     1.02947    63.34553     8.78982
    5     1 S   CT   _CA1     5     1.50108   147.80036    95.23619
    6     5 S   HC   _HA1     6     1.09576   105.19202   105.85117
    7     5 S   CO3  _C1_     7     1.53707   112.22952   -14.37124
    8     7 S   O2Z  _O11     8     1.26375   115.02352   -48.59828
    9     7 S   O2Z  _O12     9     1.26212   114.91305   130.26225
   10     5 S   CT   _CB1    10     1.53032   107.39596  -136.27649
   11    10 S   HC   HB11    11     1.09844   109.33834   -49.76090
   12    10 S   HC   HB12    12     1.09810   110.52344    66.80284
   13    10 S   CT   _CG1    13     1.53029   112.63244  -170.66529
   14    13 S   HC   HG11    14     1.09561   110.74233   -67.16193
   15    13 S   HC   HG12    15     1.09655   109.74105    52.10941
   16    13 S   C    _CD1    16     1.51828   111.71003   172.76416
   17    16 S   O    _OE1    17     1.22766   123.04950    15.79038
   18    16 S   N    _N2_    18     1.38593   111.98283  -164.80062
   19    18 S   H    _HN2    19     1.01565   119.01062     1.73111
   20    18 S   CT1  _CA2    20     1.46190   123.26117   177.35751
   21    20 S   HC   _HA2    21     1.09741   109.28405    -2.38655
   22    20 S   C    _C2_    22     1.53495   108.41427  -117.65198
   23    22 S   O    _O2_    23     1.23035   122.33217  -148.44074
   24    20 S   CT   _CB2    32     1.53292   111.95892   119.64709
   25    24 S   HC   HB21    33     1.09472   110.70706    60.05004
   26    24 S   HC   HB22    34     1.09563   110.01949   177.60004
   27    22 S   N    _N3_    24     1.38347   113.55558    38.96745
   28    27 S   H    _HN3    25     1.01606   119.49286    -3.32172
   29    24 S   S    _SG2    35     1.82850   111.66886   -64.21771
   30    27 S   CT   _CA3    26     1.45275   123.28031   177.17985
   31    30 S   HC   HA31    27     1.09547   107.50923   -64.78482
   32    30 S   HC   HA32    28     1.09555   107.99765    51.67022
   33    29 S   CT   _C11    36     1.84583   100.71110   125.47759
   34    33 S   HC   _H3_    37     1.09503   105.04182    47.95195
   35    30 S   CO3  _C3_    29     1.52971   114.03047   173.66290
   36    35 S   O2Z  _O31    30     1.26384   116.05102    -0.77101
   37    35 S   O2Z  _O32    31     1.26420   114.42595   179.29612
   38    33 S   CA   _C10    38     1.53404   110.02623   164.96902
   39    33 S   CT   _C12    65     1.54042   111.98071   -67.82287
   40    39 S   HC   _H8_    66     1.09132   111.44023   -59.17103
   41    39 S   HC   _H9_    67     1.09545   111.55965    59.08480
   42    38 S   CA   _C5_    39     1.41637   122.61187    69.48866
   43    39 S   CO4  _C13    68     1.51895   110.70364   176.64275
   44    43 S   O    _O34    69     1.22859   122.20091   -63.56367
   45    42 S   CA   _C6_    40     1.40640   120.53595   178.35765
   46    45 S   HA   _H7_    41     1.08398   119.50780   178.34554
   47    42 S   OS   _O33    60     1.37328   116.54765    -3.02595
   48    43 S   CA   _C14    70     1.48221   118.84957   112.51475
   49    45 S   CA   _C7_    42     1.39695   121.03258    -1.42285
   50    47 S   CT   _C4_    61     1.42208   117.88981   165.57190
   51    50 S   HC   _H4_    62     1.09432   107.64923  -170.49308
   52    50 S   HC   _H5_    63     1.09443   110.86029    72.03317
   53    50 S   HC   _H6_    64     1.09522   111.47824   -52.63107
   54    48 S   CA   _C15    71     1.40375   119.41414  -127.55454
   55    49 S   CA   _C8_    43     1.39742   118.76997     0.38155
   56    49 S   OS   _O42    55     1.37087   125.21255  -179.42054
   57    54 S   CA   _C16    72     1.39876   120.05314   176.76118
   58    54 S   OH   _O39    96     1.37028   122.36966    -2.69123
   59    58 S   HO   _H22    97     0.97318   109.44329    -9.16924
   60    38 S   CA   _C9_    44     1.41054   119.67044  -111.68441
   61    55 S   OS   _O41    50     1.37472   119.27266   179.79923
