* LIGAND DATABASE FILE (OPLS2005)
*
001      90    92    158    252     465
    1     0 S   NP   _N1_     1    29.54480    94.39146   -24.85724
    2     1 S   H    _HN1     2     1.03047    87.64690    30.32378
    3     1 S   H    _H1_     3     1.02804    21.00795  -170.17619
    4     1 S   H    _H2_     4     1.02739   108.57595   -77.77046
    5     1 S   CT   _CA1     5     1.50159   126.76724   144.11585
    6     5 S   HC   _HA1     6     1.09568   105.31691    77.72961
    7     5 S   CO3  _C1_     7     1.53761   112.43065   -42.53617
    8     7 S   O2Z  _O11     8     1.26336   115.08660   -44.15703
    9     7 S   O2Z  _O12     9     1.26254   114.87750   135.02298
   10     5 S   CT   _CB1    10     1.52931   107.06483  -164.43295
   11    10 S   HC   HB11    11     1.09822   109.16169   -51.52663
   12    10 S   HC   HB12    12     1.09823   110.23077    64.88839
   13    10 S   CT   _CG1    13     1.52909   113.32298  -173.03934
   14    13 S   HC   HG11    14     1.09554   110.26005   -60.49791
   15    13 S   HC   HG12    15     1.09579   110.51679    58.96422
   16    13 S   C    _CD1    16     1.51751   111.08935   178.67647
   17    16 S   O    _OE1    17     1.22807   122.82491   -23.80641
   18    16 S   N    _N2_    18     1.38502   112.24596   157.10833
   19    18 S   H    _HN2    19     1.01579   119.26852     2.90191
   20    18 S   CT1  _CA2    20     1.46011   123.11466  -177.18130
   21    20 S   HC   _HA2    21     1.09626   109.36466    -5.68734
   22    20 S   C    _C2_    22     1.53381   108.84463  -121.05547
   23    22 S   O    _O2_    23     1.23031   122.14329  -145.93883
   24    20 S   CT   _CB2    32     1.53408   111.59428   116.29573
   25    24 S   HC   HB21    33     1.09654   109.69830    63.07079
   26    24 S   HC   HB22    34     1.09582   110.67885  -179.68847
   27    22 S   N    _N3_    24     1.38482   113.47584    41.66017
   28    27 S   H    _HN3    25     1.01502   118.99511    -0.64437
   29    24 S   S    _SG2    35     1.83025   115.06144   -57.01316
   30    27 S   CT   _CA3    26     1.45432   123.25132   174.52314
   31    30 S   HC   HA31    27     1.09538   108.96860    29.17994
   32    30 S   HC   HA32    28     1.09485   107.17594   146.20017
   33    29 S   CT   _C26    36     1.81892    99.88902   -61.84865
   34    33 S   HC   _H21    37     1.09060   107.14134    73.91320
   35    33 S   HC   _H22    38     1.09385   109.57453   -46.30923
   36    30 S   CO3  _C3_    29     1.52977   113.38345   -94.05234
   37    36 S   O2Z  _O31    30     1.26384   115.58175   -39.28511
   38    36 S   O2Z  _O32    31     1.26381   114.85414   141.63974
   39    33 S   C    _C25    39     1.52486   111.33233  -166.11327
   40    39 S   O    _O39    40     1.23420   120.32042    24.95392
   41    39 S   N    _N5_    41     1.41646   115.81257  -157.31752
   42    41 S   CA   _C6_    42     1.45358   120.37606   166.10919
   43    41 S   CT   _C16    70     1.48298   121.63104   -18.53695
   44    43 S   HC   _H13    71     1.09277   111.38738    -1.92955
   45    43 S   HC   _H14    72     1.09691   107.26660  -115.13204
   46    42 S   CA   _C5_    43     1.40589   121.12913   -26.87547
   47    46 S   HA   _H5_    44     1.08662   121.57391    -1.02316
   48    43 S   CA   _C17    73     1.51458   115.35496   120.70699
   49    46 S   CA   _C4_    45     1.40127   121.70868  -178.51655
   50    49 S   HA   _H4_    46     1.08655   118.25973  -178.78921
   51    48 S   CA   _C18    74     1.40316   118.64950   150.41452
   52    51 S   HA   _H15    75     1.08783   120.28397    -0.79130
   53    49 S   CA   _C9_    47     1.39432   120.14672     0.69998
   54    51 S   CA   _C19    76     1.39681   120.90966   179.45213
   55    54 S   HA   _H16    77     1.08738   119.32698   179.63577
   56    53 S   CA   _C8_    48     1.39522   119.16692    -0.59413
