* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    141    226     423
    1     0 S   NP   _N1_     1    28.70819    94.06570   -25.23647
    2     1 S   H    _HN1     2     1.02779   118.06925   -78.55740
    3     1 S   H    _H1_     3     1.02957    78.08083    26.07456
    4     1 S   H    _H2_     4     1.02826    28.96180  -154.46663
    5     1 S   CT   _CA1     5     1.50147   122.82556   132.74987
    6     5 S   HC   _HA1     6     1.09578   105.16065    88.85500
    7     5 S   CO3  _C1_     7     1.53774   112.48724   -31.22475
    8     7 S   O2Z  _O11     8     1.26365   114.99638   -40.58832
    9     7 S   O2Z  _O12     9     1.26245   114.94489   138.43085
   10     5 S   CT   _CB1    10     1.53073   107.37662  -153.25717
   11    10 S   HC   HB11    11     1.09831   109.21491   -50.21097
   12    10 S   HC   HB12    12     1.09819   110.47386    66.32614
   13    10 S   CT   _CG1    13     1.53003   112.72305  -171.28562
   14    13 S   HC   HG11    14     1.09584   110.52853   -67.10425
   15    13 S   HC   HG12    15     1.09667   109.90677    52.18384
   16    13 S   C    _CD1    16     1.51766   112.22163   172.42241
   17    16 S   O    _OE1    17     1.22791   123.29149     3.14018
   18    16 S   N    _N2_    18     1.38598   111.81074  -176.74009
   19    18 S   H    _HN2    19     1.01587   119.05221     1.05851
   20    18 S   CT1  _CA2    20     1.46117   123.21484   177.29484
   21    20 S   HC   _HA2    21     1.09755   109.25896     2.70088
   22    20 S   C    _C2_    22     1.53560   108.70952  -112.63488
   23    22 S   O    _O2_    23     1.23055   122.30048  -148.34258
   24    20 S   CT   _CB2    32     1.53316   111.91964   124.50556
   25    24 S   HC   HB21    33     1.09531   110.31129    57.61426
   26    24 S   HC   HB22    34     1.09502   109.60331   176.44125
   27    22 S   N    _N3_    24     1.38335   113.70679    39.23001
   28    27 S   H    _HN3    25     1.01579   119.59014    -3.67829
   29    24 S   S    _SG2    35     1.82802   111.55508   -63.19984
   30    27 S   CT   _CA3    26     1.45285   123.21555   176.98189
   31    30 S   HC   HA31    27     1.09550   107.55550   -63.32389
   32    30 S   HC   HA32    28     1.09555   107.93674    53.11272
   33    29 S   CT   _C19    36     1.84861    99.84250  -157.11235
   34    33 S   HC   _H6_    37     1.09698   105.58946    49.56031
   35    30 S   CO3  _C3_    29     1.52958   114.06231   175.06108
   36    35 S   O2Z  _O31    30     1.26377   116.04935    -0.92302
   37    35 S   O2Z  _O32    31     1.26422   114.41819   179.12240
   38    33 S   CM   _C15    38     1.52651   107.80280   166.17312
   39    38 S   CT   _C16    39     1.51263   114.06205    79.86300
   40    39 S   HC   _H15    40     1.09316   112.52985   172.69019
   41    39 S   HC   _H16    41     1.09824   108.52843   -71.08197
   42    38 S   CM   _C14    54     1.34627   119.55683  -101.30619
   43    42 S   HC   _H14    55     1.08537   118.80514     2.09798
   44    39 S   CT1  _C17    42     1.53003   110.98875    50.52955
   45    44 S   HC   _H4_    43     1.09833   109.55722    65.42963
   46    42 S   CG   _C13    56     1.47349   124.17038  -177.28358
   47    46 S   HC   _H13    57     1.09858   118.58431    17.41019
   48    44 S   NT   _N5_    44     1.47266   110.82892   -56.56713
   49    48 S   H    _H17    45     1.02274   109.20863  -179.86583
   50    44 S   CO3  _C21    51     1.54811   113.52657  -175.56933
   51    50 S   O2Z  _O38    52     1.26338   116.51868     4.20598
   52    50 S   O2Z  _O37    53     1.26701   114.67604  -174.42617
   53    46 S   NIP  _N4_    58     1.28673   125.58050  -162.81225
   54    53 S   H    _H12    59     1.02731   116.53533  -179.03166
   55    33 S   CT1  _C18    46     1.54275   112.76736   -69.46505
   56    55 S   HC   _H5_    47     1.09706   109.10941    43.11264