   62    56 S   CT   _C26    56     1.42206   117.38279     1.36128
   63    62 S   HC   _H29    57     1.09426   107.73634   178.93284
   64    62 S   HC   _H30    58     1.09497   111.19629    61.20721
   65    62 S   HC   _H31    59     1.09489   111.09886   -63.36676
   66    57 S   CA   _C17    73     1.39775   120.13838     2.88717
   67    57 S   OS   _O38    91     1.37234   120.27989   179.35411
   68    60 S   OS   _O40    45     1.37511   119.65431     0.36584
   69    61 S   CT   _C25    51     1.42830   110.15305    94.45789
   70    69 S   HC   _H26    52     1.09403   107.76425  -176.62670
   71    69 S   HC   _H27    53     1.09505   111.20768    65.23567
   72    69 S   HC   _H28    54     1.09551   111.44739   -58.31707
   73    66 S   CA   _C18    74     1.39756   119.90085    -3.35766
   74    66 S   OS   _O37    86     1.37152   119.87872  -179.82196
   75    67 S   CT   _C23    92     1.42778   110.12445    88.59360
   76    75 S   HC   _H19    93     1.09400   107.82268   174.91789
   77    75 S   HC   _H20    94     1.09572   111.57408    56.45498
   78    75 S   HC   _H21    95     1.09419   111.01980   -67.01593
   79    68 S   CT   _C24    46     1.42882   110.45483   100.90063
   80    79 S   HC   _H23    47     1.09405   107.71412  -170.99776
   81    79 S   HC   _H24    48     1.09454   111.18248    70.92118
   82    79 S   HC   _H25    49     1.09551   111.64279   -52.62562
   83    48 S   CA   _C19    75     1.40256   120.96605    52.37786
   84    73 S   OS   _O36    81     1.37154   119.59346  -179.28290
   85    74 S   CT   _C22    87     1.42791   110.09114   -93.16220
   86    85 S   HC   _H16    88     1.09405   107.79194   179.31959
   87    85 S   HC   _H17    89     1.09551   111.28482    61.05722
   88    85 S   HC   _H18    90     1.09539   111.31501   -62.40880
   89    83 S   OS   _O35    76     1.37147   120.37237     1.92132
   90    84 S   CT   _C21    82     1.42773   110.05521    93.96806
   91    90 S   HC   _H13    83     1.09388   107.83005   179.07423
   92    90 S   HC   _H14    84     1.09490   111.35759    60.55892
   93    90 S   HC   _H15    85     1.09550   111.12040   -62.68942
   94    89 S   CT   _C20    77     1.42772   110.57019    96.55672
   95    94 S   HC   _H10    78     1.09409   107.75133  -174.33047
   96    94 S   HC   _H11    79     1.09485   111.21531    67.42116
   97    94 S   HC   _H12    80     1.09568   111.40727   -56.08180
  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
  14   7   2   1   1  15   9   4   3  12   8   3   9   4   6  11
  10   3   2   1   1  10  10   6  13   4   1   7   5   3   2   1
   1  12   6   4   3   2   1   1  10   6   3   2   1   1   3   2
   1   1   7   5   3   2   1   1   4   3   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    60    39    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    45    55    60    68    47    39    40    41    43    44    48  
   38    42    60    39    40    41    43  
   36    37  
   37  
    0  
   42    45    46    49    55    60    68    79    61    47    50    39    40    41    43  
   40    41    43    44    48    54    83    42    60  
   41    43    44    48  
   43    44    48  
   45    46    49    55    60    68    56    47    50    51    52    53  
   44    48    54    57    73    83    89    58  
   48    54    83  
   46    49    55    60    61    56    62    47    50  
   49    55    56    47  
   50    51    52    53    49    60  
   54    57    66    73    83    89    94    84    67    58    59  
   55    60    68    61    69    56    62    63    64    65  
   51    52    53  
   52    53  
   53  
    0  
   57    66    73    83    89    74    67    75    58    59  
   60    68    79    61    69    70    71    72    56    62  
   62    63    64    65    60    61  
   66    73    83    84    74    85    67    75    76    77    78    58    59  
   59    66    67    83  
    0  