   57    56 S   HA   _H7_    49     1.08760   120.83024  -179.77445
   58    53 S   C    _C10    52     1.48502   122.21132  -179.49954
   59    58 S   O    _O33    53     1.22741   119.15525   150.06240
   60    54 S   CA   _C20    78     1.39583   120.59978    -0.12972
   61    42 S   CA   _C7_    50     1.40545   121.73392   155.62639
   62    61 S   HA   _H6_    51     1.08551   121.99929    -2.75605
   63    58 S   N    _N4_    54     1.38322   115.76334   -30.96439
   64    63 S   H    _H8_    55     1.01473   120.44219    -4.13754
   65    60 S   CA   _C21    79     1.39903   118.56507    -0.58316
   66    63 S   CT1  _C11    56     1.46781   123.29240  -179.40983
   67    66 S   HC   _H3_    57     1.09629   107.40448   -32.95416
   68    48 S   CA   _C22    80     1.40236   122.67487   -31.87199
   69    68 S   HA   _H17    81     1.08712   120.13370     0.58249
   70    65 S   C    _C23    82     1.47661   117.90846   179.05002
   71    70 S   O    _O38    83     1.22527   121.97385  -178.78292
   72    66 S   CO3  _C15    58     1.54349   110.06494  -152.18263
   73    72 S   O2Z  _O37    59     1.26499   115.51205   -56.87856
   74    72 S   O2Z  _O36    60     1.26390   115.02639   121.99955
   75    66 S   CTJ  _C12    61     1.53767   109.61800    86.35074
   76    75 S   HC   _H9_    62     1.09814   109.58777    63.97168
   77    75 S   HC   _H10    63     1.09763   109.51706   -51.39760
   78    70 S   N    _N6_    84     1.38339   114.50875     0.71819
   79    78 S   H    _H18    85     1.01339   117.44605  -179.61488
   80    75 S   CTI  _C13    64     1.52877   114.16027  -174.31687
   81    80 S   HC   _H11    65     1.09790   108.00759  -171.01373
   82    80 S   HC   _H12    66     1.09630   110.13282   -55.31900
   83    78 S   CDX  _C24    86     1.38424   124.41564    -0.25179
   84    80 S   CO3  _C14    67     1.53201   117.02499    69.77174
   85    84 S   O2Z  _O35    68     1.26517   114.26015  -161.32662
   86    84 S   O2Z  _O34    69     1.26131   116.47120    19.90163
   87    60 S   NI   _N7_    87     1.40572   118.74460   179.40488
   88    83 S   NE   _N8_    88     1.36561   115.99849   179.97202
   89    88 S   H    _H19    89     1.01386   120.33578   180.00000
   90    88 S   H    _H20    90     1.01265   122.20237     0.26170
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   6   5   4   3
   7   4   3   2   1   1   9   3  13  13  11   4   3   8   4   9
   8   3   8   4   9   7   3   6   3   8   3   9   1   1  10   4
   8  11   7   5   1   6   3   6   2   1   8   5   4   6   3   5
   4   3   4   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43  
   35    39    40    41  
   39    40    41  
   37    38  
   38  
    0  
   40    41    42    46    61    43    44    45    48  
   41    42    43  
   42    46    47    49    56    61    62    43    44    45    48    51    68  
   46    47    49    50    53    56    57    61    62    43    44    45    48  
   44    45    48    51    52    54    65    68    69    46    61  
   45    48    51    68  
   48    51    68  
   47    49    50    53    56    61    62    58  
   49    50    53    61  
   51    52    54    55    60    65    68    69    70  
   50    53    56    57    61    58    59    63  
   53    56    58  
   52    54    55    60    65    68    69    87  
   54    55    60    68  
   56    57    61    62    58    59    63    64    66  
   55    60    65    68    70    83    87  
   60    65    87  
   57    61    62    58    59    63  
   61    62    58  
   59    63    64    66    67    72    75    61  
   63    64    66  
   65    68    69    70    71    78    83    87    88  
   62  
    0  
   64    66    67    72    73    74    75    76    77    80  
   66    67    72    75  
   68    69    70    71    78    79    83    87  
   67    72    73    74    75    76    77    80    81    82    84  
