* LIGAND DATABASE FILE (OPLS2005)
*
001      90    89    151    219     435
    1     0 S   NP   _N1_     1    28.48330    93.98360   -21.06465
    2     1 S   H    _HN1     2     1.02780    92.00299   -77.36116
    3     1 S   H    _H1_     3     1.02956    92.22246    31.05392
    4     1 S   H    _H2_     4     1.02837    27.25971   155.56849
    5     1 S   CT   _CA1     5     1.50107   138.01607   155.46743
    6     5 S   HC   _HA1     6     1.09582   105.21675    59.22415
    7     5 S   CO3  _C1_     7     1.53722   112.34128   -60.89833
    8     7 S   O2Z  _O11     8     1.26359   115.04945   -46.12679
    9     7 S   O2Z  _O12     9     1.26217   114.86860   133.00370
   10     5 S   CT   _CB1    10     1.53081   107.42599   176.99001
   11    10 S   HC   HB11    11     1.09823   109.19454   -51.83704
   12    10 S   HC   HB12    12     1.09818   110.48047    64.65850
   13    10 S   CT   _CG1    13     1.53018   112.71954  -173.00731
   14    13 S   HC   HG11    14     1.09619   110.36850   -64.97759
   15    13 S   HC   HG12    15     1.09650   110.03994    54.23646
   16    13 S   C    _CD1    16     1.51851   112.28312   174.45168
   17    16 S   O    _OE1    17     1.22722   123.24405    -3.97449
   18    16 S   N    _N2_    18     1.38591   111.64267   176.42845
   19    18 S   H    _HN2    19     1.01585   119.00010     0.68899
   20    18 S   CT1  _CA2    20     1.46318   123.49010  -179.41183
   21    20 S   HC   _HA2    21     1.09728   109.44614    -9.65529
   22    20 S   C    _C2_    22     1.53443   108.34445  -125.34543
   23    22 S   O    _O2_    23     1.23016   122.23977  -146.20725
   24    20 S   CT   _CB2    32     1.53370   111.18137   112.48715
   25    24 S   HC   HB21    33     1.09463   109.33043    54.98352
   26    24 S   HC   HB22    34     1.09499   110.83629   173.67076
   27    22 S   N    _N3_    24     1.38508   113.39002    41.17114
   28    27 S   H    _HN3    25     1.01524   118.88330    -0.90957
   29    24 S   S    _SG2    35     1.82776   111.40073   -66.80302
   30    27 S   CT   _CA3    26     1.45463   123.62283   175.17753
   31    30 S   HC   HA31    27     1.09513   109.44650    19.97195
   32    30 S   HC   HA32    28     1.09506   107.06564   137.00812
   33    29 S   CT   _C17    36     1.84348    99.90077   159.92979
   34    33 S   HC   _H3_    37     1.09630   105.74827    47.66488
   35    30 S   CO3  _C3_    29     1.52921   112.98403  -103.65345
   36    35 S   O2Z  _O31    30     1.26414   115.35976   -45.25941
   37    35 S   O2Z  _O32    31     1.26349   115.01298   135.64276
   38    33 S   CM   _C15    38     1.53175   111.39875   -70.81705
   39    33 S   CT   _C18    85     1.53434   110.08036   165.37842
   40    39 S   HC   _H20    86     1.09845   110.75244    55.61383
   41    39 S   HC   _H21    87     1.09894   109.22717   172.20583
   42    38 S   CM   _C14    39     1.35090   121.93575   -53.66130
   43    42 S   HC   _H16    40     1.08977   117.90742    -0.26095
   44    38 S   CT   _C16    81     1.50886   113.23528   127.20848
   45    44 S   HC   _H17    82     1.09506   110.12239   -61.16959
   46    44 S   HC   _H18    83     1.09123   114.14753   178.22955
   47    44 S   HC   _H19    84     1.09545   109.82918    57.97357
   48    39 S   CO3  _C19    88     1.53331   115.75536   -69.16736
   49    48 S   O2Z  _O34    89     1.26445   114.43996   148.93440
   50    48 S   O2Z  _O33    90     1.26204   116.16791   -32.30854
   51    42 S   CM   _C13    41     1.44931   127.71486   179.66604
   52    51 S   HC   _H15    42     1.08296   117.64854     2.30707
   53    51 S   CM   _C12    43     1.34430   122.43100  -177.48643
   54    53 S   HC   _H14    44     1.09060   117.93422     0.25564
   55    53 S   CM   _C10    45     1.46722   126.77091   179.90935
   56    55 S   CM   _C9_    46     1.35024   118.09451  -178.84988
   57    56 S   HC   _H10    47     1.09079   118.21030     0.09691
   58    55 S   CT   _C11    77     1.50798   117.36154     0.90914
   59    58 S   HC   _H11    78     1.09581   110.48305    59.88762
   60    58 S   HC   _H12    79     1.09186   113.81533   179.69868
   61    58 S   HC   _H13    80     1.09580   110.48778   -60.47742
   62    56 S   CM   _C8_    48     1.44954   127.89572   179.64392
   63    62 S   HC   _H9_    49     1.08455   118.35882     2.13506
   64    62 S   CM   _C7_    50     1.34359   122.48899  -177.72136
   65    64 S   HC   _H8_    51     1.08536   119.03932     0.19383
   66    64 S   CM   _C6_    52     1.44902   122.79014   179.94766
   67    66 S   HC   _H7_    53     1.09026   114.46700    -0.02798
   68    66 S   CM   _C5_    54     1.34869   127.17521  -179.53438
   69    68 S   CM   _C20    55     1.46091   121.01986   179.04019
   70    69 S   HC   _H22    56     1.08863   115.17437  -133.33895
   71    68 S   CT   _C4_    73     1.50614   125.95833     1.41651
