* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    155    232     451
    1     0 S   NP   _N1_     1    28.82667    98.27297   -22.02508
    2     1 S   H    _HN1     2     1.02957    67.68238   -13.10526
    3     1 S   H    _H1_     3     1.02833    43.16322   141.30641
    4     1 S   H    _H2_     4     1.02770   104.10820  -117.41225
    5     1 S   CT   _CA1     5     1.50143   141.52399    81.94506
    6     5 S   HC   _HA1     6     1.09575   105.17460    98.39508
    7     5 S   CO3  _C1_     7     1.53749   112.14443   -21.67944
    8     7 S   O2Z  _O11     8     1.26364   114.97182   -47.62106
    9     7 S   O2Z  _O12     9     1.26199   114.91701   131.04567
   10     5 S   CT   _CB1    10     1.53078   107.35762  -143.82734
   11    10 S   HC   HB11    11     1.09831   109.23354   -50.69152
   12    10 S   HC   HB12    12     1.09801   110.58755    65.90169
   13    10 S   CT   _CG1    13     1.52930   112.56132  -171.66436
   14    13 S   HC   HG11    14     1.09591   110.67969   -66.33458
   15    13 S   HC   HG12    15     1.09441   109.59629    52.80792
   16    13 S   C    _CD1    16     1.51783   112.35106   172.77659
   17    16 S   O    _OE1    17     1.22776   123.32290     4.00673
   18    16 S   N    _N2_    18     1.38531   111.76356  -175.86455
   19    18 S   H    _HN2    19     1.01557   118.92877     1.01703
   20    18 S   CT1  _CA2    20     1.46025   123.01939   178.74290
   21    20 S   HC   _HA2    21     1.09682   109.77992    25.63021
   22    20 S   C    _C2_    22     1.52808   105.05175   -91.86951
   23    22 S   O    _O2_    23     1.22975   122.58485   -87.60302
   24    20 S   CT   _CB2    32     1.53343   111.59345   148.74050
   25    24 S   HC   HB21    33     1.09203   109.65609    54.60686
   26    24 S   HC   HB22    34     1.09485   109.82246   173.21540
   27    22 S   N    _N3_    24     1.38528   112.90657    88.46603
   28    27 S   H    _HN3    25     1.01571   119.55294     3.21790
   29    24 S   S    _SG2    35     1.82569   110.47328   -67.01048
   30    27 S   CT   _CA3    26     1.45377   122.70085  -179.36296
   31    30 S   HC   HA31    27     1.09557   108.60974    36.81194
   32    30 S   HC   HA32    28     1.09484   107.29981   153.64524
   33    29 S   CT   _C21    36     1.86290   102.32227   160.60233
   34    33 S   OM   _O40    37     1.32072   107.29541  -176.67063
   35    30 S   CO3  _C3_    29     1.52951   113.53497   -86.23050
   36    35 S   O2Z  _O31    30     1.26370   115.59415   -42.05068
   37    35 S   O2Z  _O32    31     1.26392   114.83503   138.80019
   38    33 S   CT   _C20    38     1.55275   113.97920   -56.40844
   39    38 S   HC   _H18    39     1.10053   109.99031  -169.73312
   40    38 S   HC   _H19    40     1.09745   109.39008    74.28680
   41    33 S   CT   _C22    78     1.55578   107.07539    67.04108
   42    41 S   HC   _H20    79     1.09886   110.28413   -62.28653
   43    41 S   HC   _H21    80     1.10032   111.51127    54.25261
   44    38 S   CO4  _C19    41     1.53504   119.39604   -48.18627
   45    44 S   O    _O38    42     1.22952   123.82240     1.70869
   46    41 S   CO4  _C23    81     1.52436   115.36598   179.31672
   47    46 S   O    _O39    82     1.22653   122.85870    76.06511
   48    44 S   CT   _C18    43     1.52588   115.32343  -178.03666
   49    48 S   HC   _H16    44     1.09618   109.76329    -9.96535
   50    48 S   HC   _H17    45     1.09416   107.74001   105.18677
   51    46 S   S    _S1_    83     1.76717   114.86470  -105.23891
   52    48 S   CM   _C9_    46     1.51121   110.41448  -130.30292
   53    51 S   CT   _C24    84     1.80544   100.17851   170.10018
   54    53 S   HC   _H22    85     1.09323   109.28622  -178.25168
   55    53 S   HC   _H23    86     1.09335   110.56024    62.41741
   56    53 S   HC   _H24    87     1.09341   110.49693   -58.89988
   57    52 S   CM   _C8_    47     1.34833   124.99536  -105.33975
   58    57 S   CT   _C17    48     1.50494   124.02702  -179.69099
   59    58 S   HC   _H3_    49     1.09657   107.99333  -135.24469
   60    57 S   CO4  _C7_    67     1.49331   119.69453     3.16725
