* LIGAND DATABASE FILE (OPLS2005)
*
001      93    96    169    266     484
    1     0 S   NP   _N1_     1    29.01762    94.84044   -18.60782
    2     1 S   H    _HN1     2     1.02792    69.53343   -82.63364
    3     1 S   H    _H1_     3     1.02881   101.42174    22.67250
    4     1 S   H    _H2_     4     1.02943    42.95936   125.91998
    5     1 S   CT   _CA1     5     1.50408   144.03026   177.69650
    6     5 S   HC   _HA1     6     1.09687   104.80214    27.97905
    7     5 S   CO3  _C1_     7     1.54423   110.84530   -88.36822
    8     7 S   O2Z  _O11     8     1.26101   116.59376  -111.43191
    9     7 S   O2Z  _O12     9     1.26517   113.75519    67.24824
   10     5 S   CT   _CB1    10     1.53033   107.07501   144.05428
   11    10 S   HC   HB11    11     1.09823   110.02815   -45.25373
   12    10 S   HC   HB12    12     1.09807   110.12962    71.37766
   13    10 S   CT   _CG1    13     1.53034   112.23166  -166.02167
   14    13 S   HC   HG11    14     1.09461   110.50275   -50.78555
   15    13 S   HC   HG12    15     1.09597   110.32204    68.08333
   16    13 S   C    _CD1    16     1.51682   111.48454  -171.92010
   17    16 S   O    _OE1    17     1.22771   122.96593   -25.17281
   18    16 S   N    _N2_    18     1.38424   111.92452   155.46336
   19    18 S   H    _HN2    19     1.01537   119.12467     2.65233
   20    18 S   CT1  _CA2    20     1.46051   123.47865  -173.79281
   21    20 S   HC   _HA2    21     1.09717   109.52016   -16.98945
   22    20 S   C    _C2_    22     1.53239   108.30681  -133.19358
   23    22 S   O    _O2_    23     1.23021   122.28027  -145.10605
   24    20 S   CT   _CB2    32     1.53599   111.04366   105.12111
   25    24 S   HC   HB21    33     1.09314   108.72109    55.14805
   26    24 S   HC   HB22    34     1.09215   110.33035   173.06291
   27    22 S   N    _N3_    24     1.38481   113.36840    42.23068
   28    27 S   H    _HN3    25     1.01533   118.98467    -0.52526
   29    24 S   S    _SG2    35     1.83000   111.54422   -65.26712
   30    27 S   CT   _CA3    26     1.45381   123.00996   174.89811
   31    30 S   HC   HA31    27     1.09555   108.68999    34.05258
   32    30 S   HC   HA32    28     1.09478   107.25181   151.00024
   33    29 S   CT   _C14    36     1.89236   102.99572  -170.23517
   34    30 S   CO3  _C3_    29     1.52991   113.49878   -88.99126
   35    34 S   O2Z  _O31    30     1.26372   115.62946   -38.80478
   36    34 S   O2Z  _O32    31     1.26386   114.81104   142.04743
   37    33 S   CT   _C15    37     1.56404   111.33404   -39.58192
   38    37 S   HC   _H13    38     1.09523   110.70508    64.60565
   39    37 S   HC   _H14    39     1.09420   110.50513  -179.81977
   40    33 S   CT   _C16    73     1.56621   107.71814    79.32013
   41    40 S   HC   _H15    74     1.09522   109.16186   -67.58654
   42    40 S   HC   _H16    75     1.09548   110.10794   179.25954
   43    37 S   S    _S2_    40     1.83513   116.50562   -57.97281
   44    40 S   NE   _N9_    76     1.45408   115.49003    56.69876
   45    43 S   C4T  _C11    41     1.81514    97.34335   -54.54695
   46    45 S   HC   _H4_    42     1.09534   114.06767   -79.79549
   47    44 S   CM   _C17    77     1.37806   129.62994    75.94983
   48    47 S   HC   _H17    78     1.07612   121.53328    -4.72771
   49    45 S   C4T  _C10    43     1.55535   117.48181   143.12638
   50    49 S   HC   _H3_    44     1.09711   113.49173   135.94679
   51    45 S   N4   _N8_    47     1.45225   109.02412    46.70493
