* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    151    239     439
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02081    85.71512   -75.74945
    3     1 S   H    _H1_     3     1.02063    94.45991    32.74107
    4     1 S   H    _H2_     4     1.02128    33.58311   150.35684
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08491   110.56590    58.77998
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C17    36     1.84615    97.40882  -158.13098
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C15    37     1.55325   109.46137   -40.01308
   38    37 S   HC   _H13    38     1.09628   110.61322    57.16795
   39    37 S   HC   _H14    39     1.09715   109.64101   173.95162
   40    33 S   CT   _C19    74     1.54083   106.56602    76.76833
   41    40 S   HC   _H19    75     1.08459   109.19911    62.36136
   42    40 S   HC   _H20    76     1.08517   109.23604   -58.52983
   43    37 S   S    _S1_    40     1.82892   116.06790   -65.21921
   44    40 S   OS   _O4_    77     1.41114   107.97791  -178.09279
   45    43 S   C4T  _C16    41     1.83551    98.52918   -52.20305
   46    45 S   HC   _H15    42     1.09354   115.41959   -87.23800
   47    44 S   CO4  _C14    78     1.37258   116.17735  -179.97202
   48    47 S   O    _O3_    79     1.22383   125.67589    -0.02798
   49    45 S   C4T  _C12    43     1.54764   111.39047   138.21896
   50    49 S   HC   _H12    44     1.09677   113.49087   148.11940
   51    45 S   N4   _N6_    47     1.46728   111.28220    43.50598
   52    47 S   CT   _C18    80     1.49863   110.29323   179.96574
   53    52 S   HC   _H16    81     1.09360   109.81868   -89.95361
   54    52 S   HC   _H17    82     1.09243   109.89905   148.03927
   55    52 S   HC   _H18    83     1.09387   109.33646    29.04765
   56    49 S   C4   _C13    45     1.54292    85.08922  -100.13228
   57    56 S   O    _O33    46     1.20911   135.94542   166.67526
   58    33 S   CT1  _C20    48     1.54336   113.54180  -162.06669
   59    58 S   HC   _H21    49     1.09873   107.74122  -177.27509
   60    49 S   N    _N5_    54     1.46074   119.25784    15.55748
   61    60 S   H    _H11    55     1.00845   116.67660  -105.97062
   62    58 S   C    _C21    50     1.50069   117.49686   -59.78471
   63    62 S   OC3  _O5_    51     1.22211   125.08527    60.75454
   64    60 S   C    _C5_    56     1.37979   122.69723    73.92673
   65    64 S   O    _O1_    57     1.23005   125.54590    -0.00000
   66    62 S   OH   _O6_    52     1.35535   110.69043  -119.15598
   67    66 S   HO   _H22    53     0.98158   111.94080   179.86583
   68    64 S   CT1  _C4_    58     1.52370   111.59150  -177.95388
   69    68 S   HC   _H5_    59     1.09653   108.88853   -32.01947
   70    68 S   NT   _N4_    60     1.44280   108.23174  -145.99620
   71    70 S   H    _H3_    61     1.00513   119.01771  -160.33425
   72    70 S   H    _H4_    62     1.00591   118.91641    32.96500
   73    68 S   CA   _C11    63     1.51164   111.78556    90.36460
   74    73 S   CA   _C9_    64     1.39432   119.97319    89.98765
   75    74 S   HA   _H9_    65     1.08683   120.53059     0.04846
   76    74 S   CA   _C7_    66     1.39496   119.99269  -179.98022
   77    76 S   HA   _H7_    67     1.08598   120.02333  -179.98022
   78    76 S   CA   _C6_    68     1.39465   120.01258     0.06256
   79    78 S   HA   _H6_    69     1.08608   120.01518  -179.88465
   80    78 S   CA   _C8_    70     1.39516   119.97530    -0.07402
   81    80 S   HA   _H8_    71     1.08569   119.99624  -179.84805
   82    73 S   CA   _C10    72     1.39481   120.00613   -90.02017
   83    82 S   HA   _H10    73     1.08671   120.48830     0.06256
