* LIGAND DATABASE FILE (OPLS2005)
*
001      84    83    149    209     431
    1     0 S   NP   _N1_     1    30.53428    94.48849   -15.26344
    2     1 S   H    _HN1     2     1.03454    80.37481   -22.32790
    3     1 S   H    _H1_     3     1.03023   150.73362    83.76691
    4     1 S   H    _H2_     4     1.02738    44.46171   105.52021
    5     1 S   CT   _CA1     5     1.49914    91.94034  -134.47099
    6     5 S   HC   _HA1     6     1.09582   105.30552    20.52375
    7     5 S   CO3  _C1_     7     1.53891   112.14181   -99.42816
    8     7 S   O2Z  _O11     8     1.26359   115.48386   -58.23689
    9     7 S   O2Z  _O12     9     1.26307   114.79063   120.72690
   10     5 S   CT   _CB1    10     1.52960   107.07542   137.83680
   11    10 S   HC   HB11    11     1.09840   109.51305   -54.14710
   12    10 S   HC   HB12    12     1.09571   109.90162    61.72595
   13    10 S   CT   _CG1    13     1.52959   113.26818  -175.50299
   14    13 S   HC   HG11    14     1.09573   111.30775   -63.04365
   15    13 S   HC   HG12    15     1.09583   110.54455    56.38571
   16    13 S   C    _CD1    16     1.51555   110.32462   176.26650
   17    16 S   O    _OE1    17     1.22836   121.88664  -106.75887
   18    16 S   N    _N2_    18     1.38289   112.77908    72.34453
   19    18 S   H    _HN2    19     1.01614   119.13735     5.60668
   20    18 S   CT1  _CA2    20     1.45792   123.24470  -176.50957
   21    20 S   HC   _HA2    21     1.09734   108.68640    25.54176
   22    20 S   C    _C2_    22     1.52866   107.45998   -91.82432
   23    22 S   O    _O2_    23     1.22947   122.98007   -27.35611
   24    20 S   CT   _CB2    32     1.53373   111.79981   148.25917
   25    24 S   HC   HB21    33     1.09370   109.60696    59.16423
   26    24 S   HC   HB22    34     1.09536   110.49582   176.79411
   27    22 S   N    _N3_    24     1.38641   112.37184   155.37894
   28    27 S   H    _HN3    25     1.01507   119.66379     1.31433
   29    24 S   S    _SG2    35     1.83193   110.69451   -64.29006
   30    27 S   CT   _CA3    26     1.45449   122.87878   176.18084
   31    30 S   HC   HA31    27     1.09537   108.99439    29.60299
   32    30 S   HC   HA32    28     1.09484   107.18767   146.66271
   33    29 S   CT   _C5_    36     1.85997   102.39828   134.69899
   34    33 S   OM   _O33    37     1.31701   107.27161   176.80782
   35    30 S   CO3  _C3_    29     1.53000   113.40065   -93.58170
   36    35 S   O2Z  _O31    30     1.26386   115.63133   -37.73424
   37    35 S   O2Z  _O32    31     1.26387   114.83620   143.20694
   38    33 S   CT   _C4_    38     1.53569   109.85227    58.65183
   39    38 S   HC   _H4_    39     1.09587   112.46817   -68.60745
   40    38 S   HC   _H5_    40     1.09927   111.86611    51.94079
   41    38 S   HC   _H6_    41     1.09813   112.53064   170.81267
   42    33 S   S    _S1_    42     1.85246   108.59266   -64.57183
   43    42 S   CT   _C6_    43     1.82748   102.26746   179.45106
   44    43 S   HC   _H7_    44     1.09426   109.81881    58.47131
   45    43 S   HC   _H8_    45     1.09332   109.02857   -61.00587
   46    43 S   CT   _C7_    46     1.52822   110.33567   179.96574
   47    46 S   HC   _H9_    47     1.09598   109.03815   173.20569
   48    46 S   HC   _H10    48     1.09570   111.43746    54.72970
   49    46 S   N    _N4_    49     1.45240   112.95313   -66.49235
   50    49 S   H    _H11    50     1.01967   117.76097    90.14542
   51    49 S   C    _C8_    51     1.38483   122.89220   -87.50583
   52    51 S   O    _O34    52     1.22801   124.83236     0.68328
   53    51 S   CT   _C9_    53     1.51880   111.80877  -178.84699
   54    53 S   HC   _H12    54     1.09583   108.58274   -56.92489
   55    53 S   HC   _H13    55     1.09653   107.45807    59.73801