   52    47 S   CM   _C18    79     1.34303   111.08382   174.15923
   53    52 S   HC   _H18    80     1.07771   127.27361  -179.50032
   54    49 S   C4   _C12    45     1.55378    85.20030  -112.19092
   55    54 S   O    _O35    46     1.20899   136.60459  -178.91339
   56    33 S   CT1  _C13    48     1.56904   106.02776  -158.95874
   57    56 S   HC   _H5_    49     1.09911   108.81832   -45.34780
   58    49 S   N    _N7_    53     1.47741   119.44458     2.30698
   59    58 S   H    _H12    54     1.02139   119.53440  -106.90701
   60    52 S   CG   _C19    81     1.48638   106.81011    -1.78564
   61    56 S   CO3  _C22    50     1.55316   119.05179  -165.56842
   62    61 S   O2Z  _O38    51     1.26039   116.64100   -25.52252
   63    61 S   O2Z  _O37    52     1.26568   114.39255   154.99534
   64    58 S   C    _C9_    55     1.37940   122.67004    77.49852
   65    64 S   O    _O34    56     1.22101   128.26035    -2.86614
   66    44 S   NG   _N10    82     1.46357   123.25365  -113.74743
   67    60 S   NG   _N11    91     1.31817   120.95100  -178.49728
   68    67 S   H    _H24    92     1.01310   120.89859    -0.93628
   69    67 S   H    _H25    93     1.01303   120.41576   177.79362
   70    64 S   CD   _C5_    57     1.50674   112.90497   176.76796
   71    66 S   CT   _C20    83     1.46514   127.69262     3.63001
   72    71 S   HC   _H19    84     1.08767   109.56264    30.45350
   73    71 S   HC   _H20    85     1.09547   108.71164   147.52639
   74    70 S   C5B  _C6_    58     1.45307   120.21368    82.31017
   75    70 S   NI   _N4_    67     1.29830   121.44806   -97.49959
   76    71 S   CT   _C21    86     1.51980   109.67601   -91.01206
   77    76 S   HC   _H21    87     1.09432   111.49533    47.79241
   78    76 S   HC   _H22    88     1.09426   109.97133   168.97359
   79    74 S   C5A  _C7_    59     1.38222   125.33105  -174.21094
   80    79 S   HA   _H9_    60     1.08121   128.74373    -0.09691
   81    75 S   OS   _O33    68     1.40172   111.45637     0.55813
   82    76 S   OH   _O36    89     1.42288   109.53727   -72.60579
   83    82 S   HO   _H23    90     0.97299   106.99028  -179.51141
   84    79 S   SA   _S1_    61     1.71090   110.20572   179.36913
   85    81 S   CT   _C4_    69     1.41947   108.10578   176.07754
   86    85 S   HC   _H6_    70     1.09315   108.46584   179.78971
   87    85 S   HC   _H7_    71     1.09443   110.35771    60.76815
   88    85 S   HC   _H8_    72     1.09429   110.35882   -61.21409
   89    84 S   CRA  _C8_    62     1.72216    89.89245     0.42704
   90    74 S   N5B  _N5_    63     1.38723   120.36462     5.23768
   91    89 S   NE   _N6_    64     1.34628   120.34291   179.90721
   92    91 S   H    _H10    65     1.01438   121.45531  -179.09561
   93    91 S   H    _H11    66     1.01439   122.14366    -0.56163
  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  13   5   4   3
  18   2   1   1  14   5   4  14   5   4   8  12  12   6   7   4
  10   6   8   7   3   7   2   4   3   6   3   8   2   1   1   7
   3  10   3   1   1   9   7   5   4   8   7   4   3   2   5   3
   4   1   1   5   3   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    51    56    57    61    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    45    54    51    56    57    61    62    63    40    41    42    44    47    66  
   35    36  
   36  
    0  
   38    39    43    45    46    49    51    56    57    61    40    41    42    44  
   39    43    45    56    40  
   43    45    56    40  