   68    79    80    81    82    61    69  
   69    70    71    72    68  
   63    64    65  
   64    65  
   65  
    0  
   73    83    89    84    90    74    85    86    87    88    67    75  
   75    76    77    78    73    74  
   79    80    81    82  
   70    71    72  
   71    72  
   72  
    0  
   83    89    94    84    90    91    92    93    74    85  
   85    86    87    88    83    84  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82  
   81    82  
   82  
    0  
   89    94    95    96    97    84    90  
   90    91    92    93    89  
   86    87    88  
   87    88  
   88  
    0  
   94    95    96    97  
   91    92    93  
   92    93  
   93  
    0  
   95    96    97  
   96    97  
   97  
    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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   56   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   61   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   67   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   68   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   84   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   85   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   89   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   90   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.030000   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    39   268.000  1.529
   38    42   469.000  1.400
   38    60   469.000  1.400
   42    45   469.000  1.400
   42    47   450.000  1.364
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    55   469.000  1.400
   49    56   450.000  1.364
   55    60   469.000  1.400
   55    61   450.000  1.364
   60    68   450.000  1.364
   68    79   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   61    69   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   56    62   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   47    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    43   317.000  1.522
   43    44   570.000  1.229
   43    48   310.000  1.470
   48    54   469.000  1.400
   48    83   469.000  1.400
   54    57   469.000  1.400
   54    58   450.000  1.364
   57    66   469.000  1.400
   57    67   450.000  1.364
   66    73   469.000  1.400
   66    74   450.000  1.364
   73    83   469.000  1.400
   73    84   450.000  1.364
   83    89   450.000  1.364
   89    94   320.000  1.410
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   84    90   320.000  1.410
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   74    85   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   67    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   58    59   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    60    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    43    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    45    63.00000  120.00000
   38    42    47    70.00000  120.00000
   38    60    55    63.00000  120.00000
   38    60    68    70.00000  120.00000
   42    45    46    35.00000  120.00000
   42    45    49    63.00000  120.00000
   42    47    50    75.00000  111.00000
   45    49    55    63.00000  120.00000
   45    49    56    70.00000  120.00000
   49    45    46    35.00000  120.00000
   49    55    60    63.00000  120.00000
   49    55    61    70.00000  120.00000
   49    56    62    75.00000  111.00000
   55    60    68    70.00000  120.00000
   55    61    69    75.00000  111.00000
   60    38    42    63.00000  120.00000
   60    68    79    75.00000  111.00000
   68    79    80    35.00000  109.50000
   68    79    81    35.00000  109.50000
   68    79    82    35.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   61    55    60    70.00000  120.00000
   61    69    70    35.00000  109.50000
   61    69    71    35.00000  109.50000
   61    69    72    35.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   56    49    55    70.00000  120.00000
