* LIGAND DATABASE FILE (OPLS2005)
*
001      86    86    155    231     454
    1     0 S   NP   _N1_     1    28.74250    96.58375   -23.69560
    2     1 S   H    _HN1     2     1.02829    37.62879   167.02560
    3     1 S   H    _H1_     3     1.02787   106.09199   -94.38880
    4     1 S   H    _H2_     4     1.02951    72.29448    10.20546
    5     1 S   CT   _CA1     5     1.50105   137.69616   111.33796
    6     5 S   HC   _HA1     6     1.09574   105.20857    91.87647
    7     5 S   CO3  _C1_     7     1.53793   112.44489   -28.39161
    8     7 S   O2Z  _O11     8     1.26373   115.00940   -43.25685
    9     7 S   O2Z  _O12     9     1.26241   114.94565   135.91054
   10     5 S   CT   _CB1    10     1.53082   107.42741  -150.13259
   11    10 S   HC   HB11    11     1.09833   109.39746   -49.77544
   12    10 S   HC   HB12    12     1.09814   110.44456    66.83854
   13    10 S   CT   _CG1    13     1.52987   112.58540  -170.74902
   14    13 S   HC   HG11    14     1.09584   110.62517   -65.07525
   15    13 S   HC   HG12    15     1.09670   109.79666    54.15209
   16    13 S   C    _CD1    16     1.51796   112.23918   174.62714
   17    16 S   O    _OE1    17     1.22732   123.29822     6.34329
   18    16 S   N    _N2_    18     1.38658   111.65960  -173.79306
   19    18 S   H    _HN2    19     1.01582   118.94358     1.85055
   20    18 S   CT1  _CA2    20     1.46191   123.38100   177.72050
   21    20 S   HC   _HA2    21     1.09739   109.35702     2.31596
   22    20 S   C    _C2_    22     1.53555   108.63198  -113.14640
   23    22 S   O    _O2_    23     1.23058   122.27308  -148.12672
   24    20 S   CT   _CB2    32     1.53454   111.65059   124.29208
   25    24 S   HC   HB21    33     1.09520   109.66841    56.10141
   26    24 S   HC   HB22    34     1.09403   109.78587   174.98405
   27    22 S   N    _N3_    24     1.38322   113.70735    39.33718
   28    27 S   H    _HN3    25     1.01586   119.59456    -3.38397
   29    24 S   S    _SG2    35     1.83224   111.20421   -64.34747
   30    27 S   CT   _CA3    26     1.45287   123.21170   177.11683
   31    30 S   HC   HA31    27     1.09549   107.51910   -64.34179
   32    30 S   HC   HA32    28     1.09557   107.97737    52.09620
   33    29 S   CT   _C23    36     1.88040   101.91860  -168.84198
   34    30 S   CO3  _C3_    29     1.52961   114.07656   174.08099
   35    34 S   O2Z  _O31    30     1.26377   116.06406    -0.80454
   36    34 S   O2Z  _O32    31     1.26429   114.41476   179.25638
   37    33 S   CM   _C10    37     1.52489   108.02713    68.47607
   38    37 S   HC   _H28    38     1.09193   115.53454     7.73573
   39    33 S   CT   _C21    77     1.54052   107.47997   -53.99658
   40    39 S   HC   _H47    78     1.09686   111.68767   -47.16387
   41    39 S   HC   _H48    79     1.09423   112.00146  -165.73140
   42    39 S   HC   _H49    80     1.09570   112.17378    74.55489
   43    33 S   CT   _C22    81     1.54809   106.68890  -170.91764
   44    43 S   HC   _H50    82     1.09653   110.51849   169.87976
   45    43 S   HC   _H51    83     1.09757   111.18202    52.59794
   46    37 S   CM   _C8_    39     1.34544   130.91360  -172.63100
   47    46 S   HC   _H26    40     1.08702   115.40254   179.48338
   48    43 S   CO4  _C11    84     1.51311   114.53964   -69.38536
   49    48 S   O    _O21    85     1.22768   123.13437  -118.83364
   50    48 S   HC   _H29    86     1.10251   116.37658    62.81061
   51    46 S   CM   _C9_    41     1.44683   128.10992    -2.66205
   52    51 S   HC   _H27    42     1.08571   115.00057    -8.26555
   53    51 S   CM   _C12    43     1.35113   127.48629   173.54087
   54    53 S   CM   _C7_    44     1.46639   118.16166   178.40775
   55    54 S   HC   _H25    45     1.09025   115.68894     1.45455
   56    53 S   CT   _C18    73     1.50856   124.73387    -2.08027
   57    56 S   HC   _H38    74     1.09602   110.50755  -122.63878