   41    42    44    47    48    52    60    66    71    43    51    56    57    61  
   42    44    47    66    56  
   44    47    66    56  
   45    46    49    50    54    51    56    58  
   47    48    52    53    60    66    71    72    73    76    67    56  
   46    49    50    54    55    51    56    57    61    58    59    64  
   49    50    54    51    56    58  
   48    52    53    60    66    71    67  
   52    53    60    66  
   50    54    55    51    56    58    59    64    65    70  
   54    55    51    58    59    64  
   56    57    61    62    63    58    54    55  
   53    60    66    71    67    68    69  
   60    66    67  
   55    56    57    61    58    59    64  
   56    58  
   57    61    62    63  
   61    62    63  
   59    64    65    70    74    75  
   64    65    70  
   66    71    72    73    76    67    68    69  
   62    63  
   63  
    0  
   65    70    74    79    90    75    81  
   70    74    75  
   71    72    73    76    77    78    82    67    68    69  
   68    69    71  
   69  
    0  
   74    79    80    84    89    90    75    81    85  
   72    73    76    77    78    82    83  
   73    76    77    78    82  
   76    77    78    82  
   79    80    84    89    90    91    75    81  
   81    85    86    87    88    79    90  
   77    78    82    83  
   78    82    83  
   82    83  
   80    84    89    90    91  
   84    89    90  
   85    86    87    88  
   83  
    0  
   89    90    91    92    93  
   86    87    88  
   87    88  
   88  
    0  
   90    91    92    93  
   91    92    93  
   92    93  
   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  -0.335000   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.2500   0.1700  -0.253300   1.9050   1.6860   0.051222218  -2.220205820
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0760  -0.097000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   56   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   59   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   60   2.2500   0.0500   0.385300   2.0020   1.7750   0.023028004  -0.852763146
   61   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   64   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   66   3.2500   0.1700   0.270800   1.9050   1.6860   0.051222218  -2.220205820
   67   3.2500   0.1700  -0.747100   2.2900   2.0360   0.003973653   1.685851020
   68   0.0000   0.0000   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   69   0.0000   0.0000   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5000   0.0660   0.051000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   75   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   76   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   81   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   85   3.5000   0.0660   0.042500   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   90   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   91   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   92   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   93   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    56   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   222.000  1.810
   43    45   200.000  1.824
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    51   305.000  1.456
   49    50   340.000  1.090
   49    54   250.000  1.540
   49    58   337.000  1.449
   54    55   930.000  1.212
   54    51   440.000  1.369
   51    56   337.000  1.449
   56    57   340.000  1.090
   56    61   317.000  1.522
