* LIGAND DATABASE FILE (OPLS2005)
*
001      93    94    168    245     485
    1     0 S   NP   _N1_     1    29.66036    92.17943   -24.58499
    2     1 S   H    _HN1     2     1.02833    12.10983   170.71399
    3     1 S   H    _H1_     3     1.02779   107.64605   -96.12559
    4     1 S   H    _H2_     4     1.02958    96.06956    15.32451
    5     1 S   CT   _CA1     5     1.50127   120.59620   133.34355
    6     5 S   HC   _HA1     6     1.09572   105.23146    67.06751
    7     5 S   CO3  _C1_     7     1.53808   112.38876   -53.15642
    8     7 S   O2Z  _O11     8     1.26367   115.01717   -42.83072
    9     7 S   O2Z  _O12     9     1.26238   114.92657   136.28951
   10     5 S   CT   _CB1    10     1.53064   107.40541  -174.98019
   11    10 S   HC   HB11    11     1.09828   109.40722   -50.12833
   12    10 S   HC   HB12    12     1.09805   110.35764    66.38433
   13    10 S   CT   _CG1    13     1.53009   112.71438  -171.18477
   14    13 S   HC   HG11    14     1.09593   110.46331   -62.63756
   15    13 S   HC   HG12    15     1.09638   110.03220    56.68743
   16    13 S   C    _CD1    16     1.51743   112.18701   177.15160
   17    16 S   O    _OE1    17     1.22733   123.24275    -1.84409
   18    16 S   N    _N2_    18     1.38684   111.74225   178.20692
   19    18 S   H    _HN2    19     1.01559   119.16771     3.42251
   20    18 S   CT1  _CA2    20     1.46022   123.14922  -176.97761
   21    20 S   HC   _HA2    21     1.09558   109.15238     2.81751
   22    20 S   C    _C2_    22     1.53521   109.46601  -112.40506
   23    22 S   O    _O2_    23     1.23073   121.94568  -147.96406
   24    20 S   CT   _CB2    32     1.53549   111.81367   124.73714
   25    24 S   HC   HB21    33     1.09683   109.30327    69.99479
   26    24 S   HC   HB22    34     1.09530   110.61337  -173.46103
   27    22 S   N    _N3_    24     1.38420   113.78640    39.54439
   28    27 S   H    _HN3    25     1.01474   119.02733    -0.41069
   29    24 S   S    _SG2    35     1.83155   115.56670   -49.04700
   30    27 S   CT   _CA3    26     1.45451   123.44392   175.05110
   31    30 S   HC   HA31    27     1.09521   109.29116    24.20773
   32    30 S   HC   HA32    28     1.09498   107.12902   141.20969
   33    29 S   CT   _C19    36     1.84441   101.30925   -63.61944
   34    33 S   HC   _H6_    37     1.09324   108.33166    38.05714
   35    30 S   CO3  _C3_    29     1.52911   112.98871   -99.29982
   36    35 S   O2Z  _O31    30     1.26411   115.33923   -46.78249
   37    35 S   O2Z  _O32    31     1.26346   115.03208   134.11941
   38    33 S   CM   _C20    38     1.49858   109.52612   -80.90518
   39    38 S   HC   _H24    39     1.09047   116.28635    41.43788
   40    38 S   CMA  _C21    40     1.35129   126.66050  -138.33429
   41    40 S   OM   _O37    41     1.26500   127.16114   177.12098
   42    40 S   CT   _C16    42     1.57618   119.94835    -3.40680
   43    42 S   CT   _C17    43     1.56579   111.70431    -5.36330
   44    43 S   HC   _H22    44     1.09482   110.67235   -84.41211
   45    43 S   HC   _H23    45     1.09654   109.94547   160.83631
   46    42 S   CT   _C23    53     1.58614   109.81165   114.85372
   47    46 S   HC   _H28    54     1.09687   109.09082  -174.40974
   48    46 S   HC   _H29    55     1.09857   109.23108    70.83605
   49    42 S   CT   _C5_    61     1.62190   110.99510  -126.04951
   50    49 S   HC   _H3_    62     1.10001   105.88188   -62.39442
   51    33 S   CT   _C18    46     1.53490   107.93842   156.02440
   52    51 S   HC   _H5_    47     1.09444   110.76403    45.32499
   53    46 S   CM   _C24    56     1.50677   117.57825   -51.12200
   54    53 S   HC   _H30    57     1.08690   117.53411    60.60324
   55    49 S   CT   _C4_    63     1.54281   113.33611  -177.07397