   61    60 S   O    _O34    68     1.22885   120.31678    67.00543
   62    58 S   CA   _C16    50     1.51388   114.58655   -14.29644
   63    58 S   OH   _O35    65     1.42780   108.45675   108.07065
   64    63 S   HO   _H13    66     0.97280   107.71449  -173.08310
   65    60 S   CT   _C6_    69     1.51142   117.10690  -115.24659
   66    65 S   HC   _H7_    70     1.09494   110.13697    25.72241
   67    65 S   HC   _H8_    71     1.09529   107.13314   -92.67855
   68    62 S   CA   _C11    51     1.40582   120.32427    14.84396
   69    65 S   CO4  _C5_    72     1.51257   114.76294   146.22267
   70    69 S   O    _O33    73     1.23030   122.51278   -28.06413
   71    68 S   CA   _C12    52     1.40404   119.75897   179.01862
   72    71 S   HA   _H11    53     1.08680   119.67775  -179.03429
   73    52 S   CT   _C10    62     1.51284   114.57555    76.60571
   74    73 S   HC   _H9_    63     1.09709   108.81659    72.58022
   75    73 S   HC   _H10    64     1.09651   108.56131   -44.26378
   76    69 S   CT   _C4_    74     1.50624   116.42353   154.96144
   77    76 S   HC   _H4_    75     1.09272   109.54113    60.77711
   78    76 S   HC   _H5_    76     1.09282   109.62341   -60.31179
   79    76 S   HC   _H6_    77     1.09355   109.72522  -179.61134
   80    71 S   CA   _C13    54     1.39234   120.23621     1.22733
   81    80 S   CA   _C14    55     1.38900   120.73634    -1.24757
   82    81 S   HA   _H12    56     1.08595   119.96353  -179.45824
   83    80 S   OH   _O37    60     1.36614   120.96328   178.81799
   84    83 S   HO   _H15    61     0.97316   108.60153    -2.19250
   85    62 S   CA   _C15    57     1.40565   120.93620  -165.87966
   86    85 S   OH   _O36    58     1.36990   118.83061    -0.24469
   87    86 S   HO   _H14    59     0.97243   108.81711   179.88297
  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  10   5   4   3
  13   8   2   1   1  12   5   4   7   4   3   7   4   6   2  10
   4   3   4  13   3   2   1   1  16  13   6  10   4  14   3   1
   8   4   3  10   5   4  10   4   4   1   1   3   2   1   1   6
   6   3   2   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    41    42    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    48    41    42    43    46    47    51  
   38    39    40    44    41    42    43    46  
   36    37  
   37  
    0  
   39    40    44    45    48    49    50    52    41    42    43    46  
   40    44    45    48    41  
   44    45    48    41  
   42    43    46    47    51    53    44  
   43    46    47    51  
   46    47    51  
   45    48    49    50    52    57    73  
   48    49    50    52  
   47    51    53    54    55    56  
   51    53  
   49    50    52    57    58    68    73    74    75    60  
   50    52    57    73  
   52    57    73  
   53    54    55    56  
   57    58    59    62    68    71    73    74    75    63    60    61    65  
   54    55    56  
   55    56  
   56  
    0  
   58    59    62    68    85    73    74    75    63    64    60    61    65    66    67    69  
   59    62    68    71    81    85    86    73    63    64    60    61    65  
   62    68    85    63    64    60  
   61    65    66    67    69    70    76    62    63    73  
   65    66    67    69  
   68    71    72    80    81    82    85    86    87    73    74    75    63    64  
   64    68    85  
    0  
   66    67    69    70    76    77    78    79  
   67    69    70    76  
   69    70    76  
   71    72    80    81    85    86    83    73    74    75  
   70    76    77    78    79  
   76    77    78    79  
   72    80    81    82    85    83    84    73    74    75  
   80    81    83    73  
   74    75    80    85  
   75  
    0  
   77    78    79  
   78    79  
   79  
    0  
   81    82    85    86    83    84  
   82    85    86    87    83    84  
   85    86    83  
   84    85  
    0  
   86    87  
   87  