   58    56 S   HC   _H39    75     1.09566   110.45083   117.01623
   59    56 S   HC   _H40    76     1.09184   113.86474    -3.33495
   60    54 S   CM   _C6_    46     1.34450   126.73903  -178.61718
   61    60 S   HC   _H24    47     1.08590   121.26399    -1.68516
   62    60 S   CM   _C4_    48     1.46201   123.68540  -178.57454
   63    62 S   CM   _C5_    49     1.35642   122.23269   -66.79993
   64    63 S   CT   _C13    50     1.51341   122.46840   179.84677
   65    64 S   HC   _H30    51     1.09781   110.00577   135.22002
   66    64 S   HC   _H31    52     1.09838   108.47489  -109.74960
   67    63 S   CT   _C17    69     1.51105   124.98324    -0.85318
   68    67 S   HC   _H35    70     1.09494   109.95000   112.81326
   69    67 S   HC   _H36    71     1.09237   113.94436    -8.62714
   70    67 S   HC   _H37    72     1.09564   110.10874  -127.93640
   71    64 S   CT   _C15    53     1.52544   114.80811    13.50701
   72    71 S   HC   _H34    54     1.09553   110.45394    80.20878
   73    71 S   CT   _C14    55     1.52089   110.38336   -42.14011
   74    73 S   HC   _H32    56     1.09840   109.55734  -176.75731
   75    73 S   HC   _H33    57     1.10005   108.65122   -62.68911
   76    71 S   OH   _O22    67     1.42516   109.59343  -161.69277
   77    76 S   HO   _H52    68     0.97253   107.49352   -59.07778
   78    62 S   CT   _C16    58     1.54352   115.14196   113.61991
   79    78 S   CT   _C19    59     1.54516   109.38715    75.55795
   80    79 S   HC   _H41    60     1.09616   111.07114   174.16918
   81    79 S   HC   _H42    61     1.09546   111.92712    53.76090
   82    79 S   HC   _H43    62     1.09604   111.62195   -66.44107
   83    78 S   CT   _C20    63     1.54754   112.27266   -44.61666
   84    83 S   HC   _H44    64     1.09655   110.92527  -174.90345
   85    83 S   HC   _H45    65     1.09587   112.12286    65.73054
   86    83 S   HC   _H46    66     1.09634   111.26952   -55.14589
  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  12   5   4   3
  15   2   1   1  14   5   8   3   2   1   6   4   3   6   3   2
   1   1   9   3   9  10   4   4   2   1   1   9   3  21  14  14
   6   5   5   2   1   1   9   6  13   5   4   2   1   8   7   3
   2   1   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    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    39    40    41    42    43    44    45    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    51    39    40    41    42    43    44    45    48    49    50  
   35    36  
   36  
    0  
   38    46    47    51    52    53    39    40    41    42    43    44    45    48  
   46    47    51    39    43  
   40    41    42    43    44    45    48    46  
   41    42    43  
   42    43  
   43  
   44    45    48    49    50    46  
   45    48    49    50  
   48    49    50  
   47    51    52    53    54    56  
   51    52    53  
   49    50  
   50  
    0  
   52    53    54    55    60    56    57    58    59  
   53    54    56  
   54    55    60    61    62    56    57    58    59  
   55    60    61    62    63    78    56    57    58    59  
   60    61    62    56  
   57    58    59    60  
   58    59  
   59  
    0  
   61    62    63    64    73    78    79    83    67  
   62    63    78  
   63    64    65    66    71    73    74    75    78    79    80    81    82    83    84    85    86    67    68    69    70  
   64    65    66    71    72    73    78    79    83    76    67    68    69    70  
   65    66    71    72    73    74    75    78    76    77    67    68    69    70  
   66    71    72    73    76    67  
   71    72    73    76    67  
   68    69    70    71    78  
   69    70  
   70  
    0  
   72    73    74    75    78    79    83    76    77  
   73    74    75    78    76    77  
   74    75    78    79    80    81    82    83    84    85    86    76    77  
   75    78    79    83    76  
   78    79    83    76  
   77    78  
    0  
   79    80    81    82    83    84    85    86  