   57    53 S   CT1  _C11    60     1.49393   130.16613     3.45774
   58    57 S   HC   _H3_    61     1.09352   109.27747   -18.88195
   59    55 S   CO3  _C20    48     1.55379   114.94023   159.53049
   60    59 S   O2Z  _O36    49     1.26676   114.62946  -172.33348
   61    59 S   O2Z  _O35    50     1.26294   116.48302     6.52137
   62    57 S   CO3  _C12    62     1.53558   106.77186  -137.98269
   63    62 S   O2Z  _O34    63     1.26420   115.73342   -56.75416
   64    62 S   O2Z  _O33    64     1.26322   114.64710   122.75868
   65    57 S   CT   _C10    65     1.53265   109.42635   103.81368
   66    65 S   HC   _H10    66     1.09903   111.03282    55.02388
   67    65 S   HC   _H11    67     1.09878   109.57520   170.63586
   68    65 S   CA   _C9_    68     1.51262   113.65497   -68.62266
   69    68 S   CA   _C4_    69     1.40293   120.59095   -72.32372
   70    69 S   HA   _H7_    70     1.08744   120.27825    -0.68185
   71    69 S   CA   _C5_    71     1.39679   120.58241   179.22899
   72    71 S   HA   _H8_    72     1.08635   119.46088  -179.90109
   73    71 S   CA   _C6_    73     1.39337   119.69405     0.02798
   74    73 S   CA   _C7_    74     1.39194   120.19741    -0.03956
   75    73 S   OH   _O40    79     1.36667   120.60990   179.85065
   76    75 S   HO   _H19    80     0.97418   108.85763     2.78390
   77    68 S   CA   _C8_    75     1.40279   120.27540   106.89699
   78    77 S   HA   _H9_    76     1.08705   119.90392     0.63735
   79    74 S   OH   _O39    77     1.36742   119.27677  -179.93439
   80    79 S   HO   _H18    78     0.97185   108.84856   179.37882
  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   9   5   4   3
  16   7   2   1   1  15  13   6   5   8   3   9   6   7   3   9
   4   3   1   1  10   4   4   3  10   7   2   1   1   6   2   1
   9   4   3   9   8   4   7   3   7   6   3   1   3   1   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    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    55    56    59    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    55    56    59    60    61    42    43    46  
   38    39    48    55    56    59    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    55    56    59    50    42    43    46    47    53  
   40    41    44    45    48    49    55    50    51    52    42    43    46  
   41    44    45    48    50    42  
   44    45    48    50    42  
   43    46    47    53    54    57    44    55  
   46    47    53  
   45    48    49    55    56    59    50    51    52  
   48    49    55    50    51    52  
   47    53    54    57    58    62    65  
   53    54    57  
   49    55    56    59    60    61    50    51    52  
   55    56    59    50  
   51    52    55  
   52  
    0  
   54    57    58    62    63    64    65    66    67    68  
   57    58    62    65  
   56    59    60    61  
   59    60    61  
   58    62    63    64    65    66    67    68    69    77  
   62    63    64    65    66    67    68  
   60    61  
   61  
    0  
   63    64    65    66    67    68  
   64    65  
   65  
   66    67    68    69    70    71    74    77    78  
   67    68    69    77  
   68    69    77  
   69    70    71    72    73    74    77    78    79  
   70    71    72    73    74    77    78    75  
   71    72    73    77  
   72    73    74    77    79    75    76  
   73    74    75  
   74    77    78    79    80    75    76  
   77    78    79    80    75    76  
   76    77    79  
    0  
   78    79    80  
   79  
   80  
    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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.263400   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.273100   1.4250   1.2500   0.008598240   0.268726247
   48   3.3000   0.1700  -0.625000   1.8650   1.6500   0.051222218  -2.220205820
