* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    147    222     432
    1     0 S   NP   _N1_     1    28.52136    95.45475   -23.02761
    2     1 S   H    _HN1     2     1.02961    79.59321    28.06537
    3     1 S   H    _H1_     3     1.02835    33.56484   172.68681
    4     1 S   H    _H2_     4     1.02777    99.43261   -79.02686
    5     1 S   CT   _CA1     5     1.50143   140.41223   137.49287
    6     5 S   HC   _HA1     6     1.09579   105.18817    79.02997
    7     5 S   CO3  _C1_     7     1.53763   112.44108   -41.06418
    8     7 S   O2Z  _O11     8     1.26355   114.98873   -42.07385
    9     7 S   O2Z  _O12     9     1.26243   114.91596   136.98398
   10     5 S   CT   _CB1    10     1.53085   107.40444  -163.12198
   11    10 S   HC   HB11    11     1.09826   109.19903   -51.06233
   12    10 S   HC   HB12    12     1.09817   110.45251    65.44848
   13    10 S   CT   _CG1    13     1.53016   112.74426  -172.19933
   14    13 S   HC   HG11    14     1.09597   110.44226   -66.06816
   15    13 S   HC   HG12    15     1.09661   109.95270    53.15667
   16    13 S   C    _CD1    16     1.51837   112.33771   173.40186
   17    16 S   O    _OE1    17     1.22721   123.25510    -0.64102
   18    16 S   N    _N2_    18     1.38637   111.64548   179.81443
   19    18 S   H    _HN2    19     1.01570   119.00036     1.02163
   20    18 S   CT1  _CA2    20     1.46206   123.41915   178.87308
   21    20 S   HC   _HA2    21     1.09733   109.45119    -1.86886
   22    20 S   C    _C2_    22     1.53531   108.38778  -117.49175
   23    22 S   O    _O2_    23     1.23040   122.18858  -144.76191
   24    20 S   CT   _CB2    32     1.53384   111.57457   120.25066
   25    24 S   HC   HB21    33     1.09513   109.78424    56.31220
   26    24 S   HC   HB22    34     1.09391   109.73025   175.53042
   27    22 S   N    _N3_    24     1.38489   113.52265    42.48331
   28    27 S   H    _HN3    25     1.01498   118.95830    -0.59215
   29    24 S   S    _SG2    35     1.82370   111.69539   -65.12610
   30    27 S   CT   _CA3    26     1.45464   123.58096   175.36249
   31    30 S   HC   HA31    27     1.09514   109.43692    20.69122
   32    30 S   HC   HA32    28     1.09505   107.07666   137.70961
   33    29 S   CT   _C16    36     1.87260   100.63354   163.75993
   34    33 S   HC   _H3_    37     1.09274   103.25336   -47.68210
   35    30 S   CO3  _C3_    29     1.52908   112.95085  -102.93051
   36    35 S   O2Z  _O31    30     1.26415   115.32873   -46.50803
   37    35 S   O2Z  _O32    31     1.26345   115.03192   134.38358
   38    33 S   CT   _C11    38     1.56307   109.30478    69.03830
   39    38 S   HC   _H29    39     1.09501   110.65727   135.26376
   40    38 S   HC   _H30    40     1.09800   110.82479    20.36056
   41    33 S   CT   _C17    60     1.59170   112.55618  -161.45241
   42    41 S   OM   _O18    61     1.32652   109.65165   -67.04538
   43    38 S   CT   _C10    41     1.54833   115.40225  -102.54437
   44    43 S   HC   _H27    42     1.09771   109.01342  -175.94416
   45    43 S   HC   _H28    43     1.09453   109.35094    69.28274
   46    41 S   CT   _C20    62     1.54923   111.60134    51.61785
   47    46 S   HC   _H43    63     1.09736   113.30988   -68.31750
   48    46 S   HC   _H44    64     1.09853   111.59396   171.99423
   49    46 S   HC   _H45    65     1.09618   111.00092    52.35459
   50    43 S   CM   _C5_    44     1.51530   114.06407   -53.99064
   51    50 S   CM   _C4_    45     1.34689   119.41840   -57.54634
   52    51 S   HC   _H24    46     1.08947   117.97289    -7.70383
   53    50 S   CT   _C18    76     1.50356   115.21035   117.99555
   54    53 S   HC   _H37    77     1.09390   110.64714   -64.74841
   55    53 S   HC   _H38    78     1.09169   113.51340   173.78107