    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  -0.012500   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660  -0.012500   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   86   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.435000   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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    44   317.000  1.522
   44    45   570.000  1.229
   44    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   317.000  1.510
   52    57   549.000  1.340
   52    73   317.000  1.510
   57    58   317.000  1.510
   57    60   320.000  1.462
   58    59   340.000  1.090
   58    62   317.000  1.510
   58    63   320.000  1.410
   62    68   469.000  1.400
   62    85   469.000  1.400
   68    71   469.000  1.400
   68    73   317.000  1.510
   71    72   367.000  1.080
   71    80   469.000  1.400
   80    81   469.000  1.400
   80    83   450.000  1.364
   81    82   367.000  1.080
   81    85   469.000  1.400
   85    86   450.000  1.364
   86    87   553.000  0.945
   83    84   553.000  0.945
   73    74   340.000  1.090
   73    75   340.000  1.090
   63    64   553.000  0.945
   60    61   570.000  1.229
   60    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    69   317.000  1.522
   69    70   570.000  1.229
   69    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   317.000  1.522
   46    47   570.000  1.229
   46    51   210.000  1.799
   51    53   222.000  1.810
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    44    63.00000  111.10000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    46    63.00000  111.10000
   38    33    34    50.00000  109.50000
   38    44    45    80.00000  120.40000
   38    44    48    70.00000  116.00000
   40    38    39    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    40    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    52    70.00000  109.06800
   48    44    45    80.00000  120.40000
   48    52    57    70.00000  124.00000
   48    52    73    65.00000  117.92700
   50    48    49    33.00000  107.80000
   52    48    49    35.00000  109.50000
   52    48    50    35.00000  109.50000
   52    57    58    70.00000  124.00000
   52    57    60    65.00000  118.96000
   52    73    68    70.00000  112.99600
   52    73    74    35.00000  109.50000
   52    73    75    35.00000  109.50000
   57    58    59    35.00000  109.50000
   57    58    62    70.00000  112.99600
   57    58    63    90.00000  110.39200
   57    60    61    80.00000  123.72100
   57    60    65    65.00000  118.62400
   58    62    68    70.00000  120.00000
   58    62    85    70.00000  120.00000
   58    63    64    55.00000  108.50000
   62    58    59    35.00000  109.50000
   62    68    71    63.00000  120.00000
   62    68    73    70.00000  120.00000
   62    85    81    63.00000  120.00000
   62    85    86    70.00000  120.00000
   68    71    72    35.00000  120.00000
   68    71    80    63.00000  120.00000
   68    73    74    35.00000  109.50000
   68    73    75    35.00000  109.50000
   71    80    81    63.00000  120.00000
   71    80    83    70.00000  120.00000
   80    71    72    35.00000  120.00000
   80    81    82    35.00000  120.00000
   80    81    85    63.00000  120.00000
   80    83    84    35.00000  113.00000
   81    85    86    70.00000  120.00000
   85    62    68    63.00000  120.00000
   85    81    82    35.00000  120.00000
   85    86    87    35.00000  113.00000
   83    80    81    70.00000  120.00000
   73    52    57    70.00000  124.00000
   73    68    71    70.00000  120.00000
   75    73    74    33.00000  107.80000
   63    58    59    35.00000  109.50000
   63    58    62    90.00000  112.51600
   60    57    58    65.00000  116.34900
   60    65    66    35.00000  109.50000
   60    65    67    35.00000  109.50000
   60    65    69    75.00000  107.99600
   65    60    61    80.00000  120.40000
   65    69    70    80.00000  120.40000
   65    69    76    70.00000  116.00000
   67    65    66    33.00000  107.80000
   69    65    66    35.00000  109.50000
   69    65    67    35.00000  109.50000
   69    76    77    35.00000  109.50000
   69    76    78    35.00000  109.50000
   69    76    79    35.00000  109.50000