   61    62   656.000  1.250
   61    63   656.000  1.250
   58    59   434.000  1.010
   58    64   490.000  1.335
   64    65   570.000  1.229
   64    70   270.000  1.486
   70    74   305.000  1.466
   70    75   500.000  1.261
   74    79   520.000  1.370
   74    90   410.000  1.394
   79    80   367.000  1.080
   79    84   265.000  1.745
   84    89   250.000  1.765
   89    90   488.000  1.335
   89    91   420.000  1.385
   91    92   434.000  1.010
   91    93   434.000  1.010
   75    81   320.000  1.394
   81    85   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   382.000  1.448
   44    47   425.000  1.378
   44    66   255.000  1.385
   47    48   340.000  1.080
   47    52   549.000  1.340
   52    53   340.000  1.080
   52    60   400.000  1.403
   60    66   481.000  1.340
   60    67   481.000  1.340
   66    71   337.000  1.463
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    82   320.000  1.410
   82    83   553.000  0.945
   67    68   434.000  1.010
   67    69   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    56    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    75.00000  111.63000
   33    56    51    80.00000  109.70000
   33    56    57    37.50000  110.70000
   33    56    61    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    80.00000  111.61500
   37    43    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    45.00000  109.41400
   43    45    49    65.00000  119.05700
   43    45    51    80.00000  108.62000
   45    49    50    37.50000  110.70000
   45    49    54   100.00000   86.36000
   45    49    58    80.00000  110.05700
   45    51    54   100.00000   93.00000
   45    51    56    50.00000  132.70000
   49    45    46    37.50000  110.70000
   49    54    55    60.00000  136.58000
   49    54    51    95.00000   92.72400
   49    58    59    38.00000  118.40000
   49    58    64    50.00000  121.90000
   54    49    50    40.00000  113.37500
   54    51    56    50.00000  132.10000
   51    45    46    50.00000  112.01000
   51    45    49   105.00000   87.49700
   51    54    55    75.00000  131.60000
   51    56    57    35.00000  109.50000
   51    56    61    63.00000  110.10000
   56    33    37    58.35000  112.70000
   56    61    62    70.00000  117.00000
   56    61    63    70.00000  117.00000
   61    56    57    35.00000  109.50000
   63    61    62    80.00000  126.00000
   58    49    50    50.00000  112.01000
   58    49    54    75.00000  110.24000
   58    64    65    80.00000  122.90000
   58    64    70    75.00000  109.57000
   64    58    59    35.00000  119.80000
   64    70    74    75.00000  114.44000
   64    70    75    65.00000  123.79500
   70    64    65    80.00000  120.45000
   70    74    79    60.00000  121.09900
   70    74    90    60.00000  126.00000
   70    75    81   100.00000  109.52600
   74    79    80    35.00000  130.70000
   74    79    84    80.00000  111.29200
   74    90    89    70.00000  110.00000
   79    84    89   120.00000   89.04400
   84    79    80    40.00000  122.38200
   84    89    90    80.00000  114.57700
   84    89    91    70.00000  122.29500
   89    91    92    35.00000  113.50000
   89    91    93    35.00000  113.50000
   90    74    79    70.00000  111.00000
   91    89    90    75.00000  125.31200
   93    91    92    35.00000  109.00000
   75    70    74    65.00000  124.33800
   75    81    85   110.00000  106.71400
   81    85    86    35.00000  109.50000
   81    85    87    35.00000  109.50000
   81    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