   80    81    82    83    84    85    86  
   81    82    83  
   82    83  
   83  
   84    85    86  
   85    86  
   86  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   50   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   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    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   317.000  1.510
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    46   549.000  1.340
   46    47   340.000  1.080
   46    51   380.000  1.444
   51    52   340.000  1.080
   51    53   549.000  1.340
   53    54   380.000  1.444
   53    56   317.000  1.510
   54    55   340.000  1.080
   54    60   549.000  1.340
   60    61   340.000  1.080
   60    62   380.000  1.444
   62    63   549.000  1.340
   62    78   317.000  1.510
   63    64   317.000  1.510
   63    67   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    71   268.000  1.529
   71    72   340.000  1.090
   71    73   268.000  1.529
   71    76   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    78   268.000  1.529
   78    79   268.000  1.529
   78    83   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   76    77   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.522
   48    49   570.000  1.229
   48    50   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  112.20000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    46    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    48    63.00000  111.10000
   37    46    47    35.00000  120.00000
   37    46    51    70.00000  123.01800
   46    37    38    35.00000  120.00000
   46    51    52    35.00000  120.00000
   46    51    53    70.00000  123.01800
   51    46    47    35.00000  120.00000
   51    53    54    70.00000  123.01800
   51    53    56    70.00000  124.00000
   53    51    52    35.00000  120.00000
   53    54    55    35.00000  120.00000
   53    54    60    70.00000  123.01800
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    59    35.00000  109.50000
   54    60    61    35.00000  120.00000
   54    60    62    70.00000  123.01800
   60    54    55    35.00000  120.00000
   60    62    63    70.00000  123.01800
   60    62    78    70.00000  124.00000
   62    60    61    35.00000  120.00000
   62    63    64    70.00000  124.00000
   62    63    67    70.00000  124.00000
   62    78    73    70.00000  112.02700
   62    78    79    70.00000  112.02700
   62    78    83    70.00000  112.02700
   63    64    65    35.00000  109.50000
   63    64    66    35.00000  109.50000
   63    64    71    70.00000  112.02700
   63    67    68    35.00000  109.50000
   63    67    69    35.00000  109.50000
   63    67    70    35.00000  109.50000
   64    71    72    37.50000  110.70000
   64    71    73    58.35000  112.70000
   64    71    76    50.00000  109.50000
   66    64    65    33.00000  107.80000
   71    64    65    37.50000  110.70000
   71    64    66    37.50000  110.70000
   71    73    74    37.50000  110.70000
   71    73    75    37.50000  110.70000
   71    73    78    58.35000  112.70000
   71    76    77    55.00000  108.50000
   73    71    72    37.50000  110.70000
   73    78    79    58.35000  112.70000
   73    78    83    58.35000  112.70000
   75    73    74    33.00000  107.80000
   78    62    63    70.00000  124.00000
   78    73    74    37.50000  110.70000
   78    73    75    37.50000  110.70000
   78    79    80    37.50000  110.70000
   78    79    81    37.50000  110.70000
   78    79    82    37.50000  110.70000
   78    83    84    37.50000  110.70000
   78    83    85    37.50000  110.70000
   78    83    86    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    78    79    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   76    71    72    35.00000  109.50000
   76    71    73    50.00000  109.50000
   67    63    64    65.00000  117.92700