   56    53 S   CT   _C10    56     1.52352   113.01722  -179.93147
   57    56 S   HC   _H14    57     1.09492   111.49878   -48.42306
   58    56 S   HC   _H15    58     1.09538   109.56281  -168.05450
   59    56 S   N    _N5_    59     1.45228   111.67546    71.66039
   60    59 S   H    _H16    60     1.01556   117.43726   -89.21085
   61    59 S   C    _C11    61     1.38457   122.66571    88.10070
   62    61 S   O    _O35    62     1.22977   124.42067     1.83334
   63    61 S   CT   _C12    63     1.53042   113.11363  -179.25717
   64    63 S   HC   _H3_    64     1.09718   109.13610   -31.25359
   65    63 S   CT   _C13    65     1.55718   113.77743    91.72991
   66    63 S   OH   _O40    83     1.42599   107.20533  -146.78194
   67    66 S   HO   _H26    84     0.97262   107.57077    60.68975
   68    65 S   CT   _C14    66     1.54192   110.96949   -62.56988
   69    68 S   HC   _H17    67     1.09480   111.64216    68.47672
   70    68 S   HC   _H18    68     1.09564   111.11005   -52.27269
   71    68 S   HC   _H19    69     1.09577   111.42238  -171.90005
   72    65 S   CT   _C15    70     1.54653   108.73612   179.30002
   73    72 S   HC   _H20    71     1.09550   111.52731   -64.35763
   74    72 S   HC   _H21    72     1.09579   111.67708   175.46806
   75    72 S   HC   _H22    73     1.09601   110.92141    55.80833
   76    65 S   CT   _C16    74     1.54802   110.84590    59.50066
   77    76 S   HC   _H23    75     1.09510   111.16161    57.36777
   78    76 S   HC   _H24    76     1.09457   110.23854   -61.89296
   79    76 S   OS   _O36    77     1.42440   111.05747   176.65473
   80    79 S   P2   _P1_    78     1.63109   119.13639   139.25399
   81    80 S   O2Z  _O39    79     1.51034   108.76070   176.09635
   82    80 S   O2Z  _O37    80     1.51380   109.89797    41.79857
   83    80 S   OS   _O38    81     1.62951    98.95452   -71.22418
   84    83 S   HO   _H25    82     0.98442   116.84816   -82.29079
  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   8   5   4   3
  10   6   2   1   1   5   3   2   1   7   8   5   4   7   4   3
   7   3   8   4   8   5   4   7   4   3   7   3   9   4  16   6
  15   4   1  11   4   3   2   7   3   2   1   7   3   2   5   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43  
   40    41    42  
   41    42  
   42  
   43    44    45    46    47    48    49  
   44    45    46    47    48    49    50    51  
   45    46    47    48    49  
   46    47    48    49  
   47    48    49    50    51    52    53  
   48    49    50    51  
   49    50    51  
   50    51    52    53    54    55    56  
   51    52    53  
   52    53    54    55    56    57    58    59  
   53    54    55    56  
   54    55    56    57    58    59    60    61  
   55    56    57    58    59  
   56    57    58    59  
   57    58    59    60    61    62    63  
   58    59    60    61  
   59    60    61  
   60    61    62    63    64    65    66  
   61    62    63  
   62    63    64    65    68    72    76    66    67  
   63    64    65    66  
   64    65    68    69    70    71    72    73    74    75    76    77    78    79    66    67  
   65    68    72    76    66    67  
   68    69    70    71    72    73    74    75    76    77    78    79    80    66    67  
   67    68    72    76  
    0  
   69    70    71    72    73    74    75    76    77    78    79  
   70    71    72    76  
   71    72    76  
   72    76  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76  
   77    78    79    80    81    82    83  
   78    79    80  