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  17   2   1   1  14   5   4  11   4   3   8   7  12   6   5   4
  10   6   8   3   2   1   1   7   2   5   3   7   3   3   2   9
   4   1   1  11   6   5   2   1   9   8   4   6   3   5   3   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    58    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    51    58    59    62    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    45    56    51    58    59    62    63    66    40    41    42    44    47  
   35    36  
   36  
    0  
   38    39    43    45    46    49    51    58    59    62    40    41    42    44  
   39    43    45    58    40  
   43    45    58    40  
   41    42    44    47    48    52    43    51    58    59    62  
   42    44    47    58  
   44    47    58  
   45    46    49    50    56    51    58    60  
   47    48    52    53    54    55    58  
   46    49    50    56    57    51    58    59    62    60    61    64  
   49    50    56    51    58    60  
   48    52    53    54    55  
   52    53    54    55  
   50    56    57    51    58    60    61    64    65    68  
   56    57    51    60    61    64  
   58    59    62    63    66    60    56    57  
   53    54    55  
   54    55  
   55  
    0  
   57    58    59    62    60    61    64  
   58    60  
   59    62    63    66    67  
   62    63    66  
   61    64    65    68    69    70    73  
   64    65    68  
   63    66    67  
   66    67  
   65    68    69    70    71    72    73    74    82  
   68    69    70    73  
   67  
    0  
   69    70    71    72    73    74    75    76    80    82    83  
   70    71    72    73    74    82  
   71    72    73    74    82  
   72    73  
   73  
   74    75    76    77    78    80    81    82    83  
   75    76    77    78    79    80    82    83  
   76    77    78    82  
   77    78    79    80    81    82  
   78    79    80  
   79    80    81    82    83  
   80    81    82  
   81    82    83  
   82    83  
   83  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   43   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   58   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   61   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   62   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   64   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   66   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.278900   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   71   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   72   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    58   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   222.000  1.810
   43    45   200.000  1.824
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    51   305.000  1.456
   49    50   340.000  1.090
   49    56   250.000  1.540
   49    60   337.000  1.449
   56    57   930.000  1.212
   56    51   440.000  1.369
   51    58   337.000  1.449
   58    59   340.000  1.090
   58    62   317.000  1.522
   62    63   570.000  1.229
   62    66   450.000  1.364
   66    67   553.000  0.945
   60    61   434.000  1.010
   60    64   490.000  1.335
   64    65   570.000  1.229
   64    68   317.000  1.522
   68    69   340.000  1.090
   68    70   305.000  1.457
   68    73   275.000  1.474
   70    71   434.000  1.010
   70    72   434.000  1.010
   73    74   469.000  1.400
   73    82   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   367.000  1.080
   80    82   469.000  1.400
   82    83   367.000  1.080
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   320.000  1.410
   44    47   214.000  1.327
   47    48   570.000  1.229