   72    73    74    75    76    77    80  
   69    70    71    78    87  
   70  
   71    78    79    83    87    88  
   78    79    83  
   73    74    75    76    77    80  
   74    75  
   75  
   76    77    80    81    82    84    85    86  
   77    80    81    82    84  
   80    81    82    84  
   79    83    87    88    89    90  
   83    87    88  
   81    82    84    85    86  
   82    84    85    86  
   84    85    86  
   87    88    89    90  
   85    86  
   86  
    0  
   88    89    90  
   89    90  
   90  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   41   3.2500   0.1700  -0.031700   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0700  -0.038300   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5000   0.0660   0.065000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.7500   0.1050   0.615000   1.9250   1.7000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   60   3.5500   0.0700   0.030800   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   64   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.7500   0.1050   0.615000   1.9250   1.7000   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   72   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.2500   0.1700  -0.422500   2.1120   1.8750   0.051222218  -2.220205820
   79   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   80   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   3.7500   0.1050   0.679600   2.1120   1.8750   0.001000000  -0.126889456
   84   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   87   3.2800   0.1700  -0.522900   1.9250   1.7000   0.054801302  -2.445846770
   88   3.2500   0.1700  -0.785000   2.1120   1.8750   0.051222218  -2.220205820
   89   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   90   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.522
   39    40   570.000  1.229
   39    41   490.000  1.335
   41    42   360.000  1.404
   41    43   337.000  1.449
   42    46   469.000  1.400
   42    61   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    56   469.000  1.400
   53    58   400.000  1.490
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    62   367.000  1.080
   58    59   570.000  1.229
   58    63   490.000  1.335
   63    64   434.000  1.010
   63    66   337.000  1.449
   66    67   340.000  1.090
   66    72   317.000  1.522
   66    75   268.000  1.529
   72    73   656.000  1.250
   72    74   656.000  1.250
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    84   317.000  1.522
   84    85   656.000  1.250
   84    86   656.000  1.250
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.510
   48    51   469.000  1.400
   48    68   469.000  1.400
   51    52   367.000  1.080
   51    54   469.000  1.400
   54    55   367.000  1.080
   54    60   469.000  1.400
   60    65   469.000  1.400
   60    87   400.000  1.385
   65    68   469.000  1.400
   65    70   400.000  1.490
   68    69   367.000  1.080
   70    71   570.000  1.229
   70    78   490.000  1.335
   78    79   434.000  1.010
   78    83   400.000  1.380
   83    87   650.000  1.285
   83    88   445.000  1.380
   88    89   434.000  1.010
   88    90   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    70.00000  112.33000
   33    39    40    80.00000  120.40000
   33    39    41    70.00000  116.60000
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    41    42    65.00000  121.96500
   39    41    43    50.00000  121.90000
   41    39    40    80.00000  122.90000
   41    42    46    70.00000  119.01900
   41    42    61    70.00000  119.01900
   41    43    44    35.00000  109.50000
   41    43    45    35.00000  109.50000
   41    43    48    75.00000  111.96400
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   42    61    56    63.00000  120.00000
   42    61    62    35.00000  120.00000