   49   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   3.2500   0.1700  -0.139000   2.2900   2.0360   0.003973653   1.685851020
   54   0.5000   0.0300   0.480000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   65   3.5000   0.0660  -0.005000   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   75   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    55   268.000  1.529
   38    39   317.000  1.510
   38    42   549.000  1.340
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    48   305.000  1.457
   44    50   317.000  1.522
   48    49   434.000  1.010
   48    55   305.000  1.457
   55    56   340.000  1.090
   55    59   317.000  1.522
   59    60   656.000  1.250
   59    61   656.000  1.250
   50    51   656.000  1.250
   50    52   656.000  1.250
   42    43   340.000  1.080
   42    46   400.000  1.403
   46    47   385.000  1.083
   46    53   635.000  1.286
   53    54   490.000  1.015
   53    57   280.000  1.462
   57    58   340.000  1.090
   57    62   317.000  1.522
   57    65   268.000  1.529
   62    63   656.000  1.250
   62    64   656.000  1.250
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   317.000  1.510
   68    69   469.000  1.400
   68    77   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   469.000  1.400
   73    75   450.000  1.364
   74    77   469.000  1.400
   74    79   450.000  1.364
   77    78   367.000  1.080
   79    80   553.000  0.945
   75    76   553.000  0.945
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  112.20000
   29    33    55    75.00000  108.68000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    55    48    80.00000  111.22000
   33    55    56    37.50000  110.70000
   33    55    59    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    44    70.00000  112.02700
   38    42    43    35.00000  120.00000
   38    42    46    65.00000  121.68800
   39    44    45    37.50000  110.70000
   39    44    48    80.00000  111.22000
   39    44    50    63.00000  111.10000
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    48    49    50.00000  111.55300
   44    48    55    51.80000  107.20000
   44    50    51    70.00000  117.00000
   44    50    52    70.00000  117.00000
   48    44    45    50.00000  109.55000
   48    55    56    50.00000  109.55000
   48    55    59    75.00000  111.54000
   55    33    34    37.50000  110.70000
   55    33    38    70.00000  112.02700
   55    48    49    50.00000  111.55300
   55    59    60    70.00000  117.00000
   55    59    61    70.00000  117.00000
   59    55    56    35.00000  109.50000
   61    59    60    80.00000  126.00000
   50    44    45    35.00000  109.50000
   50    44    48    75.00000  111.54000
   52    50    51    80.00000  126.00000
   42    38    39    70.00000  124.00000
   42    46    47    40.00000  123.36000
   42    46    53    65.00000  126.03000
   46    42    43    40.00000  116.17200
   46    53    54    45.00000  118.89500
   46    53    57    70.00000  122.59000
   53    46    47    45.00000  118.03900
   53    57    58    50.00000  106.46400
   53    57    62    75.00000  110.00000
   53    57    65    75.00000  111.57000
   57    53    54    45.00000  117.21000
   57    62    63    70.00000  117.00000
   57    62    64    70.00000  117.00000
   57    65    66    37.50000  110.70000
   57    65    67    37.50000  110.70000
   57    65    68    63.00000  114.00000
   62    57    58    35.00000  109.50000
   64    62    63    80.00000  126.00000
   65    57    58    37.50000  110.70000
   65    57    62    63.00000  111.10000
   65    68    69    70.00000  120.00000
   65    68    77    70.00000  120.00000
   67    65    66    33.00000  107.80000
   68    65    66    35.00000  109.50000
   68    65    67    35.00000  109.50000
   68    69    70    35.00000  120.00000
   68    69    71    63.00000  120.00000