   56    53 S   HC   _H39    79     1.09554   109.80586    54.70112
   57    51 S   CT   _C13    47     1.50465   127.26146   163.92331
   58    57 S   HC   _H33    48     1.09445   112.36926    13.63840
   59    57 S   CT   _C14    49     1.55483   110.66917  -108.21090
   60    59 S   HC   _H34    50     1.09943   109.88448   -79.39571
   61    57 S   OS   _O22    69     1.44737   107.90363   134.10182
   62    59 S   CM   _C6_    51     1.49728   114.66182   160.17631
   63    61 S   CO4  _C9_    70     1.36341   117.25094   -86.11544
   64    63 S   O    _O20    71     1.22309   126.50200    -0.27554
   65    62 S   CO4  _C7_    52     1.47550   109.22346  -142.76970
   66    65 S   O    _O19    53     1.21783   126.94921  -170.65744
   67    62 S   CM   _C8_    66     1.33673   130.10853    36.13894
   68    67 S   HC   _H25    67     1.08383   121.51792     1.04023
   69    67 S   HC   _H26    68     1.08555   121.64382  -179.34658
   70    63 S   CT   _C19    72     1.49839   109.43558   179.88465
   71    70 S   HC   _H40    73     1.09291   109.83516   -60.64523
   72    70 S   HC   _H41    74     1.09378   109.36405  -179.67195
   73    70 S   HC   _H42    75     1.09291   109.81150    61.26801
   74    65 S   OS   _O21    54     1.35883   107.29523     8.38314
   75    59 S   CT   _C15    55     1.54050   114.44283    45.09886
   76    75 S   HC   _H35    56     1.09456   111.23645    31.71047
   77    75 S   CT   _C12    57     1.54803   112.88396   -94.92501
   78    77 S   HC   _H31    58     1.10262   107.23773   -84.24219
   79    77 S   HC   _H32    59     1.09491   109.94183    28.78903
  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
  18   8   2   1   1  12   6   5  13   8  10   4   3   7   3   2
   1  10  13   5   4   2   1   1  14   6  15   8   8   9   5   4
   8   3   4   1   1   3   2   1   1   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    43    77    41    42    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    50    75    77    78    79    41    42    46    47    48    49  
   38    39    40    43    77    41    42    46  
   36    37  
   37  
    0  
   39    40    43    44    45    50    51    77    41    42    46    53  
   40    43    44    45    50    41  
   43    44    45    50    41  
   42    46    47    48    49    43    59    74    75    76    77    78    79  
   46    47    48    49    75    77    78    79  
   44    45    50    51    52    57    53    54    55    56  
   45    50    51    53  
   50    51    53  
   47    48    49    75    77    78    79  
   48    49    77  
   49    77  
   77  
   51    52    57    58    59    61    53    54    55    56  
   52    57    58    59    60    62    75    61    63    53    54    55    56  
   57    58    59    61    53  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    60    62    65    74    75    76    77    67    61    63    64    70  
   59    60    62    75    61    63  
   60    62    65    66    74    75    76    77    78    79    67    68    69    61    63  
   62    65    74    75    76    77    67    61  
   63    64    70    71    72    73    62    75  
   65    66    74    75    76    77    67    68    69  
   64    70    71    72    73  
   70    71    72    73  
   66    74    75    76    77    67    68    69  
   74    75    67  
   68    69    74    75  
   69  
    0  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   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   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   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   340.000  1.090
   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    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   317.000  1.510
   50    51   549.000  1.340
   50    53   317.000  1.510
   51    52   340.000  1.080
   51    57   317.000  1.510