   40    33    37    58.35000  112.70000
   40    33    56    58.35000  112.70000
   40    44    47    50.00000  121.00000
   40    44    66    90.00000  111.48000
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    47    48    50.00000  112.30800
   44    47    52    70.00000  124.03900
   44    66    60    80.00000  117.76000
   44    66    71    95.00000  111.84000
   47    52    53    35.00000  120.00000
   47    52    60    65.00000  121.68800
   52    47    48    35.00000  120.00000
   52    60    66    70.00000  121.25000
   52    60    67    70.00000  121.25000
   60    52    53    40.00000  116.17200
   60    66    71    50.00000  123.20000
   60    67    68    35.00000  120.00000
   60    67    69    35.00000  120.00000
   66    44    47    85.00000  113.08000
   66    71    72    35.00000  109.50000
   66    71    73    35.00000  109.50000
   66    71    76    80.00000  111.20000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    82    50.00000  109.50000
   73    71    72    33.00000  107.80000
   76    71    72    37.50000  110.70000
   76    71    73    37.50000  110.70000
   76    82    83    55.00000  108.50000
   78    76    77    33.00000  107.80000
   82    76    77    35.00000  109.50000
   82    76    78    35.00000  109.50000
   67    60    66    70.00000  120.00000
   69    67    68    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    56    51   0.71400  1.0 1.0
   29    33    56    51   0.04300 -1.0 2.0
   29    33    56    51   0.01450  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    61  -2.17200  1.0 1.0
   29    33    56    61  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   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
   33    37    43    45  -0.25000 -1.0 2.0
   33    37    43    45  -0.01800  1.0 3.0
   33    56    61    62   0.00000  1.0 1.0
   33    56    61    63   0.00000  1.0 1.0
   33    40    44    47   0.25450  1.0 1.0
   33    40    44    47  -0.61700 -1.0 2.0
   33    40    44    47  -0.23550  1.0 3.0
   33    40    44    66  -0.50000 -1.0 2.0
   37    33    56    51   0.42250  1.0 1.0
   37    33    56    51  -0.48100 -1.0 2.0
   37    33    56    51   0.35650  1.0 3.0
   37    33    56    57   0.15000  1.0 3.0
   37    33    56    61  -0.84850  1.0 1.0
   37    33    56    61  -0.22800 -1.0 2.0
   37    33    56    61   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    44   1.26750  1.0 1.0
   37    33    40    44  -0.00950 -1.0 2.0
   37    33    40    44   0.30600  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    49   0.25150  1.0 1.0
   37    43    45    49  -1.17200 -1.0 2.0
   37    43    45    49   0.53050  1.0 3.0
   37    43   -45    51   0.01700  1.0 1.0
   37    43   -45    51  -0.23550 -1.0 2.0
   37    43   -45    51   0.21350  1.0 3.0
   38    37    43    45   0.32350  1.0 3.0
   39    37    43    45   0.32350  1.0 3.0
   43    45    49    50   0.00000  1.0 1.0
   43    45    49    54   0.00000  1.0 1.0
   43    45    49    58   0.00000  1.0 1.0
   43    45   -51    54   0.00000  1.0 1.0
   43    45    51    56   0.00000  1.0 1.0
   45    49    54    55  -0.11250  1.0 1.0
   45    49    54    55   0.11400 -1.0 2.0
   45    49    54    55  -0.28950  1.0 3.0
   45    49   -54    51   3.00000 -1.0 2.0
   45    49    58    59   0.00000  1.0 1.0
   45    49    58    64  -0.43950  1.0 1.0
   45    49    58    64  -0.08100 -1.0 2.0
   45    49    58    64   0.03350  1.0 3.0
   45    51   -56    33   0.00000  1.0 1.0
   45    51    56    57   0.00000  1.0 1.0