   68    77    74    63.00000  120.00000
   68    77    78    35.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    63.00000  120.00000
   71    73    75    70.00000  120.00000
   73    71    72    35.00000  120.00000
   73    74    77    63.00000  120.00000
   73    74    79    70.00000  120.00000
   73    75    76    35.00000  113.00000
   74    77    78    35.00000  120.00000
   74    79    80    35.00000  113.00000
   77    68    69    63.00000  120.00000
   79    74    77    70.00000  120.00000
   75    73    74    70.00000  120.00000
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    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    55    48   0.56750  1.0 1.0
   29    33    55    48  -0.07550 -1.0 2.0
   29    33    55    48   0.20000  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    59  -2.17200  1.0 1.0
   29    33    55    59  -0.85700 -1.0 2.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    41   0.34800  1.0 3.0
   33    38    39    44   0.46850  1.0 1.0
   33    38    39    44   0.08550 -1.0 2.0
   33    38    39    44   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    55    59    60   0.00000  1.0 1.0
   33    55    59    61   0.00000  1.0 1.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    55    48   0.15000  1.0 3.0
   34    33    55    56   0.15000  1.0 3.0
   34    33    55    59  -0.03800  1.0 3.0
   38    33    55    48   0.59950  1.0 1.0
   38    33    55    48  -0.21400 -1.0 2.0
   38    33    55    48   0.56200  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    59  -0.98800  1.0 1.0
   38    33    55    59   0.48800 -1.0 2.0
   38    33    55    59   0.76800  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39   -44    48   0.59950  1.0 1.0
   38    39   -44    48  -0.21400 -1.0 2.0
   38    39   -44    48   0.56200  1.0 3.0
   38    39    44    50  -0.98800  1.0 1.0
   38    39    44    50   0.48800 -1.0 2.0
   38    39    44    50   0.76800  1.0 3.0
   38    42    46    47   1.36050 -1.0 2.0
   38    42    46    53   1.09700  1.0 1.0
   38    42    46    53   0.56350 -1.0 2.0
   38    42    46    53   0.49350  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   39    44    48    49  -0.15950  1.0 1.0
   39    44    48    49   0.34650 -1.0 2.0
   39    44    48    49   0.05750  1.0 3.0
   39    44    48    55   0.23450  1.0 1.0
   39    44    48    55   0.02050 -1.0 2.0
   39    44    48    55   0.25250  1.0 3.0
   39    44    50    51   0.00000  1.0 1.0
   39    44    50    52   0.00000  1.0 1.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    48   0.15000  1.0 3.0
   40    39    44    50  -0.03800  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    48   0.15000  1.0 3.0
   41    39    44    50  -0.03800  1.0 3.0
   44    48   -55    33   0.23450  1.0 1.0
   44    48   -55    33   0.02050 -1.0 2.0
   44    48   -55    33   0.25250  1.0 3.0
   44    48    55    56   0.28000  1.0 3.0
   44    48    55    59  -1.76800  1.0 1.0
   44    48    55    59   1.02600 -1.0 2.0
   44    48    55    59   0.19700  1.0 3.0
   45    44    48    49   0.20000  1.0 3.0
   45    44    48    55   0.28000  1.0 3.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    52   0.00000  1.0 1.0
   48    44    50    51   0.30150 -1.0 2.0
   48    44    50    52   0.30150 -1.0 2.0
   48    55    59    60   0.30150 -1.0 2.0
   48    55    59    61   0.30150 -1.0 2.0
   49    48    55    33  -0.15950  1.0 1.0
   49    48    55    33   0.34650 -1.0 2.0
   49    48    55    33   0.05750  1.0 3.0
   49    48    55    56   0.20000  1.0 3.0
   49    48    55    59   0.21900  1.0 1.0
   49    48    55    59  -0.24900 -1.0 2.0
   49    48    55    59   0.15200  1.0 3.0
   55    33   -38    39   0.46850  1.0 1.0
   55    33   -38    39   0.08550 -1.0 2.0
   55    33   -38    39   0.09800  1.0 3.0
   55    33    38    42   0.09850  1.0 1.0