   56    55 S   HC   _H7_    64     1.09361   112.31492   -59.96927
   57    55 S   HC   _H8_    65     1.09332   111.55453    61.70926
   58    55 S   HC   _H9_    66     1.09412   111.00900   179.52687
   59    49 S   CT   _C6_    67     1.56685   113.69940    55.12238
   60    59 S   HC   _H4_    68     1.09443   110.59757   -26.02610
   61    51 S   OS   _O38    48     1.43854   107.85814   -74.22249
   62    53 S   CM   _C25    58     1.33857   124.07655  -121.16676
   63    62 S   HC   _H31    59     1.08460   120.40639  -179.22494
   64    62 S   HC   _H32    60     1.08432   121.62066     1.06036
   65    59 S   CA   _C7_    69     1.52353   112.31654  -145.50066
   66    59 S   OH   _O36    92     1.42931   111.27754    90.33851
   67    66 S   HO   _H21    93     0.97256   107.52902   178.54505
   68    61 S   CT   _C22    49     1.42103   113.24066   155.30858
   69    68 S   HC   _H25    50     1.09290   108.17710   179.87180
   70    68 S   HC   _H26    51     1.09296   111.23484    60.94839
   71    68 S   HC   _H27    52     1.09416   110.39579   -61.66601
   72    65 S   CA   _C8_    70     1.40495   121.82585   -90.80238
   73    72 S   HA   _H10    71     1.08587   118.38597    -0.90612
   74    72 S   CA   _C9_    72     1.39759   120.87405   179.20402
   75    74 S   CA   _C10    73     1.40350   118.84156    -0.96307
   76    74 S   OS   _O35    87     1.37116   125.07515   179.05333
   77    75 S   CA   _C11    74     1.40293   121.40173     1.90249
   78    75 S   OS   _O34    82     1.37723   119.23188   178.52608
   79    76 S   CT   _C15    88     1.42220   117.22915     0.56475
   80    79 S   HC   _H18    89     1.09428   107.73702   179.79826
   81    79 S   HC   _H19    90     1.09500   111.14330    62.08649
   82    79 S   HC   _H20    91     1.09496   111.14428   -62.48407
   83    65 S   CA   _C12    75     1.40587   119.06122    88.46330
   84    83 S   HA   _H11    76     1.08631   118.07899     1.09629
   85    77 S   OS   _O33    77     1.37096   116.20547   178.08460
   86    78 S   CT   _C14    83     1.42843   110.05204    91.93366
   87    86 S   HC   _H15    84     1.09407   107.77411  -179.84174
   88    86 S   HC   _H16    85     1.09540   111.34659    61.89013
   89    86 S   HC   _H17    86     1.09543   111.33640   -61.57682
   90    85 S   CT   _C13    78     1.42265   117.12839   177.49228
   91    90 S   HC   _H12    79     1.09429   107.72160  -178.59988
   92    90 S   HC   _H13    80     1.09493   111.10639    63.72441
   93    90 S   HC   _H14    81     1.09505   111.19331   -60.87192
  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
  13   7   2   1   1  10   4  14   4  22  14   6   5  12   5   4
  14   8   6   2   4   3   7   3   2   1  10   5   4   2   1   1
  11   3   1   3   2   1   1   9   4  11  12   6   9   6   3   2
   1   1   3   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    51    52    61  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    51    52    61    68  
   38    39    40    43    51    52    61  
   36    37  
   37  
    0  
   39    40    41    42    43    51    52    61    46    49  
   40    41    42    51  
   41    42    43    44    45    51    46    47    48    53    49    50    55    59  
   42    43    46    49  
   43    44    45    51    52    61    46    47    48    53    54    62    49    50    55    56    57    58    59    60    65    66  
   44    45    51    52    61    68    46    47    48    53    49    50    55    59  
   45    51    52    61    46    49  
   51    52    61    46    49  
   47    48    53    54    62    63    64    49    50    55    59    51  
   48    53    54    62    49  
   53    54    62    49  
   50    55    56    57    58    59    60    65    72    83    66    67    51    53  
   55    56    57    58    59    60    65    66  
   52    61    68    69    70    71  