   47    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    58    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    75.00000  111.63000
   33    58    51    80.00000  109.70000
   33    58    59    37.50000  110.70000
   33    58    62    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    50.00000  109.50000
   37    43    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    45.00000  109.41400
   43    45    49    65.00000  119.05700
   43    45    51    80.00000  108.62000
   45    49    50    37.50000  110.70000
   45    49    56   100.00000   86.36000
   45    49    60    80.00000  110.05700
   45    51    56   100.00000   93.00000
   45    51    58    50.00000  132.70000
   49    45    46    37.50000  110.70000
   49    56    57    60.00000  136.58000
   49    56    51    95.00000   92.72400
   49    60    61    38.00000  118.40000
   49    60    64    50.00000  121.90000
   56    49    50    40.00000  113.37500
   56    51    58    50.00000  132.10000
   51    45    46    50.00000  112.01000
   51    45    49   105.00000   87.49700
   51    56    57    75.00000  131.60000
   51    58    59    35.00000  109.50000
   51    58    62    63.00000  110.10000
   58    33    37    58.35000  112.70000
   58    62    63    75.00000  119.65400
   58    62    66    80.00000  116.87500
   62    58    59    35.00000  109.50000
   62    66    67    35.00000  113.00000
   66    62    63    80.00000  121.00000
   60    49    50    50.00000  112.01000
   60    49    56    75.00000  110.24000
   60    64    65    80.00000  122.90000
   60    64    68    70.00000  116.60000
   64    60    61    35.00000  119.80000
   64    68    69    35.00000  109.50000
   64    68    70    75.00000  111.54000
   64    68    73    70.00000  102.60000
   68    64    65    80.00000  120.40000
   68    70    71    50.00000  111.55300
   68    70    72    50.00000  111.55300
   68    73    74    60.00000  125.54000
   68    73    82    60.00000  125.54000
   70    68    69    50.00000  109.55000
   72    70    71    43.60000  106.40000
   73    68    69    45.00000  110.88000
   73    68    70    75.00000  112.33000
   73    74    75    35.00000  120.00000
   73    74    76    63.00000  120.00000
   73    82    80    63.00000  120.00000
   73    82    83    35.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    78    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    78    79    35.00000  120.00000
   76    78    80    63.00000  120.00000
   78    76    77    35.00000  120.00000
   78    80    81    35.00000  120.00000
   78    80    82    63.00000  120.00000
   80    78    79    35.00000  120.00000
   80    82    83    35.00000  120.00000
   82    73    74    63.00000  120.00000
   82    80    81    35.00000  120.00000
   40    33    37    58.35000  112.70000
   40    33    58    58.35000  112.70000
   40    44    47    83.00000  116.90000
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    47    48    83.00000  123.40000
   44    47    52    81.00000  111.40000
   47    52    53    35.00000  109.50000
   47    52    54    35.00000  109.50000
   47    52    55    35.00000  109.50000
   52    47    48    80.00000  120.40000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    58    51   0.71400  1.0 1.0
   29    33    58    51   0.04300 -1.0 2.0
   29    33    58    51   0.01450  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    62  -2.17200  1.0 1.0
   29    33    58    62  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    43    45  -0.25000 -1.0 2.0
   33    37    43    45  -0.01800  1.0 3.0
   33    58    62    63   0.27300 -1.0 2.0
   33    58    62    66   0.50000  1.0 1.0
   33    58    62    66   0.27300 -1.0 2.0
   33    58    62    66   0.22500  1.0 3.0
   33    40    44    47  -0.25900  1.0 1.0