   79    80  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   43   3.5000   0.0660   0.047500   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   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   50   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   51   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   60   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   61   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.080000   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   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   80   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   81   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   82   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   83   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.380000   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    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   570.000  1.307
   33    38   268.000  1.529
   33    42   222.000  1.810
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   222.000  1.810
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   337.000  1.449
   49    50   434.000  1.010
   49    51   490.000  1.335
   51    52   570.000  1.229
   51    53   317.000  1.522
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   337.000  1.449
   59    60   434.000  1.010
   59    61   490.000  1.335
   61    62   570.000  1.229
   61    63   317.000  1.522
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    66   320.000  1.410
   65    68   268.000  1.529
   65    72   268.000  1.529
   65    76   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   320.000  1.410
   79    80   230.000  1.697
   80    81   525.000  1.480
   80    82   525.000  1.480
   80    83   230.000  1.697
   83    84   553.000  0.945
   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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    42    75.00000  118.28000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    62.00000   98.90000
   38    33    34    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    85.00000  114.68000
   42    33    38    75.00000  111.63000
   42    43    44    35.00000  109.50000
   42    43    45    35.00000  109.50000
   42    43    46    75.00000  111.63000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    49    70.00000  110.72300
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    49    50    38.00000  118.40000
   46    49    51    50.00000  121.90000
   48    46    47    33.00000  107.80000
   49    46    47    35.00000  109.50000
   49    46    48    35.00000  109.50000
   49    51    52    80.00000  122.90000
   49    51    53    70.00000  116.60000
   51    49    50    35.00000  119.80000
   51    53    54    35.00000  109.50000
   51    53    55    35.00000  109.50000
   51    53    56    63.00000  111.10000
   53    51    52    80.00000  120.40000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    70.00000  110.72300
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    59    60    38.00000  118.40000
   56    59    61    50.00000  121.90000
   58    56    57    33.00000  107.80000
   59    56    57    35.00000  109.50000
   59    56    58    35.00000  109.50000
   59    61    62    80.00000  122.90000
   59    61    63    70.00000  116.60000
   61    59    60    35.00000  119.80000
   61    63    64    35.00000  109.50000
   61    63    65    63.00000  111.10000
   61    63    66    95.00000  109.52300
   63    61    62    80.00000  120.40000
   63    65    68    58.35000  112.70000
   63    65    72    58.35000  112.70000
   63    65    76    58.35000  112.70000
   63    66    67    55.00000  108.50000
   65    63    64    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    37.50000  110.70000
   65    72    73    37.50000  110.70000
   65    72    74    37.50000  110.70000
   65    72    75    37.50000  110.70000
   65    76    77    37.50000  110.70000
   65    76    78    37.50000  110.70000
