* LIGAND DATABASE FILE (OPLS2005)
*
001      81    80    147    209     428
    1     0 S   NP   _N1_     1    28.74269    93.15005   -22.39295
    2     1 S   H    _HN1     2     1.02961    98.18895    18.58022
    3     1 S   H    _H1_     3     1.02841    20.78131   135.69384
    4     1 S   H    _H2_     4     1.02781    93.81455   -90.56473
    5     1 S   CT   _CA1     5     1.50126   131.30289   145.12194
    6     5 S   HC   _HA1     6     1.09561   105.29325    55.78389
    7     5 S   CO3  _C1_     7     1.53911   112.21832   -64.63862
    8     7 S   O2Z  _O11     8     1.26377   114.99920   -44.83701
    9     7 S   O2Z  _O12     9     1.26220   114.95584   134.25921
   10     5 S   CT   _CB1    10     1.53097   107.43558   173.91124
   11    10 S   HC   HB11    11     1.09821   109.73867   -48.13563
   12    10 S   HC   HB12    12     1.09829   110.20711    68.49418
   13    10 S   CT   _CG1    13     1.53028   112.60206  -169.14001
   14    13 S   HC   HG11    14     1.09599   110.38236   -57.03125
   15    13 S   HC   HG12    15     1.09616   110.15267    62.20825
   16    13 S   C    _CD1    16     1.51808   112.12255  -177.18951
   17    16 S   O    _OE1    17     1.22725   123.21652    -7.99775
   18    16 S   N    _N2_    18     1.38600   111.62326   171.65315
   19    18 S   H    _HN2    19     1.01570   119.09573     3.92436
   20    18 S   CT1  _CA2    20     1.46398   123.39108  -173.06268
   21    20 S   HC   _HA2    21     1.09724   109.44001    -9.87139
   22    20 S   C    _C2_    22     1.53337   108.66650  -125.94129
   23    22 S   O    _O2_    23     1.23013   122.25490  -146.52829
   24    20 S   CT   _CB2    32     1.53728   110.75617   111.81679
   25    24 S   HC   HB21    33     1.09288   108.47300    57.92063
   26    24 S   HC   HB22    34     1.09471   110.63305   176.63163
   27    22 S   N    _N3_    24     1.38519   113.37756    40.89709
   28    27 S   H    _HN3    25     1.01524   118.85303    -0.68813
   29    24 S   S    _SG2    35     1.83152   110.60119   -63.26228
   30    27 S   CT   _CA3    26     1.45444   123.49596   175.21373
   31    30 S   HC   HA31    27     1.09520   109.29987    23.24501
   32    30 S   HC   HA32    28     1.09498   107.10755   140.23845
   33    29 S   CT   _C8_    36     1.87266   102.91516   164.73449
   34    33 S   OM   _O33    37     1.31722   107.98572    70.19321
   35    30 S   CO3  _C3_    29     1.52913   113.06843  -100.28807
   36    35 S   O2Z  _O31    30     1.26406   115.37638   -45.62415
   37    35 S   O2Z  _O32    31     1.26353   115.00938   135.33227
   38    33 S   CT   _C7_    38     1.56088   111.56308   -50.44441
   39    38 S   HC   _H11    39     1.09984   108.20182   -38.76620
   40    38 S   HC   _H12    40     1.10088   110.02674    75.38775
   41    33 S   S    _S1_    51     1.87029   106.55143  -174.16360
   42    38 S   CT   _C5_    41     1.55574   119.62711  -160.64780
   43    42 S   HC   _H7_    42     1.09498   109.98974    57.20294
   44    41 S   CT   _C9_    52     1.82881   101.37351    62.80542
   45    44 S   HC   _H13    53     1.09420   109.25564   -77.58593
   46    44 S   HC   _H14    54     1.09016   109.30813    41.26600
   47    42 S   CT   _C4_    43     1.52890   113.56584   -64.34738
   48    47 S   HC   _H4_    44     1.09516   111.31586   -53.79604
   49    47 S   HC   _H5_    45     1.09570   110.70463  -173.63819
   50    47 S   HC   _H6_    46     1.09334   111.59959    67.56885
   51    42 S   CT   _C6_    47     1.53504   109.12375   173.68956
   52    51 S   HC   _H8_    48     1.09530   111.30927    61.98910
   53    51 S   HC   _H9_    49     1.09527   110.82754   -58.38112
   54    51 S   HC   _H10    50     1.09526   110.84754  -177.73540
   55    44 S   CT   _C10    55     1.53088   110.02178   161.97638
   56    55 S   HC   _H15    56     1.09784   109.71955   -57.59482
   57    55 S   HC   _H16    57     1.09892   108.71044    58.75636
   58    55 S   CT   _C11    58     1.54104   112.39431   179.35898
   59    58 S   HC   _H3_    59     1.09665   108.30697   -63.45740
   60    58 S   CT   _C12    60     1.54130   115.33612    57.14139
   61    60 S   HC   _H17    61     1.09848   109.37874   177.42557
   62    60 S   HC   _H18    62     1.09751   108.45341   -68.44189
   63    58 S   SH   _S2_    80     1.83330   108.87349  -178.11726