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   56    53    54    70.00000  124.00000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   43    48    49    80.00000  120.40000
   43    48    50    35.00000  115.00000
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   50    48    49    35.00000  123.00000
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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   0.00000  1.0 1.0
   29    33    37    46   0.42700  1.0 1.0
   29    33    37    46  -0.70350 -1.0 2.0
   29    33    37    46  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    48   0.56750  1.0 1.0
   29    33    43    48  -0.07550 -1.0 2.0
   29    33    43    48   0.20000  1.0 3.0
   33    37    46    47   7.00000 -1.0 2.0
   33    37    46    51   7.00000 -1.0 2.0
   33    43    48    49   0.30150 -1.0 2.0
   33    43    48    50   0.74550  1.0 1.0
   33    43    48    50  -0.00500 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    48  -0.98800  1.0 1.0
   37    33    43    48   0.48800 -1.0 2.0
   37    33    43    48   0.76800  1.0 3.0
   37    46    51    52  -0.18600  1.0 3.0
   37    46    51    53   0.28850  1.0 1.0
   37    46    51    53   2.61350 -1.0 2.0
   37    46    51    53   0.78400  1.0 3.0
   38    37    46    47   7.00000 -1.0 2.0
   38    37    46    51   7.00000 -1.0 2.0
   46    51    53    54   7.00000 -1.0 2.0
   46    51    53    56   7.00000 -1.0 2.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    53  -0.18600  1.0 3.0
   51    53    54    55  -0.18600  1.0 3.0
   51    53    54    60   0.28850  1.0 1.0
   51    53    54    60   2.61350 -1.0 2.0
   51    53    54    60   0.78400  1.0 3.0
   51    53    56    57   0.00000  1.0 1.0
   51    53    56    58   0.00000  1.0 1.0
   51    53    56    59   0.00000  1.0 1.0
   52    51    53    54   7.00000 -1.0 2.0
   52    51    53    56   7.00000 -1.0 2.0
   53    54    60    61   7.00000 -1.0 2.0
   53    54    60    62   7.00000 -1.0 2.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    58   0.00000  1.0 1.0
   54    53    56    59   0.00000  1.0 1.0
   54    60    62    63   0.28850  1.0 1.0
   54    60    62    63   2.61350 -1.0 2.0
   54    60    62    63   0.78400  1.0 3.0
   54    60    62    78  -0.18600  1.0 3.0
   55    54    60    61   7.00000 -1.0 2.0
   55    54    60    62   7.00000 -1.0 2.0
   60    62    63    64   7.00000 -1.0 2.0
   60    62    63    67   7.00000 -1.0 2.0
   60    62    78    73   0.98200  1.0 1.0
   60    62    78    73  -0.11900 -1.0 2.0
   60    62    78    73   0.24250  1.0 3.0
   60    62    78    79   0.98200  1.0 1.0
   60    62    78    79  -0.11900 -1.0 2.0
   60    62    78    79   0.24250  1.0 3.0
   60    62    78    83   0.98200  1.0 1.0
   60    62    78    83  -0.11900 -1.0 2.0
   60    62    78    83   0.24250  1.0 3.0
   61    60    62    63  -0.18600  1.0 3.0
   61    60    62    78   0.00000  1.0 1.0
   62    63    64    65   0.00000  1.0 1.0
   62    63    64    66   0.00000  1.0 1.0
   62    63    64    71   0.09850  1.0 1.0
   62    63    64    71   0.15250 -1.0 2.0
   62    63    64    71  -0.50650  1.0 3.0
   62    63    67    68   0.00000  1.0 1.0
   62    63    67    69   0.00000  1.0 1.0
   62    63    67    70   0.00000  1.0 1.0
   62    78    79    80   0.15000  1.0 3.0
   62    78    79    81   0.15000  1.0 3.0
   62    78    79    82   0.15000  1.0 3.0
   62    78    83    84   0.15000  1.0 3.0
   62    78    83    85   0.15000  1.0 3.0
   62    78    83    86   0.15000  1.0 3.0
   63    62    78    73   0.09850  1.0 1.0
   63    62    78    73   0.15250 -1.0 2.0
   63    62    78    73  -0.50650  1.0 3.0
   63    62    78    79   0.09850  1.0 1.0
   63    62    78    79   0.15250 -1.0 2.0
   63    62    78    79  -0.50650  1.0 3.0
   63    62    78    83   0.09850  1.0 1.0
   63    62    78    83   0.15250 -1.0 2.0
   63    62    78    83  -0.50650  1.0 3.0
   63    64    71    72   0.15000  1.0 3.0
   63    64   -71    73   0.34400  1.0 1.0
   63    64   -71    73   0.09450 -1.0 2.0