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    61   320.000  1.410
   59    60   340.000  1.090
   59    62   317.000  1.510
   59    75   268.000  1.529
   62    65   320.000  1.462
   62    67   549.000  1.340
   65    66   570.000  1.229
   65    74   214.000  1.327
   74    75   320.000  1.410
   75    76   340.000  1.090
   75    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    41   268.000  1.529
   41    42   570.000  1.307
   41    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   67    68   340.000  1.080
   67    69   340.000  1.080
   61    63   214.000  1.327
   63    64   570.000  1.229
   63    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   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    35.00000  109.50000
   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    43    58.35000  112.70000
   33    41    77    58.35000  112.70000
   33    41    42    50.00000  109.50000
   33    41    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    50    70.00000  112.02700
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    50    51    70.00000  124.00000
   43    50    53    65.00000  117.92700
   45    43    44    33.00000  107.80000
   50    43    44    35.00000  109.50000
   50    43    45    35.00000  109.50000
   50    51    52    35.00000  120.00000
   50    51    57    70.00000  124.00000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   51    57    58    35.00000  109.50000
   51    57    59    70.00000  112.02700
   51    57    61    85.00000  110.90400
   57    51    52    35.00000  117.00000
   57    59    60    37.50000  110.70000
   57    59    62    70.00000  112.02700
   57    59    75    58.35000  112.70000
   57    61    63    83.00000  116.90000
   59    57    58    37.50000  110.70000
   59    62    65    65.00000  116.34900
   59    62    67    70.00000  124.00000
   59    75    74    50.00000  109.50000
   59    75    76    37.50000  110.70000
   59    75    77    58.35000  112.70000
   62    59    60    35.00000  109.50000
   62    65    66    80.00000  123.72100
   62    65    74    90.00000  111.29400
   62    67    68    35.00000  120.00000
   62    67    69    35.00000  120.00000
   65    74    75    83.00000  116.90000
   74    65    66    83.00000  123.40000
   74    75    76    35.00000  109.50000
   74    75    77    50.00000  109.50000
   75    59    60    37.50000  110.70000
   75    59    62    70.00000  112.02700
   75    77    78    37.50000  110.70000
   75    77    79    37.50000  110.70000
   75    77    41    58.35000  112.70000
   77    75    76    37.50000  110.70000
   77    41    42    50.00000  109.50000
   77    41    46    58.35000  112.70000
   79    77    78    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    77    78    37.50000  110.70000
   41    77    79    37.50000  110.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    49    37.50000  110.70000
   46    41    42    50.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   67    62    65    65.00000  118.96000
   69    67    68    35.00000  117.00000
   61    57    58    35.00000  109.50000
   61    57    59    50.00000  109.50000
   61    63    64    83.00000  123.40000
   61    63    70    81.00000  111.40000
   63    70    71    35.00000  109.50000
   63    70    72    35.00000  109.50000
   63    70    73    35.00000  109.50000
   70    63    64    80.00000  120.40000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   53    50    51    70.00000  124.00000
   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   0.32350  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    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    77   0.44750  1.0 1.0
   29    33    41    77  -0.17800 -1.0 2.0
   29    33    41    77   0.20200  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    50   0.34400  1.0 1.0