   64    63 S   HS   _H29    81     1.34111    96.58217    61.52312
   65    60 S   CT   _C13    63     1.53419   115.61695    53.74316
   66    65 S   HC   _H19    64     1.09557   110.26146    62.01390
   67    65 S   HC   _H20    65     1.09508   110.25969   -56.20658
   68    65 S   CT   _C14    66     1.53064   111.15747  -176.68105
   69    68 S   HC   _H21    67     1.09699   109.82564   -58.84660
   70    68 S   HC   _H22    68     1.09725   109.59319    58.17324
   71    68 S   CT   _C15    69     1.52692   111.17616   179.52895
   72    71 S   HC   _H23    70     1.09653   109.95849    61.57060
   73    71 S   HC   _H24    71     1.09645   109.97827   -57.06759
   74    71 S   C    _C16    72     1.51783   112.55837  -177.71133
   75    74 S   O    _O34    73     1.22751   123.39837    -2.09415
   76    74 S   N    _N4_    74     1.38611   111.73641   178.10835
   77    76 S   H    _H25    75     1.01516   119.41837     2.07302
   78    76 S   CT   _C17    76     1.44361   122.47241   179.58693
   79    78 S   HC   _H26    77     1.09287   108.35290   -89.21683
   80    78 S   HC   _H27    78     1.09242   108.51243   151.73805
   81    78 S   HC   _H28    79     1.09297   110.61070    30.94307
  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
  13   6   2   1   1  14   6   5   8   9   8   9   5   4   7   3
   2   1   3   2   1   1  10   5   4  10   6  11   6   5   2   1
   9   5   4   8   5   4   7   4   3   7   3   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    47    51    41    44    45    46    55  
   38    39    40    42    41    44  
   36    37  
   37  
    0  
   39    40    42    43    47    48    49    50    51    52    53    54    41    44  
   40    42    43    47    51    41  
   42    43    47    51    41  
   44    45    46    55    56    57    58    42  
   43    47    48    49    50    51    52    53    54  
   47    48    49    50    51    52    53    54  
   45    46    55    56    57    58    59    60    63  
   46    55    56    57    58  
   55    56    57    58  
   48    49    50    51    52    53    54  
   49    50    51  
   50    51  
   51  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58    59    60    61    62    65    63    64  
   57    58    59    60    63  
   58    59    60    63  
   59    60    61    62    65    66    67    68    63    64  
   60    61    62    65    63    64  
   61    62    65    66    67    68    69    70    71    63    64  
   62    65    66    67    68    63  
   65    66    67    68    63  
   64    65  
    0  
   66    67    68    69    70    71    72    73    74  
   67    68    69    70    71  
   68    69    70    71  
   69    70    71    72    73    74    75    76  
   70    71    72    73    74  
   71    72    73    74  
   72    73    74    75    76    77    78  
   73    74    75    76  
   74    75    76  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78    79    80    81  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    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  -0.120000   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   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.6000   0.4250  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   64   0.5000   0.0300   0.155000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   76   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   77   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   78   3.5000   0.0660   0.020000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   268.000  1.529
   33    41   222.000  1.810
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   268.000  1.529
   42    43   340.000  1.090
   42    47   268.000  1.529
   42    51   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   41    44   222.000  1.810
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    63   222.000  1.810
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   317.000  1.522
   74    75   570.000  1.229
   74    76   490.000  1.335
   76    77   434.000  1.010
   76    78   337.000  1.449
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   63    64   274.000  1.336
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  118.28000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    41    44    62.00000   98.90000
   38    33    34    50.00000  109.50000
   38    42    43    37.50000  110.70000
   38    42    47    58.35000  112.70000