   45    51    56    61   0.00000  1.0 1.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    54   0.15000  1.0 3.0
   46    45    49    58   0.15000  1.0 3.0
   46    45   -51    54   0.00000  1.0 1.0
   46    45    51    56   0.00000  1.0 1.0
   49    45   -51    54   0.00000  1.0 1.0
   49    45    51    56   0.00000  1.0 1.0
   49    54   -51    45   3.00000 -1.0 2.0
   49    54   -51    56   3.00000 -1.0 2.0
   49    58    64    65   3.04450 -1.0 2.0
   49    58    64    70   1.49850  1.0 1.0
   49    58    64    70   1.53950 -1.0 2.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    51   0.00000  1.0 1.0
   50    49    58    59   0.00000  1.0 1.0
   50    49    58    64   0.00000  1.0 1.0
   54    49    58    59   0.00000  1.0 1.0
   54    49    58    64  -0.42300  1.0 1.0
   54    49    58    64  -0.07000 -1.0 2.0
   54    49    58    64   0.04150  1.0 3.0
   54    51    56    33   0.00000  1.0 1.0
   54    51    56    57   0.00000  1.0 1.0
   54    51    56    61   0.00000  1.0 1.0
   55    54   -51    45   3.00000 -1.0 2.0
   55    54    51    56   3.00000 -1.0 2.0
   51    45   -49    50   0.15000  1.0 3.0
   51    45   -49    54   3.00000 -1.0 2.0
   51    45    49    58   2.20050  1.0 1.0
   51    45    49    58   0.63450 -1.0 2.0
   51    45    49    58  -0.91300  1.0 3.0
   51    56    61    62   0.00000  1.0 1.0
   51    56    61    63   0.00000  1.0 1.0
   56    33    37    38   0.15000  1.0 3.0
   56    33    37    39   0.15000  1.0 3.0
   56    33   -37    43   0.44750  1.0 1.0
   56    33   -37    43  -0.17800 -1.0 2.0
   56    33   -37    43   0.20200  1.0 3.0
   56    33    40    41   0.15000  1.0 3.0
   56    33    40    42   0.15000  1.0 3.0
   56    33    40    44   1.26750  1.0 1.0
   56    33    40    44  -0.00950 -1.0 2.0
   56    33    40    44   0.30600  1.0 3.0
   57    56    61    62   0.00000  1.0 1.0
   57    56    61    63   0.00000  1.0 1.0
   58    49    54    55   0.30150 -1.0 2.0
   58    49   -54    51   0.00000  1.0 1.0
   58    64    70    74   1.50000 -1.0 2.0
   58    64    70    75   1.50000 -1.0 2.0
   59    58    64    65   2.45000 -1.0 2.0
   59    58    64    70   2.56700 -1.0 2.0
   64    70    74    79   0.30050 -1.0 2.0
   64    70    74    79   0.16600  1.0 3.0
   64    70    74    90   0.30050 -1.0 2.0
   64    70    74    90   0.16600  1.0 3.0
   64    70    75    81   6.00000 -1.0 2.0
   65    64    70    74   1.00000 -1.0 2.0
   65    64    70    75   1.00000 -1.0 2.0
   70    74    79    80   3.62500 -1.0 2.0
   70    74    79    84   3.62500 -1.0 2.0
   70    74    90    89   3.62500 -1.0 2.0
   70    75    81    85   1.50000 -1.0 2.0
   74    70    75    81   6.00000 -1.0 2.0
   74    79   -84    89   3.62500 -1.0 2.0
   79    74   -90    89   2.40000 -1.0 2.0
   79    84   -89    90   3.62500 -1.0 2.0
   79    84    89    91   3.62500 -1.0 2.0
   80    79    84    89   3.62500 -1.0 2.0
   84    89   -90    74   3.62500 -1.0 2.0
   84    89    91    92   0.47600 -1.0 2.0
   84    89    91    93   0.47600 -1.0 2.0
   90    74    79    80   3.62500 -1.0 2.0
   90    74   -79    84   3.62500 -1.0 2.0
   90    89    91    92   1.75000 -1.0 2.0
   90    89    91    93   1.75000 -1.0 2.0
   91    89    90    74   3.62500 -1.0 2.0
   75    70    74    79   1.02250 -1.0 2.0
   75    70    74    90   1.02250 -1.0 2.0
   75    81    85    86   0.37500  1.0 3.0
   75    81    85    87   0.37500  1.0 3.0
   75    81    85    88   0.37500  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.44750  1.0 1.0
   40    33    37    43  -0.17800 -1.0 2.0