   63    64   -71    73   0.11100  1.0 3.0
   63    64    71    76   1.05650  1.0 1.0
   63    64    71    76   0.15600 -1.0 2.0
   63    64    71    76   0.53150  1.0 3.0
   64    63    67    68   0.34800  1.0 3.0
   64    63    67    69   0.34800  1.0 3.0
   64    63    67    70   0.34800  1.0 3.0
   64    71    73    74   0.15000  1.0 3.0
   64    71    73    75   0.15000  1.0 3.0
   64    71    73    78   0.56750  1.0 1.0
   64    71    73    78  -0.07550 -1.0 2.0
   64    71    73    78   0.20000  1.0 3.0
   64    71    76    77  -0.11600  1.0 1.0
   64    71    76    77  -0.09450 -1.0 2.0
   64    71    76    77   0.21250  1.0 3.0
   65    64    71    72   0.15000  1.0 3.0
   65    64    71    73   0.15000  1.0 3.0
   65    64    71    76   0.23400  1.0 3.0
   66    64    71    72   0.15000  1.0 3.0
   66    64    71    73   0.15000  1.0 3.0
   66    64    71    76   0.23400  1.0 3.0
   71    73   -78    62   0.34400  1.0 1.0
   71    73   -78    62   0.09450 -1.0 2.0
   71    73   -78    62   0.11100  1.0 3.0
   71    73    78    79   0.56750  1.0 1.0
   71    73    78    79  -0.07550 -1.0 2.0
   71    73    78    79   0.20000  1.0 3.0
   71    73    78    83   0.56750  1.0 1.0
   71    73    78    83  -0.07550 -1.0 2.0
   71    73    78    83   0.20000  1.0 3.0
   72    71    73    74   0.15000  1.0 3.0
   72    71    73    75   0.15000  1.0 3.0
   72    71    73    78   0.15000  1.0 3.0
   72    71    76    77   0.19450  1.0 3.0
   73    71    76    77  -0.11600  1.0 1.0
   73    71    76    77  -0.09450 -1.0 2.0
   73    71    76    77   0.21250  1.0 3.0
   73    78    79    80   0.15000  1.0 3.0
   73    78    79    81   0.15000  1.0 3.0
   73    78    79    82   0.15000  1.0 3.0
   73    78    83    84   0.15000  1.0 3.0
   73    78    83    85   0.15000  1.0 3.0
   73    78    83    86   0.15000  1.0 3.0
   74    73    78    62   0.15000  1.0 3.0
   74    73    78    79   0.15000  1.0 3.0
   74    73    78    83   0.15000  1.0 3.0
   75    73    78    62   0.15000  1.0 3.0
   75    73    78    79   0.15000  1.0 3.0
   75    73    78    83   0.15000  1.0 3.0
   78    62   -63    64   7.00000 -1.0 2.0
   78    62    63    67   7.00000 -1.0 2.0
   79    78    83    84   0.15000  1.0 3.0
   79    78    83    85   0.15000  1.0 3.0
   79    78    83    86   0.15000  1.0 3.0
   83    78    79    80   0.15000  1.0 3.0
   83    78    79    81   0.15000  1.0 3.0
   83    78    79    82   0.15000  1.0 3.0
   76    71    73    74   0.23400  1.0 3.0
   76    71    73    75   0.23400  1.0 3.0
   76    71    73    78   0.86500  1.0 1.0
   76    71    73    78  -0.17500 -1.0 2.0
   76    71    73    78   0.20800  1.0 3.0
   67    63    64    65   0.34800  1.0 3.0
   67    63    64    66   0.34800  1.0 3.0
   67    63    64    71   0.46850  1.0 1.0
   67    63    64    71   0.08550 -1.0 2.0
   67    63    64    71   0.09800  1.0 3.0
   56    53    54    55   0.00000  1.0 1.0
   56    53    54    60  -0.18600  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    46   0.09850  1.0 1.0
   39    33    37    46   0.15250 -1.0 2.0
   39    33    37    46  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    48  -0.95700  1.0 1.0
   39    33    43    48  -0.18200 -1.0 2.0
   39    33    43    48   0.29450  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    46   0.09850  1.0 1.0
   43    33    37    46   0.15250 -1.0 2.0
   43    33    37    46  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50   0.00000  1.0 1.0
   45    43    48    49   0.00000  1.0 1.0
   45    43    48    50   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
   33    38    37    46  15.00000 -1.0 2.0
   51    47    46    37  15.00000 -1.0 2.0
   46    52    51    53  15.00000 -1.0 2.0
   54    56    53    51  15.00000 -1.0 2.0
   53    55    54    60  15.00000 -1.0 2.0
   62    61    60    54  15.00000 -1.0 2.0
   60    78    62    63   1.10000 -1.0 2.0
   64    67    63    62   1.10000 -1.0 2.0
   43    50    48    49  10.50000 -1.0 2.0
END