   38    42    51    58.35000  112.70000
   40    38    39    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    37.50000  110.70000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    50    37.50000  110.70000
   42    51    52    37.50000  110.70000
   42    51    53    37.50000  110.70000
   42    51    54    37.50000  110.70000
   47    42    43    37.50000  110.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   51    42    43    37.50000  110.70000
   51    42    47    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   41    33    34    85.00000  114.68000
   41    33    38    75.00000  111.63000
   41    44    45    35.00000  109.50000
   41    44    46    35.00000  109.50000
   41    44    55    75.00000  111.63000
   44    55    56    37.50000  110.70000
   44    55    57    37.50000  110.70000
   44    55    58    58.35000  112.70000
   46    44    45    33.00000  107.80000
   55    44    45    37.50000  110.70000
   55    44    46    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    60    58.35000  112.70000
   55    58    63    50.00000  108.60000
   57    55    56    33.00000  107.80000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    60    61    37.50000  110.70000
   58    60    62    37.50000  110.70000
   58    60    65    58.35000  112.70000
   58    63    64    44.00000   96.00000
   60    58    59    37.50000  110.70000
   60    65    66    37.50000  110.70000
   60    65    67    37.50000  110.70000
   60    65    68    58.35000  112.70000
   62    60    61    33.00000  107.80000
   65    60    61    37.50000  110.70000
   65    60    62    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    71    72    37.50000  110.70000
   68    71    73    37.50000  110.70000
   68    71    74    63.00000  111.10000
   70    68    69    33.00000  107.80000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    74    75    80.00000  120.40000
   71    74    76    70.00000  116.60000
   73    71    72    33.00000  107.80000
   74    71    72    35.00000  109.50000
   74    71    73    35.00000  109.50000
   74    76    77    35.00000  119.80000
   74    76    78    50.00000  121.90000
   76    74    75    80.00000  122.90000
   76    78    79    35.00000  109.50000
   76    78    80    35.00000  109.50000
   76    78    81    35.00000  109.50000
   78    76    77    38.00000  118.40000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   63    58    59    35.00000  109.50000
   63    58    60    50.00000  108.60000
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   0.08500  1.0 1.0
   24    29    33    41  -0.53150 -1.0 2.0
   24    29    33    41   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    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    41    44   0.08500  1.0 1.0
   29    33    41    44  -0.53150 -1.0 2.0
   29    33    41    44   0.48050  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    47   0.56750  1.0 1.0
   33    38    42    47  -0.07550 -1.0 2.0
   33    38    42    47   0.20000  1.0 3.0
   33    38    42    51   0.56750  1.0 1.0
   33    38    42    51  -0.07550 -1.0 2.0
   33    38    42    51   0.20000  1.0 3.0
   33    41    44    45   0.32350  1.0 3.0
   33    41    44    46   0.32350  1.0 3.0
   33    41    44    55   0.01700  1.0 1.0
   33    41    44    55  -0.23550 -1.0 2.0
   33    41    44    55   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    42   0.62750  1.0 1.0
   34    33    38    42  -0.30950 -1.0 2.0
   34    33    38    42   0.27300  1.0 3.0
   34    33    41    44   0.13850  1.0 1.0
   34    33    41    44  -1.34450 -1.0 2.0
   34    33    41    44   0.57400  1.0 3.0
   38    33    41    44   0.01700  1.0 1.0
   38    33    41    44  -0.23550 -1.0 2.0
   38    33    41    44   0.21350  1.0 3.0
   38    42    47    48   0.15000  1.0 3.0
   38    42    47    49   0.15000  1.0 3.0
   38    42    47    50   0.15000  1.0 3.0
   38    42    51    52   0.15000  1.0 3.0
   38    42    51    53   0.15000  1.0 3.0
   38    42    51    54   0.15000  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    47   0.15000  1.0 3.0
   39    38    42    51   0.15000  1.0 3.0
   40    38    42    43   0.15000  1.0 3.0
   40    38    42    47   0.15000  1.0 3.0
   40    38    42    51   0.15000  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    50   0.15000  1.0 3.0
   43    42    51    52   0.15000  1.0 3.0