   40    33    37    43   0.20200  1.0 3.0
   40    33    56    51   0.42250  1.0 1.0
   40    33    56    51  -0.48100 -1.0 2.0
   40    33    56    51   0.35650  1.0 3.0
   40    33    56    57   0.15000  1.0 3.0
   40    33    56    61  -0.84850  1.0 1.0
   40    33    56    61  -0.22800 -1.0 2.0
   40    33    56    61   0.29250  1.0 3.0
   40    44    47    48   0.00000  1.0 1.0
   40    44    47    52  -0.54700  1.0 1.0
   40    44    47    52   1.23000 -1.0 2.0
   40    44    66    60   0.00000  1.0 1.0
   40    44    66    71   0.00000  1.0 1.0
   41    40    44    47   0.00000  1.0 1.0
   41    40    44    66   0.00000  1.0 1.0
   42    40    44    47   0.00000  1.0 1.0
   42    40    44    66   0.00000  1.0 1.0
   44    47    52    53   7.00000 -1.0 2.0
   44    47   -52    60   7.00000 -1.0 2.0
   44    66    71    72   0.00000  1.0 1.0
   44    66    71    73   0.00000  1.0 1.0
   44    66    71    76  -0.50000 -1.0 2.0
   47    44   -66    60   0.00000  1.0 1.0
   47    44    66    71   0.00000  1.0 1.0
   47    52   -60    66   1.09700  1.0 1.0
   47    52   -60    66   0.56350 -1.0 2.0
   47    52   -60    66   0.49350  1.0 3.0
   47    52    60    67   1.09700  1.0 1.0
   47    52    60    67   0.56350 -1.0 2.0
   47    52    60    67   0.49350  1.0 3.0
   48    47    52    53   7.00000 -1.0 2.0
   48    47    52    60   7.00000 -1.0 2.0
   52    60   -66    44   4.00000 -1.0 2.0
   52    60    66    71  -0.54700  1.0 1.0
   52    60    66    71   1.23000 -1.0 2.0
   52    60    67    68   1.50000 -1.0 2.0
   52    60    67    69   1.50000 -1.0 2.0
   53    52    60    66   0.97550 -1.0 2.0
   53    52    60    67   0.97550 -1.0 2.0
   60    66    71    72   0.08850  1.0 3.0
   60    66    71    73   0.08850  1.0 3.0
   60    66    71    76   0.25550 -1.0 2.0
   66    44    47    48   0.00000  1.0 1.0
   66    44   -47    52  -0.94800  1.0 1.0
   66    44   -47    52   2.88400 -1.0 2.0
   66    60    67    68   1.50000 -1.0 2.0
   66    60    67    69   1.50000 -1.0 2.0
   66    71    76    77  -0.29100  1.0 3.0
   66    71    76    78  -0.29100  1.0 3.0
   66    71    76    82   4.07950  1.0 1.0
   66    71    76    82  -0.26450 -1.0 2.0
   66    71    76    82  -0.12150  1.0 3.0
   71    76    82    83  -0.11600  1.0 1.0
   71    76    82    83  -0.09450 -1.0 2.0
   71    76    82    83   0.21250  1.0 3.0
   72    71    76    77   0.15000  1.0 3.0
   72    71    76    78   0.15000  1.0 3.0
   72    71    76    82   0.23400  1.0 3.0
   73    71    76    77   0.15000  1.0 3.0
   73    71    76    78   0.15000  1.0 3.0
   73    71    76    82   0.23400  1.0 3.0
   77    76    82    83   0.19450  1.0 3.0
   78    76    82    83   0.19450  1.0 3.0
   67    60    66    44   4.00000 -1.0 2.0
   67    60    66    71   3.96800 -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
   35    30    34    36  10.50000 -1.0 2.0
   49    51    54    55  10.50000 -1.0 2.0
   56    54    51    45   1.00000 -1.0 2.0
   62    56    61    63  10.50000 -1.0 2.0
   59    64    58    49   1.00000 -1.0 2.0
   58    70    64    65  10.50000 -1.0 2.0
   64    74    70    75  10.50000 -1.0 2.0
   79    90    74    70   4.00000 -1.0 2.0
   84    80    79    74   1.10000 -1.0 2.0
   90    91    89    84   4.00000 -1.0 2.0
   93    89    91    92   1.00000 -1.0 2.0
   66    47    44    40   1.00000 -1.0 2.0
   44    48    47    52   1.10000 -1.0 2.0
   60    53    52    47   1.10000 -1.0 2.0
   66    52    60    67  10.50000 -1.0 2.0
   71    60    66    44   1.00000 -1.0 2.0
   68    69    67    60   1.00000 -1.0 2.0
END