   65    76    79    50.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    65    68    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    65    68    58.35000  112.70000
   76    65    72    58.35000  112.70000
   76    79    80   100.00000  120.50000
   78    76    77    33.00000  107.80000
   79    76    77    35.00000  109.50000
   79    76    78    35.00000  109.50000
   79    80    81   100.00000  108.23000
   79    80    82   100.00000  108.23000
   79    80    83    45.00000  102.60000
   80    83    84    45.00000  108.50000
   82    80    81   140.00000  119.90000
   83    80    81   100.00000  108.23000
   83    80    82   100.00000  108.23000
   66    63    64    35.00000  109.50000
   66    63    65    50.00000  109.50000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    42   0.08500  1.0 1.0
   24    29    33    42  -0.53150 -1.0 2.0
   24    29    33    42   0.48050  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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.08500  1.0 1.0
   29    33    42    43  -0.53150 -1.0 2.0
   29    33    42    43   0.48050  1.0 3.0
   33    42    43    44   0.32350  1.0 3.0
   33    42    43    45   0.32350  1.0 3.0
   33    42    43    46   0.01700  1.0 1.0
   33    42    43    46  -0.23550 -1.0 2.0
   33    42    43    46   0.21350  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    42    43   0.13850  1.0 1.0
   34    33    42    43  -1.34450 -1.0 2.0
   34    33    42    43   0.57400  1.0 3.0
   38    33    42    43   0.01700  1.0 1.0
   38    33    42    43  -0.23550 -1.0 2.0
   38    33    42    43   0.21350  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    43    46    47   0.15000  1.0 3.0
   42    43    46    48   0.15000  1.0 3.0
   42    43    46    49   0.56750  1.0 1.0
   42    43    46    49  -0.07550 -1.0 2.0
   42    43    46    49   0.20000  1.0 3.0
   43    46    49    50   0.00000  1.0 1.0
   43    46    49    51  -0.43950  1.0 1.0
   43    46    49    51  -0.08100 -1.0 2.0
   43    46    49    51   0.03350  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    49   0.15000  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    48   0.15000  1.0 3.0
   45    43    46    49   0.15000  1.0 3.0
   46    49    51    52   3.04450 -1.0 2.0
   46    49    51    53   1.49850  1.0 1.0
   46    49    51    53   1.53950 -1.0 2.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    51   0.00000  1.0 1.0
   48    46    49    50   0.00000  1.0 1.0
   48    46    49    51   0.00000  1.0 1.0
   49    51    53    54   0.00000  1.0 1.0
   49    51    53    55   0.00000  1.0 1.0
   49    51    53    56   1.39750  1.0 1.0
   49    51    53    56  -0.07950 -1.0 2.0
   49    51    53    56  -0.18750  1.0 3.0
   50    49    51    52   2.45000 -1.0 2.0
   50    49    51    53   2.45000 -1.0 2.0
   51    53    56    57  -0.11250  1.0 3.0
   51    53    56    58  -0.11250  1.0 3.0
   51    53    56    59  -2.10200  1.0 1.0
   51    53    56    59  -0.31600 -1.0 2.0
   51    53    56    59   0.13050  1.0 3.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    55   0.00000  1.0 1.0
   52    51    53    56   0.30150 -1.0 2.0
   53    56    59    60   0.00000  1.0 1.0
   53    56    59    61  -0.43950  1.0 1.0
   53    56    59    61  -0.08100 -1.0 2.0
   53    56    59    61   0.03350  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    59   0.15000  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    59   0.15000  1.0 3.0
   56    59    61    62   3.04450 -1.0 2.0
   56    59    61    63   1.49850  1.0 1.0
   56    59    61    63   1.53950 -1.0 2.0
   57    56    59    60   0.00000  1.0 1.0
   57    56    59    61   0.00000  1.0 1.0
   58    56    59    60   0.00000  1.0 1.0
   58    56    59    61   0.00000  1.0 1.0