   33    38    43    50   0.09450 -1.0 2.0
   33    38    43    50   0.11100  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    48   0.15000  1.0 3.0
   33    41    46    49   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    77   0.15000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   38    33    41    77   0.56750  1.0 1.0
   38    33    41    77  -0.07550 -1.0 2.0
   38    33    41    77   0.20000  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    46   0.56750  1.0 1.0
   38    33    41    46  -0.07550 -1.0 2.0
   38    33    41    46   0.20000  1.0 3.0
   38    43    50    51   0.09850  1.0 1.0
   38    43    50    51   0.15250 -1.0 2.0
   38    43    50    51  -0.50650  1.0 3.0
   38    43    50    53   0.46850  1.0 1.0
   38    43    50    53   0.08550 -1.0 2.0
   38    43    50    53   0.09800  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    50   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    45   0.15000  1.0 3.0
   40    38    43    50   0.15000  1.0 3.0
   43    50    51    52   7.00000 -1.0 2.0
   43    50    51    57   7.00000 -1.0 2.0
   43    50    53    54   0.34800  1.0 3.0
   43    50    53    55   0.34800  1.0 3.0
   43    50    53    56   0.34800  1.0 3.0
   44    43    50    51   0.00000  1.0 1.0
   44    43    50    53   0.34800  1.0 3.0
   45    43    50    51   0.00000  1.0 1.0
   45    43    50    53   0.34800  1.0 3.0
   50    51    57    58   0.00000  1.0 1.0
   50    51    57    59   0.09850  1.0 1.0
   50    51    57    59   0.15250 -1.0 2.0
   50    51    57    59  -0.50650  1.0 3.0
   50    51    57    61   0.39000  1.0 1.0
   50    51    57    61  -0.05800 -1.0 2.0
   50    51    57    61  -0.55150  1.0 3.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    55   0.00000  1.0 1.0
   51    50    53    56   0.00000  1.0 1.0
   51    57    59    60   0.15000  1.0 3.0
   51    57    59    62   0.31000  1.0 1.0
   51    57    59    62   0.14700 -1.0 2.0
   51    57    59    62   0.07550  1.0 3.0
   51    57    59    75   0.34400  1.0 1.0
   51    57    59    75   0.09450 -1.0 2.0
   51    57    59    75   0.11100  1.0 3.0
   51    57    61    63  -0.82050  1.0 1.0
   51    57    61    63   0.00600 -1.0 2.0
   51    57    61    63   0.04400  1.0 3.0
   52    51    57    58   0.33100  1.0 3.0
   52    51    57    59   0.00000  1.0 1.0
   52    51    57    61   0.00000  1.0 1.0
   57    59    62    65   0.09700  1.0 1.0
   57    59    62    65   0.15600 -1.0 2.0
   57    59    62    65  -0.50800  1.0 3.0
   57    59    62    67   0.09850  1.0 1.0
   57    59    62    67   0.15250 -1.0 2.0
   57    59    62    67  -0.50650  1.0 3.0
   57    59    75    74   0.62750  1.0 1.0
   57    59    75    74  -0.30950 -1.0 2.0
   57    59    75    74   0.27300  1.0 3.0
   57    59    75    76   0.15000  1.0 3.0
   57    59    75    77   0.56750  1.0 1.0
   57    59    75    77  -0.07550 -1.0 2.0
   57    59    75    77   0.20000  1.0 3.0
   57    61    63    64   3.00000 -1.0 2.0
   57    61    63    70   1.63150  1.0 1.0
   57    61    63    70   2.92000 -1.0 2.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    62   0.15000  1.0 3.0
   58    57    59    75   0.15000  1.0 3.0
   58    57    61    63   0.08050  1.0 3.0
   59    57    61    63  -0.25900  1.0 1.0
   59    57    61    63  -0.47000 -1.0 2.0
   59    57    61    63   0.11750  1.0 3.0
   59    62    65    66  -0.64400  1.0 1.0
   59    62    65    66   0.26850 -1.0 2.0
   59    62   -65    74  -0.15000  1.0 1.0
   59    62   -65    74   0.89550 -1.0 2.0
   59    62   -65    74  -0.06900  1.0 3.0
   59    62    67    68   7.00000 -1.0 2.0
   59    62    67    69   7.00000 -1.0 2.0
   59    75    77    78   0.15000  1.0 3.0
   59    75    77    79   0.15000  1.0 3.0