   33    40    44    47  -0.47000 -1.0 2.0
   33    40    44    47   0.11750  1.0 3.0
   37    33    58    51   0.42250  1.0 1.0
   37    33    58    51  -0.48100 -1.0 2.0
   37    33    58    51   0.35650  1.0 3.0
   37    33    58    59   0.15000  1.0 3.0
   37    33    58    62  -0.84850  1.0 1.0
   37    33    58    62  -0.22800 -1.0 2.0
   37    33    58    62   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    44   0.62750  1.0 1.0
   37    33    40    44  -0.30950 -1.0 2.0
   37    33    40    44   0.27300  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    49   0.25150  1.0 1.0
   37    43    45    49  -1.17200 -1.0 2.0
   37    43    45    49   0.53050  1.0 3.0
   37    43   -45    51   0.01700  1.0 1.0
   37    43   -45    51  -0.23550 -1.0 2.0
   37    43   -45    51   0.21350  1.0 3.0
   38    37    43    45   0.32350  1.0 3.0
   39    37    43    45   0.32350  1.0 3.0
   43    45    49    50   0.00000  1.0 1.0
   43    45    49    56   0.00000  1.0 1.0
   43    45    49    60   0.00000  1.0 1.0
   43    45   -51    56   0.00000  1.0 1.0
   43    45    51    58   0.00000  1.0 1.0
   45    49    56    57  -0.11250  1.0 1.0
   45    49    56    57   0.11400 -1.0 2.0
   45    49    56    57  -0.28950  1.0 3.0
   45    49   -56    51   3.00000 -1.0 2.0
   45    49    60    61   0.00000  1.0 1.0
   45    49    60    64  -0.43950  1.0 1.0
   45    49    60    64  -0.08100 -1.0 2.0
   45    49    60    64   0.03350  1.0 3.0
   45    51   -58    33   0.00000  1.0 1.0
   45    51    58    59   0.00000  1.0 1.0
   45    51    58    62   0.00000  1.0 1.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    56   0.15000  1.0 3.0
   46    45    49    60   0.15000  1.0 3.0
   46    45   -51    56   0.00000  1.0 1.0
   46    45    51    58   0.00000  1.0 1.0
   49    45   -51    56   0.00000  1.0 1.0
   49    45    51    58   0.00000  1.0 1.0
   49    56   -51    45   3.00000 -1.0 2.0
   49    56   -51    58   3.00000 -1.0 2.0
   49    60    64    65   3.04450 -1.0 2.0
   49    60    64    68   1.15000  1.0 1.0
   49    60    64    68   3.04450 -1.0 2.0
   50    49    56    57   0.00000  1.0 1.0
   50    49    56    51   0.00000  1.0 1.0
   50    49    60    61   0.00000  1.0 1.0
   50    49    60    64   0.00000  1.0 1.0
   56    49    60    61   0.00000  1.0 1.0
   56    49    60    64  -0.42300  1.0 1.0
   56    49    60    64  -0.07000 -1.0 2.0
   56    49    60    64   0.04150  1.0 3.0
   56    51    58    33   0.00000  1.0 1.0
   56    51    58    59   0.00000  1.0 1.0
   56    51    58    62   0.00000  1.0 1.0
   57    56   -51    45   3.00000 -1.0 2.0
   57    56    51    58   3.00000 -1.0 2.0
   51    45   -49    50   0.15000  1.0 3.0
   51    45   -49    56   3.00000 -1.0 2.0
   51    45    49    60   2.20050  1.0 1.0
   51    45    49    60   0.63450 -1.0 2.0
   51    45    49    60  -0.91300  1.0 3.0
   51    58    62    63   0.00000  1.0 1.0
   51    58    62    66   0.40000  1.0 3.0
   58    33    37    38   0.15000  1.0 3.0
   58    33    37    39   0.15000  1.0 3.0
   58    33   -37    43   0.44750  1.0 1.0
   58    33   -37    43  -0.17800 -1.0 2.0
   58    33   -37    43   0.20200  1.0 3.0
   58    33    40    41   0.15000  1.0 3.0
   58    33    40    42   0.15000  1.0 3.0
   58    33    40    44   0.62750  1.0 1.0
   58    33    40    44  -0.30950 -1.0 2.0
   58    33    40    44   0.27300  1.0 3.0
   58    62    66    67   1.50000  1.0 1.0
   58    62    66    67   2.45000 -1.0 2.0
   59    58    62    63   0.00000  1.0 1.0
   59    58    62    66   0.00000  1.0 1.0
   63    62    66    67   2.45000 -1.0 2.0
   60    49    56    57   0.30150 -1.0 2.0
   60    49   -56    51   0.00000  1.0 1.0
   60    64    68    69   0.00000  1.0 1.0