   61    68  
   54    62    63    64  
   62    63    64  
   56    57    58    59    60    65    66  
   57    58    59  
   58    59  
   59  
   60    65    72    73    74    77    83    84    66    67  
   65    72    83    66    67  
   68    69    70    71  
   63    64  
   64  
    0  
   72    73    74    75    77    83    84    85    76    66    67  
   67    72    83  
    0  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    77    83    84    78    76    79  
   74    75    83    76  
   75    77    83    85    78    86    76    79    80    81    82  
   77    83    84    85    90    78    86    87    88    89    76    79  
   79    80    81    82    77    78  
   83    84    85    90    91    92    93    78    86  
   86    87    88    89    83    85  
   80    81    82  
   81    82  
   82  
    0  
   84    85    90  
   85  
   90    91    92    93  
   87    88    89  
   88    89  
   89  
    0  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   76   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   78   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   85   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   86   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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
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    51   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   268.000  1.529
   42    46   268.000  1.529
   42    49   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    51   268.000  1.529
   51    52   340.000  1.090
   51    61   320.000  1.410
   61    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    53   317.000  1.510
   53    54   340.000  1.080
   53    62   549.000  1.340
   62    63   340.000  1.080
   62    64   340.000  1.080
   49    50   340.000  1.090
   49    55   268.000  1.529
   49    59   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    65   317.000  1.510
   59    66   320.000  1.410
   65    72   469.000  1.400
   65    83   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   469.000  1.400
   74    76   450.000  1.364
   75    77   469.000  1.400
   75    78   450.000  1.364
   77    83   469.000  1.400
   77    85   450.000  1.364
   83    84   367.000  1.080
   85    90   320.000  1.410
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   78    86   320.000  1.410
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   76    79   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   66    67   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    75.00000  112.20000
   29    33    51    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    51    43    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    61    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  112.02700
   40    42    46    70.00000  112.02700
   40    42    49    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    43    44    37.50000  110.70000
   42    43    45    37.50000  110.70000
   42    43    51    58.35000  112.70000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    53    70.00000  112.02700
   42    49    50    37.50000  110.70000
   42    49    55    58.35000  112.70000
   42    49    59    58.35000  112.70000
   43    51    52    37.50000  110.70000
   43    51    61    50.00000  109.50000
   45    43    44    33.00000  107.80000
   51    33    34    37.50000  110.70000
   51    33    38    70.00000  112.02700
   51    43    44    37.50000  110.70000
   51    43    45    37.50000  110.70000
   51    61    68    60.00000  109.50000
   61    51    52    35.00000  109.50000
   61    68    69    35.00000  109.50000
   61    68    70    35.00000  109.50000
   61    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   46    42    43    58.35000  112.70000
   46    53    54    35.00000  117.00000