   46    49    50    35.00000  120.00000
   46    49    53    63.00000  120.00000
   49    46    47    35.00000  120.00000
   49    53    56    63.00000  120.00000
   49    53    58    85.00000  120.00000
   53    49    50    35.00000  120.00000
   53    56    57    35.00000  120.00000
   53    56    61    63.00000  120.00000
   53    58    59    80.00000  120.40000
   53    58    63    75.00000  113.92100
   56    61    62    35.00000  120.00000
   61    42    46    63.00000  120.00000
   61    56    57    35.00000  120.00000
   58    53    56    85.00000  120.00000
   58    63    64    35.00000  119.80000
   58    63    66    50.00000  121.90000
   63    58    59    80.00000  122.90000
   63    66    67    35.00000  109.50000
   63    66    72    63.00000  110.10000
   63    66    75    80.00000  109.70000
   66    63    64    38.00000  118.40000
   66    72    73    70.00000  117.00000
   66    72    74    70.00000  117.00000
   66    75    76    37.50000  110.70000
   66    75    77    37.50000  110.70000
   66    75    80    58.35000  112.70000
   72    66    67    35.00000  109.50000
   74    72    73    80.00000  126.00000
   75    66    67    37.50000  110.70000
   75    66    72    63.00000  111.10000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    84    63.00000  111.10000
   77    75    76    33.00000  107.80000
   80    75    76    37.50000  110.70000
   80    75    77    37.50000  110.70000
   80    84    85    70.00000  117.00000
   80    84    86    70.00000  117.00000
   82    80    81    33.00000  107.80000
   84    80    81    35.00000  109.50000
   84    80    82    35.00000  109.50000
   86    84    85    80.00000  126.00000
   43    41    42    70.00000  121.06000
   43    48    51    70.00000  120.00000
   43    48    68    70.00000  120.00000
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   48    51    52    35.00000  120.00000
   48    51    54    63.00000  120.00000
   48    68    65    63.00000  120.00000
   48    68    69    35.00000  120.00000
   51    54    55    35.00000  120.00000
   51    54    60    63.00000  120.00000
   54    51    52    35.00000  120.00000
   54    60    65    63.00000  120.00000
   54    60    87    70.00000  120.44500
   60    54    55    35.00000  120.00000
   60    65    68    63.00000  120.00000
   60    65    70    85.00000  120.00000
   60    87    83    70.00000  111.79000
   65    68    69    35.00000  120.00000
   65    70    71    80.00000  120.40000
   65    70    78    75.00000  113.92100
   68    48    51    63.00000  120.00000
   70    65    68    85.00000  120.00000
   70    78    79    35.00000  119.80000
   70    78    83    70.00000  120.51600
   78    70    71    80.00000  122.90000
   78    83    87    80.00000  119.04400
   78    83    88    85.00000  111.44000
   83    78    79    45.00000  120.05200
   83    88    89    35.00000  119.50000
   83    88    90    35.00000  119.50000
   87    60    65    70.00000  120.44500
   88    83    87    75.00000  124.36500
   90    88    89    35.00000  109.00000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  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    39    40   0.30150 -1.0 2.0
   29    33    39    41   0.00000  1.0 1.0
   33    39    41    42   0.76000  1.0 1.0
   33    39    41    42   4.11600 -1.0 2.0
   33    39    41    43   1.49850  1.0 1.0
   33    39    41    43   1.53950 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    41   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    41   0.00000  1.0 1.0
   39    41    42    46   1.00100  1.0 1.0
   39    41    42    46   0.85050 -1.0 2.0
   39    41    42    61   1.00100  1.0 1.0
   39    41    42    61   0.85050 -1.0 2.0
   39    41    43    44   0.00000  1.0 1.0
   39    41    43    45   0.00000  1.0 1.0
   39    41    43    48  -0.69800  1.0 1.0
   39    41    43    48  -0.21350 -1.0 2.0