   76    69    70    80.00000  120.40000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   41    33    34    50.00000  109.50000
   41    33    38    58.35000  112.70000
   41    46    47    80.00000  120.40000
   41    46    51    70.00000  114.16300
   43    41    42    33.00000  107.80000
   46    41    42    35.00000  109.50000
   46    41    43    35.00000  109.50000
   46    51    53    90.00000   96.72000
   51    46    47    80.00000  121.30200
   51    53    54    35.00000  109.50000
   51    53    55    35.00000  109.50000
   51    53    56    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    46   0.56750  1.0 1.0
   29    33    41    46  -0.07550 -1.0 2.0
   29    33    41    46   0.20000  1.0 3.0
   33    38    44    45   0.30150 -1.0 2.0
   33    38    44    48   0.60050  1.0 1.0
   33    38    44    48   0.05600 -1.0 2.0
   33    38    44    48   0.26150  1.0 3.0
   33    41    46    47   0.30150 -1.0 2.0
   33    41    46    51   0.00000  1.0 1.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    44  -0.09450  1.0 1.0
   34    33    38    44  -1.12950 -1.0 2.0
   34    33    38    44   0.54000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    43   0.23400  1.0 3.0
   34    33    41    46  -0.09450  1.0 1.0
   34    33    41    46  -1.12950 -1.0 2.0
   34    33    41    46   0.54000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    43   0.15000  1.0 3.0
   38    33    41    46  -0.95700  1.0 1.0
   38    33    41    46  -0.18200 -1.0 2.0
   38    33    41    46   0.29450  1.0 3.0
   38    44    48    49   0.00000  1.0 1.0
   38    44    48    50   0.00000  1.0 1.0
   38    44    48    52   0.65300  1.0 1.0
   38    44    48    52  -0.03850 -1.0 2.0
   38    44    48    52   0.33900  1.0 3.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    48   0.00000  1.0 1.0
   40    38    44    45   0.00000  1.0 1.0
   40    38    44    48   0.00000  1.0 1.0
   44    48    52    57  -0.51250  1.0 1.0
   44    48    52    57  -0.88800 -1.0 2.0
   44    48    52    57   0.08850  1.0 3.0
   44    48    52    73   0.17250  1.0 1.0
   44    48    52    73  -0.04100 -1.0 2.0
   44    48    52    73  -0.33850  1.0 3.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    50   0.00000  1.0 1.0
   45    44    48    52   0.30150 -1.0 2.0
   48    52    57    58   7.00000 -1.0 2.0
   48    52    57    60   7.00000 -1.0 2.0
   48    52    73    68   0.09700  1.0 1.0
   48    52    73    68   0.15600 -1.0 2.0
   48    52    73    68  -0.50800  1.0 3.0
   48    52    73    74   0.34800  1.0 3.0
   48    52    73    75   0.34800  1.0 3.0
   49    48    52    57   0.00000  1.0 1.0
   49    48    52    73   0.34800  1.0 3.0
   50    48    52    57   0.00000  1.0 1.0
   50    48    52    73   0.34800  1.0 3.0
   52    57    58    59   0.00000  1.0 1.0
   52    57    58    62   1.44450  1.0 1.0
   52    57    58    62   0.06600 -1.0 2.0
   52    57    58    62   0.29250  1.0 3.0
   52    57    58    63   0.67800  1.0 1.0
   52    57    58    63   0.47050 -1.0 2.0
   52    57    58    63  -0.62500  1.0 3.0
   52    57    60    61   1.00000 -1.0 2.0
   52    57    60    65  -0.33500  1.0 1.0
   52    57    60    65   1.06600 -1.0 2.0
   52    57    60    65  -0.14000  1.0 3.0
   57    52    73    68   1.44450  1.0 1.0
   57    52    73    68   0.06600 -1.0 2.0
   57    52    73    68   0.29250  1.0 3.0
   57    52    73    74   0.00000  1.0 1.0
   57    52    73    75   0.00000  1.0 1.0
   57    58   -62    68   0.18050 -1.0 2.0
   57    58    62    85   0.18050 -1.0 2.0
   57    58    63    64  -0.07800  1.0 1.0
   57    58    63    64  -0.21500 -1.0 2.0
   57    58    63    64  -0.03150  1.0 3.0
   57    60    65    66   0.00000  1.0 1.0
   57    60    65    67   0.00000  1.0 1.0
   57    60    65    69   0.65300  1.0 1.0
   57    60    65    69  -0.03850 -1.0 2.0
   57    60    65    69   0.33900  1.0 3.0
   58    57    60    61  -0.64400  1.0 1.0
   58    57    60    61   0.26850 -1.0 2.0
   58    57    60    65   0.25700  1.0 1.0
   58    57    60    65   0.66200 -1.0 2.0
   58    57    60    65   0.04450  1.0 3.0
   58    62    68    71   3.62500 -1.0 2.0
   58    62    68    73   3.62500 -1.0 2.0