   56    62    63    35.00000  109.50000
   56    62    64    35.00000  109.50000
   56    62    65    35.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   47    42    45    70.00000  120.00000
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    53    35.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    43    44    80.00000  120.40000
   39    43    48    65.00000  115.47100
   41    39    40    33.00000  107.80000
   43    39    40    35.00000  109.50000
   43    39    41    35.00000  109.50000
   43    48    54    60.00000  119.52600
   43    48    83    60.00000  119.52600
   48    43    44    75.00000  123.78400
   48    54    57    63.00000  120.00000
   48    54    58    70.00000  120.00000
   48    83    73    63.00000  120.00000
   48    83    89    70.00000  120.00000
   54    57    66    63.00000  120.00000
   54    57    67    70.00000  120.00000
   54    58    59    35.00000  113.00000
   57    66    73    63.00000  120.00000
   57    66    74    70.00000  120.00000
   57    67    75    75.00000  111.00000
   66    73    83    63.00000  120.00000
   66    73    84    70.00000  120.00000
   66    74    85    75.00000  111.00000
   73    83    89    70.00000  120.00000
   73    84    90    75.00000  111.00000
   83    48    54    63.00000  120.00000
   83    89    94    75.00000  111.00000
   89    94    95    35.00000  109.50000
   89    94    96    35.00000  109.50000
   89    94    97    35.00000  109.50000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   84    73    83    70.00000  120.00000
   84    90    91    35.00000  109.50000
   84    90    92    35.00000  109.50000
   84    90    93    35.00000  109.50000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   74    66    73    70.00000  120.00000
   74    85    86    35.00000  109.50000
   74    85    87    35.00000  109.50000
   74    85    88    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   67    57    66    70.00000  120.00000
   67    75    76    35.00000  109.50000
   67    75    77    35.00000  109.50000
   67    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   58    54    57    70.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    60  -0.16000  1.0 1.0
   29    33    38    60  -0.03200 -1.0 2.0
   29    33    38    60   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    42    45   3.62500 -1.0 2.0
   33    38    42    47   3.62500 -1.0 2.0
   33    38    60    55   3.62500 -1.0 2.0
   33    38    60    68   3.62500 -1.0 2.0
   33    39    43    44   0.30150 -1.0 2.0
   33    39    43    48   0.05850 -1.0 2.0
   33    39    43    48   0.17250  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    60   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    43  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    43   0.56750  1.0 1.0
   38    33    39    43  -0.07550 -1.0 2.0
   38    33    39    43   0.20000  1.0 3.0
   38    42    45    46   3.62500 -1.0 2.0
   38    42    45    49   3.62500 -1.0 2.0
   38    42    47    50   1.63200 -1.0 2.0
   38    60    68    79   1.63200 -1.0 2.0
   42    38    60    55   3.62500 -1.0 2.0
   42    38    60    68   3.62500 -1.0 2.0
   42    45   -49    55   3.62500 -1.0 2.0
   42    45    49    56   3.62500 -1.0 2.0
   42    47    50    51   0.08050  1.0 3.0
   42    47    50    52   0.08050  1.0 3.0
   42    47    50    53   0.08050  1.0 3.0
   45    42    47    50   1.63200 -1.0 2.0
   45    49    55    60   3.62500 -1.0 2.0
   45    49    55    61   3.62500 -1.0 2.0
   45    49    56    62   1.63200 -1.0 2.0
   46    45    49    55   3.62500 -1.0 2.0
   46    45    49    56   3.62500 -1.0 2.0
   49    55   -60    38   3.62500 -1.0 2.0
   49    55    60    68   3.62500 -1.0 2.0
   49    55    61    69   1.63200 -1.0 2.0
   49    56    62    63   0.08050  1.0 3.0
   49    56    62    64   0.08050  1.0 3.0
   49    56    62    65   0.08050  1.0 3.0