   46    53    62    70.00000  124.00000
   48    46    47    33.00000  107.80000
   53    46    47    35.00000  109.50000
   53    46    48    35.00000  109.50000
   53    62    63    35.00000  120.00000
   53    62    64    35.00000  120.00000
   62    53    54    35.00000  120.00000
   64    62    63    35.00000  117.00000
   49    42    43    58.35000  112.70000
   49    42    46    58.35000  112.70000
   49    55    56    37.50000  110.70000
   49    55    57    37.50000  110.70000
   49    55    58    37.50000  110.70000
   49    59    60    37.50000  110.70000
   49    59    65    70.00000  112.17500
   49    59    66    50.00000  109.50000
   55    49    50    37.50000  110.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    49    50    37.50000  110.70000
   59    49    55    58.35000  112.70000
   59    65    72    70.00000  120.00000
   59    65    83    70.00000  120.00000
   59    66    67    55.00000  108.50000
   65    59    60    35.00000  109.50000
   65    72    73    35.00000  120.00000
   65    72    74    63.00000  120.00000
   65    83    77    63.00000  120.00000
   65    83    84    35.00000  120.00000
   72    74    75    63.00000  120.00000
   72    74    76    70.00000  120.00000
   74    72    73    35.00000  120.00000
   74    75    77    63.00000  120.00000
   74    75    78    70.00000  120.00000
   74    76    79    75.00000  111.00000
   75    77    83    63.00000  120.00000
   75    77    85    70.00000  120.00000
   75    78    86    75.00000  111.00000
   77    83    84    35.00000  120.00000
   77    85    90    75.00000  111.00000
   83    65    72    63.00000  120.00000
   85    77    83    70.00000  120.00000
   85    90    91    35.00000  109.50000
   85    90    92    35.00000  109.50000
   85    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
   78    75    77    70.00000  120.00000
   78    86    87    35.00000  109.50000
   78    86    88    35.00000  109.50000
   78    86    89    35.00000  109.50000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   76    74    75    70.00000  120.00000
   76    79    80    35.00000  109.50000
   76    79    81    35.00000  109.50000
   76    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
   66    59    60    35.00000  109.50000
   66    59    65    90.00000  112.51600
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    51    43   0.44750  1.0 1.0
   29    33    51    43  -0.17800 -1.0 2.0
   29    33    51    43   0.20200  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    61   0.56750  1.0 1.0
   29    33    51    61  -0.07550 -1.0 2.0
   29    33    51    61   0.20000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    51    61    68   0.06250  1.0 1.0
   33    51    61    68  -0.01100 -1.0 2.0
   33    51    61    68   0.28050  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    51    43   0.15000  1.0 3.0
   34    33    51    52   0.15000  1.0 3.0
   34    33    51    61   0.23400  1.0 3.0
   38    33    51    43   0.34400  1.0 1.0
   38    33    51    43   0.09450 -1.0 2.0
   38    33    51    43   0.11100  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    61   0.61850  1.0 1.0
   38    33    51    61  -0.22750 -1.0 2.0
   38    33    51    61   0.15300  1.0 3.0
   38    40   -42    43   0.09850  1.0 1.0
   38    40   -42    43   0.15250 -1.0 2.0
   38    40   -42    43  -0.50650  1.0 3.0
   38    40    42    46   0.09850  1.0 1.0
   38    40    42    46   0.15250 -1.0 2.0
   38    40    42    46  -0.50650  1.0 3.0
   38    40    42    49   0.09850  1.0 1.0
   38    40    42    49   0.15250 -1.0 2.0
   38    40    42    49  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    44   0.15000  1.0 3.0
   40    42    43    45   0.15000  1.0 3.0
   40    42    43    51   0.34400  1.0 1.0
   40    42    43    51   0.09450 -1.0 2.0