   59    61    63    64   0.00000  1.0 1.0
   59    61    63    65   1.39750  1.0 1.0
   59    61    63    65  -0.07950 -1.0 2.0
   59    61    63    65  -0.18750  1.0 3.0
   59    61    63    66   0.00000  1.0 1.0
   60    59    61    62   2.45000 -1.0 2.0
   60    59    61    63   2.45000 -1.0 2.0
   61    63    65    68  -0.95700  1.0 1.0
   61    63    65    68  -0.18200 -1.0 2.0
   61    63    65    68   0.29450  1.0 3.0
   61    63    65    72  -0.95700  1.0 1.0
   61    63    65    72  -0.18200 -1.0 2.0
   61    63    65    72   0.29450  1.0 3.0
   61    63    65    76  -0.95700  1.0 1.0
   61    63    65    76  -0.18200 -1.0 2.0
   61    63    65    76   0.29450  1.0 3.0
   61    63    66    67   0.91850  1.0 1.0
   61    63    66    67   0.57950  1.0 3.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    65   0.30150 -1.0 2.0
   62    61    63    66   0.30150 -1.0 2.0
   63    65    68    69   0.15000  1.0 3.0
   63    65    68    70   0.15000  1.0 3.0
   63    65    68    71   0.15000  1.0 3.0
   63    65    72    73   0.15000  1.0 3.0
   63    65    72    74   0.15000  1.0 3.0
   63    65    72    75   0.15000  1.0 3.0
   63    65    76    77   0.15000  1.0 3.0
   63    65    76    78   0.15000  1.0 3.0
   63    65    76    79   0.62750  1.0 1.0
   63    65    76    79  -0.30950 -1.0 2.0
   63    65    76    79   0.27300  1.0 3.0
   64    63    65    68   0.15000  1.0 3.0
   64    63    65    72   0.15000  1.0 3.0
   64    63    65    76   0.15000  1.0 3.0
   64    63    66    67   0.19450  1.0 3.0
   65    63    66    67  -0.11600  1.0 1.0
   65    63    66    67  -0.09450 -1.0 2.0
   65    63    66    67   0.21250  1.0 3.0
   65    76    79    80  -2.65550  1.0 1.0
   65    76    79    80  -0.22350 -1.0 2.0
   65    76    79    80   0.24150  1.0 3.0
   68    65    72    73   0.15000  1.0 3.0
   68    65    72    74   0.15000  1.0 3.0
   68    65    72    75   0.15000  1.0 3.0
   68    65    76    77   0.15000  1.0 3.0
   68    65    76    78   0.15000  1.0 3.0
   68    65    76    79   0.62750  1.0 1.0
   68    65    76    79  -0.30950 -1.0 2.0
   68    65    76    79   0.27300  1.0 3.0
   72    65    68    69   0.15000  1.0 3.0
   72    65    68    70   0.15000  1.0 3.0
   72    65    68    71   0.15000  1.0 3.0
   72    65    76    77   0.15000  1.0 3.0
   72    65    76    78   0.15000  1.0 3.0
   72    65    76    79   0.62750  1.0 1.0
   72    65    76    79  -0.30950 -1.0 2.0
   72    65    76    79   0.27300  1.0 3.0
   76    65    68    69   0.15000  1.0 3.0
   76    65    68    70   0.15000  1.0 3.0
   76    65    68    71   0.15000  1.0 3.0
   76    65    72    73   0.15000  1.0 3.0
   76    65    72    74   0.15000  1.0 3.0
   76    65    72    75   0.15000  1.0 3.0
   76    79    80    81   0.00000  1.0 1.0
   76    79    80    82   0.00000  1.0 1.0
   76    79    80    83   0.05050  1.0 1.0
   76    79    80    83  -1.30700 -1.0 2.0
   76    79    80    83   0.91550  1.0 3.0
   77    76    79    80   0.03000  1.0 3.0
   78    76    79    80   0.03000  1.0 3.0
   79    80    83    84   0.00000  1.0 1.0
   81    80    83    84   0.00000  1.0 1.0
   82    80    83    84   0.00000  1.0 1.0
   66    63    65    68   0.86500  1.0 1.0
   66    63    65    68  -0.17500 -1.0 2.0
   66    63    65    68   0.20800  1.0 3.0
   66    63    65    72   0.86500  1.0 1.0
   66    63    65    72  -0.17500 -1.0 2.0
   66    63    65    72   0.20800  1.0 3.0
   66    63    65    76   0.86500  1.0 1.0
   66    63    65    76  -0.17500 -1.0 2.0
   66    63    65    76   0.20800  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
   50    51    49    46   1.00000 -1.0 2.0
   49    53    51    52  10.50000 -1.0 2.0
   60    61    59    56   1.00000 -1.0 2.0
   59    63    61    62  10.50000 -1.0 2.0
END