   55    49    56    62   1.63200 -1.0 2.0
   55    60    68    79   1.63200 -1.0 2.0
   55    61    69    70   0.08050  1.0 3.0
   55    61    69    71   0.08050  1.0 3.0
   55    61    69    72   0.08050  1.0 3.0
   60    38   -42    45   3.62500 -1.0 2.0
   60    38    42    47   3.62500 -1.0 2.0
   60    55    61    69   1.63200 -1.0 2.0
   60    68    79    80   0.08050  1.0 3.0
   60    68    79    81   0.08050  1.0 3.0
   60    68    79    82   0.08050  1.0 3.0
   61    55    60    38   3.62500 -1.0 2.0
   61    55    60    68   3.62500 -1.0 2.0
   56    49    55    60   3.62500 -1.0 2.0
   56    49    55    61   3.62500 -1.0 2.0
   47    42    45    46   3.62500 -1.0 2.0
   47    42    45    49   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    60   0.04150 -1.0 2.0
   39    43    48    54   2.26350  1.0 1.0
   39    43    48    54   0.76750 -1.0 2.0
   39    43    48    54   0.22500  1.0 3.0
   39    43    48    83   2.26350  1.0 1.0
   39    43    48    83   0.76750 -1.0 2.0
   39    43    48    83   0.22500  1.0 3.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    43    48   0.00000  1.0 1.0
   41    39    43    44   0.00000  1.0 1.0
   41    39    43    48   0.00000  1.0 1.0
   43    48    54    57   3.62500 -1.0 2.0
   43    48    54    58   3.62500 -1.0 2.0
   43    48    83    73   3.62500 -1.0 2.0
   43    48    83    89   3.62500 -1.0 2.0
   44    43    48    54   1.05000 -1.0 2.0
   44    43    48    83   1.05000 -1.0 2.0
   48    54    57    66   3.62500 -1.0 2.0
   48    54    57    67   3.62500 -1.0 2.0
   48    54    58    59   0.84100 -1.0 2.0
   48    83    89    94   1.63200 -1.0 2.0
   54    48    83    73   3.62500 -1.0 2.0
   54    48    83    89   3.62500 -1.0 2.0
   54    57   -66    73   3.62500 -1.0 2.0
   54    57    66    74   3.62500 -1.0 2.0
   54    57    67    75   1.63200 -1.0 2.0
   57    54    58    59   0.84100 -1.0 2.0
   57    66    73    83   3.62500 -1.0 2.0
   57    66    73    84   3.62500 -1.0 2.0
   57    66    74    85   1.63200 -1.0 2.0
   57    67    75    76   0.08050  1.0 3.0
   57    67    75    77   0.08050  1.0 3.0
   57    67    75    78   0.08050  1.0 3.0
   66    57    67    75   1.63200 -1.0 2.0
   66    73   -83    48   3.62500 -1.0 2.0
   66    73    83    89   3.62500 -1.0 2.0
   66    73    84    90   1.63200 -1.0 2.0
   66    74    85    86   0.08050  1.0 3.0
   66    74    85    87   0.08050  1.0 3.0
   66    74    85    88   0.08050  1.0 3.0
   73    66    74    85   1.63200 -1.0 2.0
   73    83    89    94   1.63200 -1.0 2.0
   73    84    90    91   0.08050  1.0 3.0
   73    84    90    92   0.08050  1.0 3.0
   73    84    90    93   0.08050  1.0 3.0
   83    48   -54    57   3.62500 -1.0 2.0
   83    48    54    58   3.62500 -1.0 2.0
   83    73    84    90   1.63200 -1.0 2.0
   83    89    94    95   0.08050  1.0 3.0
   83    89    94    96   0.08050  1.0 3.0
   83    89    94    97   0.08050  1.0 3.0
   84    73    83    48   3.62500 -1.0 2.0
   84    73    83    89   3.62500 -1.0 2.0
   74    66    73    83   3.62500 -1.0 2.0
   74    66    73    84   3.62500 -1.0 2.0
   67    57    66    73   3.62500 -1.0 2.0
   67    57    66    74   3.62500 -1.0 2.0
   58    54    57    66   3.62500 -1.0 2.0
   58    54    57    67   3.62500 -1.0 2.0
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
   42    60    38    33   4.00000 -1.0 2.0
   45    47    42    38   4.00000 -1.0 2.0
   49    46    45    42   1.10000 -1.0 2.0
   55    56    49    45   4.00000 -1.0 2.0
   60    61    55    49   4.00000 -1.0 2.0
   55    68    60    38   4.00000 -1.0 2.0
   39    48    43    44  10.50000 -1.0 2.0
   54    83    48    43   4.00000 -1.0 2.0
   57    58    54    48   4.00000 -1.0 2.0
   66    67    57    54   4.00000 -1.0 2.0
   73    74    66    57   4.00000 -1.0 2.0
   83    84    73    66   4.00000 -1.0 2.0
   73    89    83    48   4.00000 -1.0 2.0
END