   40    39    41    42   0.04000 -1.0 2.0
   40    39    41    43   3.04450 -1.0 2.0
   41    42    46    47   3.62500 -1.0 2.0
   41    42    46    49   3.62500 -1.0 2.0
   41    42    61    56   3.62500 -1.0 2.0
   41    42    61    62   3.62500 -1.0 2.0
   41    43    48    51  -0.24500  1.0 1.0
   41    43    48    51   0.48300 -1.0 2.0
   41    43    48    51   0.08900  1.0 3.0
   41    43    48    68  -0.24500  1.0 1.0
   41    43    48    68   0.48300 -1.0 2.0
   41    43    48    68   0.08900  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    48   0.17850 -1.0 2.0
   42    46    49    50   3.62500 -1.0 2.0
   42    46    49    53   3.62500 -1.0 2.0
   46    42    61    56   3.62500 -1.0 2.0
   46    42    61    62   3.62500 -1.0 2.0
   46    49   -53    56   3.62500 -1.0 2.0
   46    49    53    58   3.62500 -1.0 2.0
   47    46    49    50   3.62500 -1.0 2.0
   47    46    49    53   3.62500 -1.0 2.0
   49    53    56    57   3.62500 -1.0 2.0
   49    53    56    61   3.62500 -1.0 2.0
   49    53    58    59   1.05000 -1.0 2.0
   49    53    58    63   0.75700  1.0 1.0
   49    53    58    63   0.34650 -1.0 2.0
   49    53    58    63   0.33000  1.0 3.0
   49    53    58    63  -0.28100 -1.0 4.0
   50    49    53    56   3.62500 -1.0 2.0
   50    49    53    58   3.62500 -1.0 2.0
   53    56   -61    42   3.62500 -1.0 2.0
   53    56    61    62   3.62500 -1.0 2.0
   53    58    63    64   2.56700 -1.0 2.0
   53    58    63    66   1.49850  1.0 1.0
   53    58    63    66   1.53950 -1.0 2.0
   56    53    58    59   1.05000 -1.0 2.0
   56    53    58    63   0.75700  1.0 1.0
   56    53    58    63   0.34650 -1.0 2.0
   56    53    58    63   0.33000  1.0 3.0
   56    53    58    63  -0.28100 -1.0 4.0
   57    56    61    42   3.62500 -1.0 2.0
   57    56    61    62   3.62500 -1.0 2.0
   61    42    46    47   3.62500 -1.0 2.0
   61    42   -46    49   3.62500 -1.0 2.0
   58    53    56    57   3.62500 -1.0 2.0
   58    53    56    61   3.62500 -1.0 2.0
   58    63    66    67   0.00000  1.0 1.0
   58    63    66    72  -0.29800  1.0 1.0
   58    63    66    72   0.13950 -1.0 2.0
   58    63    66    72  -2.45650  1.0 3.0
   58    63    66    75   0.25950  1.0 1.0
   58    63    66    75   0.43850 -1.0 2.0
   58    63    66    75   2.61650  1.0 3.0
   59    58    63    64   2.45000 -1.0 2.0
   59    58    63    66   3.04450 -1.0 2.0
   63    66    72    73   0.00000  1.0 1.0
   63    66    72    74   0.00000  1.0 1.0
   63    66    75    76   0.23200  1.0 3.0
   63    66    75    77   0.23200  1.0 3.0
   63    66    75    80   1.79450  1.0 1.0
   63    66    75    80   1.06000 -1.0 2.0
   63    66    75    80  -0.53000  1.0 3.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    72   0.00000  1.0 1.0
   64    63    66    75   0.00000  1.0 1.0
   66    75    80    81   0.15000  1.0 3.0
   66    75    80    82   0.15000  1.0 3.0
   66    75    80    84  -1.59250  1.0 1.0
   66    75    80    84  -0.41250 -1.0 2.0
   66    75    80    84   0.24650  1.0 3.0
   67    66    72    73   0.00000  1.0 1.0
   67    66    72    74   0.00000  1.0 1.0
   67    66    75    76   0.15000  1.0 3.0
   67    66    75    77   0.15000  1.0 3.0
   67    66    75    80   0.15000  1.0 3.0
   72    66    75    76  -0.03800  1.0 3.0
   72    66    75    77  -0.03800  1.0 3.0
   72    66    75    80  -0.76350  1.0 1.0
   72    66    75    80   1.70300 -1.0 2.0
   75    66    72    73   0.00000  1.0 1.0
   75    66    72    74   0.00000  1.0 1.0
   75    80    84    85   0.27300 -1.0 2.0
   75    80    84    86   0.27300 -1.0 2.0
   76    75    80    81   0.15000  1.0 3.0
   76    75    80    82   0.15000  1.0 3.0
   76    75    80    84  -0.11250  1.0 3.0
   77    75    80    81   0.15000  1.0 3.0
   77    75    80    82   0.15000  1.0 3.0
   77    75    80    84  -0.11250  1.0 3.0