   55    33    38    42   0.15250 -1.0 2.0
   55    33    38    42  -0.50650  1.0 3.0
   56    55    59    60   0.00000  1.0 1.0
   56    55    59    61   0.00000  1.0 1.0
   50    44    48    49   0.21900  1.0 1.0
   50    44    48    49  -0.24900 -1.0 2.0
   50    44    48    49   0.15200  1.0 3.0
   50    44    48    55  -1.76800  1.0 1.0
   50    44    48    55   1.02600 -1.0 2.0
   50    44    48    55   0.19700  1.0 3.0
   42    38    39    40   0.00000  1.0 1.0
   42    38    39    41   0.00000  1.0 1.0
   42    38    39    44   0.09850  1.0 1.0
   42    38    39    44   0.15250 -1.0 2.0
   42    38    39    44  -0.50650  1.0 3.0
   42    46    53    54   2.00000 -1.0 2.0
   42    46    53    57   2.00000 -1.0 2.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    53   0.97550 -1.0 2.0
   46    53    57    58  -0.22200  1.0 3.0
   46    53    57    62   0.00000  1.0 1.0
   46    53    57    65   0.00000  1.0 1.0
   47    46    53    54   2.00000 -1.0 2.0
   47    46    53    57   2.00000 -1.0 2.0
   53    57    62    63   0.30150 -1.0 2.0
   53    57    62    64   0.30150 -1.0 2.0
   53    57    65    66   0.15000  1.0 3.0
   53    57    65    67   0.15000  1.0 3.0
   53    57    65    68   0.56750  1.0 1.0
   53    57    65    68  -0.07550 -1.0 2.0
   53    57    65    68   0.20000  1.0 3.0
   54    53    57    58   0.09500  1.0 3.0
   54    53    57    62   0.00000  1.0 1.0
   54    53    57    65   0.00000  1.0 1.0
   57    65    68    69   0.00000  1.0 1.0
   57    65    68    77   0.00000  1.0 1.0
   58    57    62    63   0.00000  1.0 1.0
   58    57    62    64   0.00000  1.0 1.0
   58    57    65    66   0.15000  1.0 3.0
   58    57    65    67   0.15000  1.0 3.0
   58    57    65    68   0.23100  1.0 3.0
   62    57    65    66  -0.03800  1.0 3.0
   62    57    65    67  -0.03800  1.0 3.0
   62    57    65    68  -0.84850  1.0 1.0
   62    57    65    68  -0.22800 -1.0 2.0
   62    57    65    68   0.29250  1.0 3.0
   65    57    62    63   0.00000  1.0 1.0
   65    57    62    64   0.00000  1.0 1.0
   65    68    69    70   3.62500 -1.0 2.0
   65    68    69    71   3.62500 -1.0 2.0
   65    68    77    74   3.62500 -1.0 2.0
   65    68    77    78   3.62500 -1.0 2.0
   66    65    68    69   0.00000  1.0 1.0
   66    65    68    77   0.00000  1.0 1.0
   67    65    68    69   0.00000  1.0 1.0
   67    65    68    77   0.00000  1.0 1.0
   68    69    71    72   3.62500 -1.0 2.0
   68    69    71    73   3.62500 -1.0 2.0
   69    68    77    74   3.62500 -1.0 2.0
   69    68    77    78   3.62500 -1.0 2.0
   69    71   -73    74   3.62500 -1.0 2.0
   69    71    73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73    74    77   3.62500 -1.0 2.0
   71    73    74    79   3.62500 -1.0 2.0
   71    73    75    76   0.84100 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    74   -77    68   3.62500 -1.0 2.0
   73    74    77    78   3.62500 -1.0 2.0
   73    74    79    80   0.84100 -1.0 2.0
   74    73    75    76   0.84100 -1.0 2.0
   77    68    69    70   3.62500 -1.0 2.0
   77    68   -69    71   3.62500 -1.0 2.0
   77    74    79    80   0.84100 -1.0 2.0
   79    74    77    68   3.62500 -1.0 2.0
   79    74    77    78   3.62500 -1.0 2.0
   75    73    74    77   3.62500 -1.0 2.0
   75    73    74    79   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   60    55    59    61  10.50000 -1.0 2.0
   51    44    50    52  10.50000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   42    47    46    53  10.50000 -1.0 2.0
   57    54    53    46   1.00000 -1.0 2.0
   63    57    62    64  10.50000 -1.0 2.0
   69    77    68    65   4.00000 -1.0 2.0
   71    70    69    68   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   74    75    73    71   4.00000 -1.0 2.0
   77    79    74    73   4.00000 -1.0 2.0
   74    78    77    68   1.10000 -1.0 2.0
END