   40    42    43    51   0.11100  1.0 3.0
   40    42    46    47   0.15000  1.0 3.0
   40    42    46    48   0.15000  1.0 3.0
   40    42    46    53   0.31000  1.0 1.0
   40    42    46    53   0.14700 -1.0 2.0
   40    42    46    53   0.07550  1.0 3.0
   40    42    49    50   0.15000  1.0 3.0
   40    42    49    55   0.34400  1.0 1.0
   40    42    49    55   0.09450 -1.0 2.0
   40    42    49    55   0.11100  1.0 3.0
   40    42    49    59   0.34400  1.0 1.0
   40    42    49    59   0.09450 -1.0 2.0
   40    42    49    59   0.11100  1.0 3.0
   41    40    42    43   0.09700  1.0 1.0
   41    40    42    43   0.15600 -1.0 2.0
   41    40    42    43  -0.50800  1.0 3.0
   41    40    42    46   0.09700  1.0 1.0
   41    40    42    46   0.15600 -1.0 2.0
   41    40    42    46  -0.50800  1.0 3.0
   41    40    42    49   0.09700  1.0 1.0
   41    40    42    49   0.15600 -1.0 2.0
   41    40    42    49  -0.50800  1.0 3.0
   42    43   -51    33   0.56750  1.0 1.0
   42    43   -51    33  -0.07550 -1.0 2.0
   42    43   -51    33   0.20000  1.0 3.0
   42    43    51    52   0.15000  1.0 3.0
   42    43    51    61   0.62750  1.0 1.0
   42    43    51    61  -0.30950 -1.0 2.0
   42    43    51    61   0.27300  1.0 3.0
   42    46    53    54   0.00000  1.0 1.0
   42    46    53    62   0.09850  1.0 1.0
   42    46    53    62   0.15250 -1.0 2.0
   42    46    53    62  -0.50650  1.0 3.0
   42    49    55    56   0.15000  1.0 3.0
   42    49    55    57   0.15000  1.0 3.0
   42    49    55    58   0.15000  1.0 3.0
   42    49    59    60   0.15000  1.0 3.0
   42    49    59    65  -0.03700  1.0 1.0
   42    49    59    65   0.37200 -1.0 2.0
   42    49    59    65  -0.47300  1.0 3.0
   42    49    59    66   0.86500  1.0 1.0
   42    49    59    66  -0.17500 -1.0 2.0
   42    49    59    66   0.20800  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    53   0.34400  1.0 1.0
   43    42    46    53   0.09450 -1.0 2.0
   43    42    46    53   0.11100  1.0 3.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    55   0.56750  1.0 1.0
   43    42    49    55  -0.07550 -1.0 2.0
   43    42    49    55   0.20000  1.0 3.0
   43    42    49    59   0.56750  1.0 1.0
   43    42    49    59  -0.07550 -1.0 2.0
   43    42    49    59   0.20000  1.0 3.0
   43    51    61    68   0.06250  1.0 1.0
   43    51    61    68  -0.01100 -1.0 2.0
   43    51    61    68   0.28050  1.0 3.0
   44    43    51    33   0.15000  1.0 3.0
   44    43    51    52   0.15000  1.0 3.0
   44    43    51    61   0.23400  1.0 3.0
   45    43    51    33   0.15000  1.0 3.0
   45    43    51    52   0.15000  1.0 3.0
   45    43    51    61   0.23400  1.0 3.0
   51    33    38    39   0.00000  1.0 1.0
   51    33   -38    40   0.09850  1.0 1.0
   51    33   -38    40   0.15250 -1.0 2.0
   51    33   -38    40  -0.50650  1.0 3.0
   51    61    68    69   0.37050  1.0 3.0
   51    61    68    70   0.37050  1.0 3.0
   51    61    68    71   0.37050  1.0 3.0
   52    51    61    68   0.37050  1.0 3.0
   46    42    43    44   0.15000  1.0 3.0
   46    42    43    45   0.15000  1.0 3.0
   46    42    43    51   0.56750  1.0 1.0
   46    42    43    51  -0.07550 -1.0 2.0
   46    42    43    51   0.20000  1.0 3.0
   46    42    49    50   0.15000  1.0 3.0
   46    42    49    55   0.56750  1.0 1.0
   46    42    49    55  -0.07550 -1.0 2.0
   46    42    49    55   0.20000  1.0 3.0
   46    42    49    59   0.56750  1.0 1.0
   46    42    49    59  -0.07550 -1.0 2.0
   46    42    49    59   0.20000  1.0 3.0
   46    53    62    63   7.00000 -1.0 2.0
   46    53    62    64   7.00000 -1.0 2.0
   47    46    53    54   0.33100  1.0 3.0
   47    46    53    62   0.00000  1.0 1.0
   48    46    53    54   0.33100  1.0 3.0
   48    46    53    62   0.00000  1.0 1.0
   54    53    62    63   7.00000 -1.0 2.0