   59    75    77    41   0.56750  1.0 1.0
   59    75    77    41  -0.07550 -1.0 2.0
   59    75    77    41   0.20000  1.0 3.0
   60    59    62    65   0.15000  1.0 3.0
   60    59    62    67   0.00000  1.0 1.0
   60    59    75    74   0.23400  1.0 3.0
   60    59    75    76   0.15000  1.0 3.0
   60    59    75    77   0.15000  1.0 3.0
   62    59   -75    74   0.61850  1.0 1.0
   62    59   -75    74  -0.22750 -1.0 2.0
   62    59   -75    74   0.15300  1.0 3.0
   62    59    75    76   0.15000  1.0 3.0
   62    59    75    77   0.34400  1.0 1.0
   62    59    75    77   0.09450 -1.0 2.0
   62    59    75    77   0.11100  1.0 3.0
   62    65   -74    75   2.00000 -1.0 2.0
   65    62    67    68   7.00000 -1.0 2.0
   65    62    67    69   7.00000 -1.0 2.0
   65    74   -75    59  -0.25900  1.0 1.0
   65    74   -75    59  -0.47000 -1.0 2.0
   65    74   -75    59   0.11750  1.0 3.0
   65    74    75    76   0.08050  1.0 3.0
   65    74    75    77  -0.25900  1.0 1.0
   65    74    75    77  -0.47000 -1.0 2.0
   65    74    75    77   0.11750  1.0 3.0
   66    65    74    75   3.00000 -1.0 2.0
   74    75    77    78   0.23400  1.0 3.0
   74    75    77    79   0.23400  1.0 3.0
   74    75    77    41   0.62750  1.0 1.0
   74    75    77    41  -0.30950 -1.0 2.0
   74    75    77    41   0.27300  1.0 3.0
   75    59   -62    65   0.09700  1.0 1.0
   75    59   -62    65   0.15600 -1.0 2.0
   75    59   -62    65  -0.50800  1.0 3.0
   75    59    62    67   0.09850  1.0 1.0
   75    59    62    67   0.15250 -1.0 2.0
   75    59    62    67  -0.50650  1.0 3.0
   75    77    41    33   0.56750  1.0 1.0
   75    77    41    33  -0.07550 -1.0 2.0
   75    77    41    33   0.20000  1.0 3.0
   75    77    41    42   0.62750  1.0 1.0
   75    77    41    42  -0.30950 -1.0 2.0
   75    77    41    42   0.27300  1.0 3.0
   75    77    41    46   0.56750  1.0 1.0
   75    77    41    46  -0.07550 -1.0 2.0
   75    77    41    46   0.20000  1.0 3.0
   76    75    77    78   0.15000  1.0 3.0
   76    75    77    79   0.15000  1.0 3.0
   76    75    77    41   0.15000  1.0 3.0
   77    41    46    47   0.15000  1.0 3.0
   77    41    46    48   0.15000  1.0 3.0
   77    41    46    49   0.15000  1.0 3.0
   78    77    41    33   0.15000  1.0 3.0
   78    77    41    42   0.23400  1.0 3.0
   78    77    41    46   0.15000  1.0 3.0
   79    77    41    33   0.15000  1.0 3.0
   79    77    41    42   0.23400  1.0 3.0
   79    77    41    46   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    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   42    41    46    47   0.23400  1.0 3.0
   42    41    46    48   0.23400  1.0 3.0
   42    41    46    49   0.23400  1.0 3.0
   67    62    65    66   1.00000 -1.0 2.0
   67    62    65    74  -0.56150  1.0 1.0
   67    62    65    74   2.19150 -1.0 2.0
   61    57    59    60   0.23400  1.0 3.0
   61    57    59    62   0.61850  1.0 1.0
   61    57    59    62  -0.22750 -1.0 2.0
   61    57    59    62   0.15300  1.0 3.0
   61    57    59    75   0.62750  1.0 1.0
   61    57    59    75  -0.30950 -1.0 2.0
   61    57    59    75   0.27300  1.0 3.0
   61    63    70    71   0.00000  1.0 1.0
   61    63    70    72   0.00000  1.0 1.0
   61    63    70    73   0.00000  1.0 1.0
   64    63    70    71   0.00000  1.0 1.0
   64    63    70    72   0.00000  1.0 1.0
   64    63    70    73   0.00000  1.0 1.0
   53    50    51    52   7.00000 -1.0 2.0
   53    50    51    57   7.00000 -1.0 2.0
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
   37    30    35    36  10.50000 -1.0 2.0
   43    53    50    51   1.10000 -1.0 2.0
   57    52    51    50   1.10000 -1.0 2.0
   59    65    62    67   1.10000 -1.0 2.0
   62    74    65    66  10.50000 -1.0 2.0
   68    69    67    62   1.10000 -1.0 2.0
   61    70    63    64  10.50000 -1.0 2.0
END