   81    80    84    85   0.00000  1.0 1.0
   81    80    84    86   0.00000  1.0 1.0
   82    80    84    85   0.00000  1.0 1.0
   82    80    84    86   0.00000  1.0 1.0
   43    41    42    46   0.81400  1.0 1.0
   43    41    42    46   1.55550 -1.0 2.0
   43    41    42    61   0.81400  1.0 1.0
   43    41    42    61   1.55550 -1.0 2.0
   43    48    51    52   3.62500 -1.0 2.0
   43    48    51    54   3.62500 -1.0 2.0
   43    48    68    65   3.62500 -1.0 2.0
   43    48    68    69   3.62500 -1.0 2.0
   44    43    48    51   0.00000  1.0 1.0
   44    43    48    68   0.00000  1.0 1.0
   45    43    48    51   0.00000  1.0 1.0
   45    43    48    68   0.00000  1.0 1.0
   48    51    54    55   3.62500 -1.0 2.0
   48    51    54    60   3.62500 -1.0 2.0
   51    48    68    65   3.62500 -1.0 2.0
   51    48    68    69   3.62500 -1.0 2.0
   51    54   -60    65   3.62500 -1.0 2.0
   51    54    60    87   3.62500 -1.0 2.0
   52    51    54    55   3.62500 -1.0 2.0
   52    51    54    60   3.62500 -1.0 2.0
   54    60    65    68   3.62500 -1.0 2.0
   54    60    65    70   3.62500 -1.0 2.0
   54    60    87    83   1.25000 -1.0 2.0
   55    54    60    65   3.62500 -1.0 2.0
   55    54    60    87   3.62500 -1.0 2.0
   60    65   -68    48   3.62500 -1.0 2.0
   60    65    68    69   3.62500 -1.0 2.0
   60    65    70    71   1.05000 -1.0 2.0
   60    65    70    78   0.75700  1.0 1.0
   60    65    70    78   0.34650 -1.0 2.0
   60    65    70    78   0.33000  1.0 3.0
   60    65    70    78  -0.28100 -1.0 4.0
   65    60    87    83   1.25000 -1.0 2.0
   65    70    78    79   2.56700 -1.0 2.0
   65    70   -78    83   2.45000 -1.0 2.0
   68    48    51    52   3.62500 -1.0 2.0
   68    48   -51    54   3.62500 -1.0 2.0
   68    65    70    71   1.05000 -1.0 2.0
   68    65    70    78   0.75700  1.0 1.0
   68    65    70    78   0.34650 -1.0 2.0
   68    65    70    78   0.33000  1.0 3.0
   68    65    70    78  -0.28100 -1.0 4.0
   70    65    68    48   3.62500 -1.0 2.0
   70    65    68    69   3.62500 -1.0 2.0
   70    78    83    87  -0.56400  1.0 1.0
   70    78    83    87   0.77500 -1.0 2.0
   70    78    83    87   0.18700  1.0 3.0
   70    78    83    88  -0.56400  1.0 1.0
   70    78    83    88   0.77500 -1.0 2.0
   70    78    83    88   0.18700  1.0 3.0
   71    70    78    79   2.45000 -1.0 2.0
   71    70    78    83   2.67200 -1.0 2.0
   78    83   -87    60   6.00000 -1.0 2.0
   78    83    88    89   1.00000 -1.0 2.0
   78    83    88    90   1.00000 -1.0 2.0
   79    78    83    87   1.00000 -1.0 2.0
   79    78    83    88   1.00000 -1.0 2.0
   87    60    65    68   3.62500 -1.0 2.0
   87    60   -65    70   3.62500 -1.0 2.0
   87    83    88    89   1.50000 -1.0 2.0
   87    83    88    90   1.50000 -1.0 2.0
   88    83    87    60   6.00000 -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
   37    30    36    38  10.50000 -1.0 2.0
   33    41    39    40  10.50000 -1.0 2.0
   43    39    41    42   1.00000 -1.0 2.0
   46    61    42    41   4.00000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   53    50    49    46   1.10000 -1.0 2.0
   56    58    53    49   4.00000 -1.0 2.0
   61    57    56    53   1.10000 -1.0 2.0
   56    62    61    42   1.10000 -1.0 2.0
   53    63    58    59  10.50000 -1.0 2.0
   64    58    63    66   1.00000 -1.0 2.0
   73    66    72    74  10.50000 -1.0 2.0
   85    80    84    86  10.50000 -1.0 2.0
   51    68    48    43   4.00000 -1.0 2.0
   54    52    51    48   1.10000 -1.0 2.0
   60    55    54    51   1.10000 -1.0 2.0
   65    87    60    54   4.00000 -1.0 2.0
   68    70    65    60   4.00000 -1.0 2.0
   65    69    68    48   1.10000 -1.0 2.0
   65    78    70    71  10.50000 -1.0 2.0
   79    70    78    83   1.00000 -1.0 2.0
   78    88    83    87  10.50000 -1.0 2.0
   90    83    88    89   1.00000 -1.0 2.0
END