   54    53    62    64   7.00000 -1.0 2.0
   49    42    43    44   0.15000  1.0 3.0
   49    42    43    45   0.15000  1.0 3.0
   49    42    43    51   0.56750  1.0 1.0
   49    42    43    51  -0.07550 -1.0 2.0
   49    42    43    51   0.20000  1.0 3.0
   49    42    46    47   0.15000  1.0 3.0
   49    42    46    48   0.15000  1.0 3.0
   49    42    46    53   0.34400  1.0 1.0
   49    42    46    53   0.09450 -1.0 2.0
   49    42    46    53   0.11100  1.0 3.0
   49    59    65    72   0.04150 -1.0 2.0
   49    59    65    83   0.04150 -1.0 2.0
   49    59    66    67  -0.11600  1.0 1.0
   49    59    66    67  -0.09450 -1.0 2.0
   49    59    66    67   0.21250  1.0 3.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    57   0.15000  1.0 3.0
   50    49    55    58   0.15000  1.0 3.0
   50    49    59    60   0.15000  1.0 3.0
   50    49    59    65   0.43200  1.0 3.0
   50    49    59    66   0.23400  1.0 3.0
   55    49    59    60   0.15000  1.0 3.0
   55    49    59    65  -0.03700  1.0 1.0
   55    49    59    65   0.37200 -1.0 2.0
   55    49    59    65  -0.47300  1.0 3.0
   55    49    59    66   0.86500  1.0 1.0
   55    49    59    66  -0.17500 -1.0 2.0
   55    49    59    66   0.20800  1.0 3.0
   59    49    55    56   0.15000  1.0 3.0
   59    49    55    57   0.15000  1.0 3.0
   59    49    55    58   0.15000  1.0 3.0
   59    65    72    73   3.62500 -1.0 2.0
   59    65    72    74   3.62500 -1.0 2.0
   59    65    83    77   3.62500 -1.0 2.0
   59    65    83    84   3.62500 -1.0 2.0
   60    59    65    72   0.00000  1.0 1.0
   60    59    65    83   0.00000  1.0 1.0
   60    59    66    67   0.19450  1.0 3.0
   65    59    66    67   0.31900  1.0 1.0
   65    59    66    67  -0.11800 -1.0 2.0
   65    59    66    67   0.38750  1.0 3.0
   65    72    74    75   3.62500 -1.0 2.0
   65    72    74    76   3.62500 -1.0 2.0
   72    65    83    77   3.62500 -1.0 2.0
   72    65    83    84   3.62500 -1.0 2.0
   72    74   -75    77   3.62500 -1.0 2.0
   72    74    75    78   3.62500 -1.0 2.0
   72    74    76    79   1.63200 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    75    77    83   3.62500 -1.0 2.0
   74    75    77    85   3.62500 -1.0 2.0
   74    75    78    86   1.63200 -1.0 2.0
   74    76    79    80   0.08050  1.0 3.0
   74    76    79    81   0.08050  1.0 3.0
   74    76    79    82   0.08050  1.0 3.0
   75    74    76    79   1.63200 -1.0 2.0
   75    77   -83    65   3.62500 -1.0 2.0
   75    77    83    84   3.62500 -1.0 2.0
   75    77    85    90   1.63200 -1.0 2.0
   75    78    86    87   0.08050  1.0 3.0
   75    78    86    88   0.08050  1.0 3.0
   75    78    86    89   0.08050  1.0 3.0
   77    75    78    86   1.63200 -1.0 2.0
   77    85    90    91   0.08050  1.0 3.0
   77    85    90    92   0.08050  1.0 3.0
   77    85    90    93   0.08050  1.0 3.0
   83    65    72    73   3.62500 -1.0 2.0
   83    65   -72    74   3.62500 -1.0 2.0
   83    77    85    90   1.63200 -1.0 2.0
   85    77    83    65   3.62500 -1.0 2.0
   85    77    83    84   3.62500 -1.0 2.0
   78    75    77    83   3.62500 -1.0 2.0
   78    75    77    85   3.62500 -1.0 2.0
   76    74    75    77   3.62500 -1.0 2.0
   76    74    75    78   3.62500 -1.0 2.0
   66    59    65    72   0.14300 -1.0 2.0
   66    59    65    72   0.00300  1.0 3.0
   66    59    65    83   0.14300 -1.0 2.0
   66    59    65    83   0.00300  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   46    54    53    62  15.00000 -1.0 2.0
   63    64    62    53  15.00000 -1.0 2.0
   72    83    65    59   4.00000 -1.0 2.0
   74    73    72    65   1.10000 -1.0 2.0
   75    76    74    72   4.00000 -1.0 2.0
   77    78    75    74   4.00000 -1.0 2.0
   83    85    77    75   4.00000 -1.0 2.0
   77    84    83    65   1.10000 -1.0 2.0
END