   43    42    51    53   0.15000  1.0 3.0
   43    42    51    54   0.15000  1.0 3.0
   47    42    51    52   0.15000  1.0 3.0
   47    42    51    53   0.15000  1.0 3.0
   47    42    51    54   0.15000  1.0 3.0
   51    42    47    48   0.15000  1.0 3.0
   51    42    47    49   0.15000  1.0 3.0
   51    42    47    50   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.44750  1.0 1.0
   41    33    38    42  -0.17800 -1.0 2.0
   41    33    38    42   0.20200  1.0 3.0
   41    44    55    56   0.15000  1.0 3.0
   41    44    55    57   0.15000  1.0 3.0
   41    44    55    58   0.44750  1.0 1.0
   41    44    55    58  -0.17800 -1.0 2.0
   41    44    55    58   0.20200  1.0 3.0
   44    55    58    59   0.15000  1.0 3.0
   44    55    58    60   0.56750  1.0 1.0
   44    55    58    60  -0.07550 -1.0 2.0
   44    55    58    60   0.20000  1.0 3.0
   44    55    58    63   0.43650  1.0 1.0
   45    44    55    56   0.15000  1.0 3.0
   45    44    55    57   0.15000  1.0 3.0
   45    44    55    58   0.15000  1.0 3.0
   46    44    55    56   0.15000  1.0 3.0
   46    44    55    57   0.15000  1.0 3.0
   46    44    55    58   0.15000  1.0 3.0
   55    58    60    61   0.15000  1.0 3.0
   55    58    60    62   0.15000  1.0 3.0
   55    58    60    65   0.56750  1.0 1.0
   55    58    60    65  -0.07550 -1.0 2.0
   55    58    60    65   0.20000  1.0 3.0
   55    58    63    64  -0.37950  1.0 1.0
   55    58    63    64  -0.15600 -1.0 2.0
   55    58    63    64   0.18750  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    63   0.15000  1.0 3.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    63   0.15000  1.0 3.0
   58    60    65    66   0.15000  1.0 3.0
   58    60    65    67   0.15000  1.0 3.0
   58    60    65    68   0.56750  1.0 1.0
   58    60    65    68  -0.07550 -1.0 2.0
   58    60    65    68   0.20000  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    62   0.15000  1.0 3.0
   59    58    60    65   0.15000  1.0 3.0
   59    58    63    64   0.22550  1.0 3.0
   60    58    63    64  -0.37950  1.0 1.0
   60    58    63    64  -0.15600 -1.0 2.0
   60    58    63    64   0.18750  1.0 3.0
   60    65    68    69   0.15000  1.0 3.0
   60    65    68    70   0.15000  1.0 3.0
   60    65    68    71   0.56750  1.0 1.0
   60    65    68    71  -0.07550 -1.0 2.0
   60    65    68    71   0.20000  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   61    60    65    67   0.15000  1.0 3.0
   61    60    65    68   0.15000  1.0 3.0
   62    60    65    66   0.15000  1.0 3.0
   62    60    65    67   0.15000  1.0 3.0
   62    60    65    68   0.15000  1.0 3.0
   65    68    71    72   0.15000  1.0 3.0
   65    68    71    73   0.15000  1.0 3.0
   65    68    71    74  -0.95700  1.0 1.0
   65    68    71    74  -0.18200 -1.0 2.0
   65    68    71    74   0.29450  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    71   0.15000  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    70   0.15000  1.0 3.0
   67    65    68    71   0.15000  1.0 3.0
   68    71    74    75   0.30150 -1.0 2.0
   68    71    74    76   1.39750  1.0 1.0
   68    71    74    76  -0.07950 -1.0 2.0
   68    71    74    76  -0.18750  1.0 3.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    73   0.15000  1.0 3.0
   69    68    71    74  -0.11250  1.0 3.0
   70    68    71    72   0.15000  1.0 3.0
   70    68    71    73   0.15000  1.0 3.0
   70    68    71    74  -0.11250  1.0 3.0
   71    74    76    77   2.45000 -1.0 2.0
   71    74    76    78   1.49850  1.0 1.0
   71    74    76    78   1.53950 -1.0 2.0
   72    71    74    75   0.00000  1.0 1.0
   72    71    74    76   0.00000  1.0 1.0
   73    71    74    75   0.00000  1.0 1.0
   73    71    74    76   0.00000  1.0 1.0
   74    76    78    79   0.00000  1.0 1.0
   74    76    78    80   0.00000  1.0 1.0
   74    76    78    81   0.00000  1.0 1.0
   75    74    76    77   2.45000 -1.0 2.0
   75    74    76    78   3.04450 -1.0 2.0
   77    76    78    79   0.00000  1.0 1.0
   77    76    78    80   0.00000  1.0 1.0
   77    76    78    81   0.00000  1.0 1.0
   63    58    60    61   0.15000  1.0 3.0
   63    58    60    62   0.15000  1.0 3.0
   63    58    60    65   0.43650  1.0 1.0
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
   71    76    74    75  10.50000 -1.0 2.0
   77    74    76    78   1.00000 -1.0 2.0
END