   58    62    85    81   3.62500 -1.0 2.0
   58    62    85    86   3.62500 -1.0 2.0
   59    58    62    68   0.00000  1.0 1.0
   59    58    62    85   0.00000  1.0 1.0
   59    58    63    64   0.19450  1.0 3.0
   62    58    63    64   0.31900  1.0 1.0
   62    58    63    64  -0.11800 -1.0 2.0
   62    58    63    64   0.38750  1.0 3.0
   62    68    71    72   3.62500 -1.0 2.0
   62    68    71    80   3.62500 -1.0 2.0
   62    68   -73    52   0.18050 -1.0 2.0
   62    68    73    74   0.00000  1.0 1.0
   62    68    73    75   0.00000  1.0 1.0
   62    85    86    87   0.84100 -1.0 2.0
   68    62    85    81   3.62500 -1.0 2.0
   68    62    85    86   3.62500 -1.0 2.0
   68    71   -80    81   3.62500 -1.0 2.0
   68    71    80    83   3.62500 -1.0 2.0
   71    68    73    52   0.18050 -1.0 2.0
   71    68    73    74   0.00000  1.0 1.0
   71    68    73    75   0.00000  1.0 1.0
   71    80    81    82   3.62500 -1.0 2.0
   71    80    81    85   3.62500 -1.0 2.0
   71    80    83    84   0.84100 -1.0 2.0
   72    71    80    81   3.62500 -1.0 2.0
   72    71    80    83   3.62500 -1.0 2.0
   80    81   -85    62   3.62500 -1.0 2.0
   80    81    85    86   3.62500 -1.0 2.0
   81    80    83    84   0.84100 -1.0 2.0
   81    85    86    87   0.84100 -1.0 2.0
   82    81    85    62   3.62500 -1.0 2.0
   82    81    85    86   3.62500 -1.0 2.0
   85    62   -68    71   3.62500 -1.0 2.0
   85    62    68    73   3.62500 -1.0 2.0
   83    80    81    82   3.62500 -1.0 2.0
   83    80    81    85   3.62500 -1.0 2.0
   73    52   -57    58   7.00000 -1.0 2.0
   73    52    57    60   7.00000 -1.0 2.0
   73    68    71    72   3.62500 -1.0 2.0
   73    68    71    80   3.62500 -1.0 2.0
   63    58    62    68   0.14300 -1.0 2.0
   63    58    62    68   0.00300  1.0 3.0
   63    58    62    85   0.14300 -1.0 2.0
   63    58    62    85   0.00300  1.0 3.0
   60    57    58    59   0.15000  1.0 3.0
   60    57    58    62   0.09700  1.0 1.0
   60    57    58    62   0.15600 -1.0 2.0
   60    57    58    62  -0.50800  1.0 3.0
   60    57    58    63   0.09700  1.0 1.0
   60    57    58    63   0.15600 -1.0 2.0
   60    57    58    63  -0.50800  1.0 3.0
   60    65    69    70   0.30150 -1.0 2.0
   60    65    69    76   0.65300  1.0 1.0
   60    65    69    76  -0.03850 -1.0 2.0
   60    65    69    76   0.33900  1.0 3.0
   61    60    65    66   0.00000  1.0 1.0
   61    60    65    67   0.00000  1.0 1.0
   61    60    65    69   0.30150 -1.0 2.0
   65    69    76    77   0.00000  1.0 1.0
   65    69    76    78   0.00000  1.0 1.0
   65    69    76    79   0.00000  1.0 1.0
   66    65    69    70   0.00000  1.0 1.0
   66    65    69    76   0.00000  1.0 1.0
   67    65    69    70   0.00000  1.0 1.0
   67    65    69    76   0.00000  1.0 1.0
   70    69    76    77   0.00000  1.0 1.0
   70    69    76    78   0.00000  1.0 1.0
   70    69    76    79   0.00000  1.0 1.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    44  -0.95700  1.0 1.0
   41    33    38    44  -0.18200 -1.0 2.0
   41    33    38    44   0.29450  1.0 3.0
   41    46    51    53  -0.11550  1.0 1.0
   41    46    51    53   1.88700 -1.0 2.0
   42    41    46    47   0.00000  1.0 1.0
   42    41    46    51   0.00000  1.0 1.0
   43    41    46    47   0.00000  1.0 1.0
   43    41    46    51   0.00000  1.0 1.0
   46    51    53    54   0.24000  1.0 3.0
   46    51    53    55   0.24000  1.0 3.0
   46    51    53    56   0.24000  1.0 3.0
   47    46    51    53  -0.11550  1.0 1.0
   47    46    51    53   1.88700 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    48    44    45  10.50000 -1.0 2.0
   48    73    52    57   1.10000 -1.0 2.0
   60    58    57    52   1.10000 -1.0 2.0
   68    85    62    58   4.00000 -1.0 2.0
   71    73    68    62   4.00000 -1.0 2.0
   80    72    71    68   1.10000 -1.0 2.0
   81    83    80    71   4.00000 -1.0 2.0
   85    82    81    80   1.10000 -1.0 2.0
   81    86    85    62   4.00000 -1.0 2.0
   57    65    60    61  10.50000 -1.0 2.0
   65    76    69    70  10.50000 -1.0 2.0
   41    51    46    47  10.50000 -1.0 2.0
END