   60    64    68    70   0.00000  1.0 1.0
   60    64    68    73   0.00000  1.0 1.0
   61    60    64    65   2.45000 -1.0 2.0
   61    60    64    68   2.45000 -1.0 2.0
   64    68    70    71   0.21900  1.0 1.0
   64    68    70    71  -0.24900 -1.0 2.0
   64    68    70    71   0.15200  1.0 3.0
   64    68    70    72   0.21900  1.0 1.0
   64    68    70    72  -0.24900 -1.0 2.0
   64    68    70    72   0.15200  1.0 3.0
   64    68    73    74   0.04300 -1.0 2.0
   64    68    73    82   0.04300 -1.0 2.0
   65    64    68    69   0.00000  1.0 1.0
   65    64    68    70   0.30150 -1.0 2.0
   65    64    68    73   0.30150 -1.0 2.0
   68    73    74    75   3.62500 -1.0 2.0
   68    73    74    76   3.62500 -1.0 2.0
   68    73    82    80   3.62500 -1.0 2.0
   68    73    82    83   3.62500 -1.0 2.0
   69    68    70    71   0.20000  1.0 3.0
   69    68    70    72   0.20000  1.0 3.0
   69    68    73    74   0.00000  1.0 1.0
   69    68    73    82   0.00000  1.0 1.0
   70    68    73    74   0.18550 -1.0 2.0
   70    68    73    74   0.14000  1.0 3.0
   70    68    73    82   0.18550 -1.0 2.0
   70    68    73    82   0.14000  1.0 3.0
   73    68    70    71   0.76500  1.0 1.0
   73    68    70    71   0.05700 -1.0 2.0
   73    68    70    71  -0.90900  1.0 3.0
   73    68    70    72   0.76500  1.0 1.0
   73    68    70    72   0.05700 -1.0 2.0
   73    68    70    72  -0.90900  1.0 3.0
   73    74    76    77   3.62500 -1.0 2.0
   73    74    76    78   3.62500 -1.0 2.0
   74    73    82    80   3.62500 -1.0 2.0
   74    73    82    83   3.62500 -1.0 2.0
   74    76    78    79   3.62500 -1.0 2.0
   74    76   -78    80   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    78   3.62500 -1.0 2.0
   76    78    80    81   3.62500 -1.0 2.0
   76    78    80    82   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   77    76    78    80   3.62500 -1.0 2.0
   78    80   -82    73   3.62500 -1.0 2.0
   78    80    82    83   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   79    78    80    82   3.62500 -1.0 2.0
   81    80    82    73   3.62500 -1.0 2.0
   81    80    82    83   3.62500 -1.0 2.0
   82    73    74    75   3.62500 -1.0 2.0
   82    73   -74    76   3.62500 -1.0 2.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.44750  1.0 1.0
   40    33    37    43  -0.17800 -1.0 2.0
   40    33    37    43   0.20200  1.0 3.0
   40    33    58    51   0.42250  1.0 1.0
   40    33    58    51  -0.48100 -1.0 2.0
   40    33    58    51   0.35650  1.0 3.0
   40    33    58    59   0.15000  1.0 3.0
   40    33    58    62  -0.84850  1.0 1.0
   40    33    58    62  -0.22800 -1.0 2.0
   40    33    58    62   0.29250  1.0 3.0
   40    44    47    48   3.00000 -1.0 2.0
   40    44    47    52   1.63150  1.0 1.0
   40    44    47    52   2.92000 -1.0 2.0
   41    40    44    47   0.08050  1.0 3.0
   42    40    44    47   0.08050  1.0 3.0
   44    47    52    53   0.00000  1.0 1.0
   44    47    52    54   0.00000  1.0 1.0
   44    47    52    55   0.00000  1.0 1.0
   48    47    52    53   0.00000  1.0 1.0
   48    47    52    54   0.00000  1.0 1.0
   48    47    52    55   0.00000  1.0 1.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   49    51    56    57  10.50000 -1.0 2.0
   58    56    51    45   1.00000 -1.0 2.0
   58    66    62    63  10.50000 -1.0 2.0
   61    64    60    49   1.00000 -1.0 2.0
   60    68    64    65  10.50000 -1.0 2.0
   74    82    73    68   4.00000 -1.0 2.0
   76    75    74    73   1.10000 -1.0 2.0
   78    77    76    74   1.10000 -1.0 2.0
   80    79    78    76   1.10000 -1.0 2.0
   82    81    80    78   1.10000 -1.0 2.0
   80    83    82    73   1.10000 -1.0 2.0
   44    52    47    48  10.50000 -1.0 2.0
END