   72    71 S   HC   _H4_    74     1.09610   110.24504  -124.20365
   73    71 S   HC   _H5_    75     1.09589   110.42631   116.24411
   74    71 S   HC   _H6_    76     1.09196   113.73707    -4.24639
   75    69 S   CM   _C21    57     1.34376   124.87848    48.62381
   76    75 S   HC   _H23    58     1.08451   119.02756    -0.37115
   77    75 S   CM   _C22    59     1.44967   122.64639   179.17433
   78    77 S   HC   _H24    60     1.09079   114.04338    -0.00000
   79    77 S   CM   _C23    61     1.35070   127.69872   180.00000
   80    79 S   CM   _C25    62     1.46766   118.21228   179.95577
   81    80 S   HC   _H28    63     1.08942   115.23018     0.06256
   82    79 S   CT   _C24    69     1.50849   124.56247    -0.06853
   83    82 S   HC   _H25    70     1.09582   110.48886  -119.95624
   84    82 S   HC   _H26    71     1.09180   113.85209    -0.17583
   85    82 S   HC   _H27    72     1.09580   110.48748   119.66171
   86    80 S   CM   _C26    64     1.34214   126.62466  -179.92598
   87    86 S   HC   _H29    65     1.08792   120.80939     0.00000
   88    86 S   CO3  _C27    66     1.53565   121.86788   180.00000
   89    88 S   O2Z  _O36    67     1.26251   117.02854     0.01978
   90    88 S   O2Z  _O35    68     1.26624   113.86743  -179.97202
  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
  15   7   2   1   1  13   7   4   3  10   4   4   2   1   1   2
   1   1   6   3   9   3   9  10   4   4   2   1   1   6   3   6
   3   9   3   9  10   4   4   2   1   1   6   3   9   3   9  10
   4   4   2   1   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    44    39    40    41    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    51    44    45    46    47    39    40    41    48    49    50  
   38    42    44    39    40    41    48  
   36    37  
   37  
    0  
   42    43    51    52    53    44    45    46    47    39    40    41    48  
   40    41    48    49    50    42    44  
   41    48    49    50  
   48    49    50  
   43    51    52    53    54    55    44    45    46    47  
   51    52    53    44  
   45    46    47    51  
   46    47  
   47  
    0  
   49    50  
   50  
    0  
   52    53    54    55    56    58  
   53    54    55  
   54    55    56    57    62    58    59    60    61  
   55    56    58  
   56    57    62    63    64    58    59    60    61  
   57    62    63    64    65    66    58    59    60    61  
   62    63    64    58  
   59    60    61    62  
   60    61  
   61  
    0  
   63    64    65    66    67    68  
   64    65    66  
   65    66    67    68    69    71  
   66    67    68  
   67    68    69    70    75    71    72    73    74  
   68    69    71  
   69    70    75    76    77    71    72    73    74  
   70    75    76    77    78    79    71    72    73    74  
   75    76    77    71  
   72    73    74    75  
   73    74  
   74  
    0  
   76    77    78    79    80    82  
   77    78    79  
   78    79    80    81    86    82    83    84    85  
   79    80    82  
   80    81    86    87    88    82    83    84    85  
   81    86    87    88    89    90    82    83    84    85  
   86    87    88    82  
   83    84    85    86  
   84    85  
   85  
    0  
   87    88    89    90  
   88    89    90  
   89    90  
   90  
    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  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.3810   1.2100   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   80   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.425300   2.0020   1.7750   0.023028004  -0.852763146
   87   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   88   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    39   268.000  1.529
   38    42   549.000  1.340
   38    44   317.000  1.510
   42    43   340.000  1.080
   42    51   380.000  1.444
   51    52   340.000  1.080
   51    53   549.000  1.340
   53    54   340.000  1.080
   53    55   380.000  1.444
   55    56   549.000  1.340
   55    58   317.000  1.510
   56    57   340.000  1.080
   56    62   380.000  1.444
   62    63   340.000  1.080
   62    64   549.000  1.340
   64    65   340.000  1.080
   64    66   380.000  1.444
   66    67   340.000  1.080
   66    68   549.000  1.340
   68    69   380.000  1.444
   68    71   317.000  1.510
   69    70   340.000  1.080
   69    75   549.000  1.340
   75    76   340.000  1.080
   75    77   380.000  1.444
   77    78   340.000  1.080
   77    79   549.000  1.340
   79    80   380.000  1.444
   79    82   317.000  1.510
   80    81   340.000  1.080
   80    86   549.000  1.340
   86    87   340.000  1.080
   86    88   230.000  1.545
   88    89   656.000  1.250
   88    90   656.000  1.250
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    48   317.000  1.522
   48    49   656.000  1.250
   48    50   656.000  1.250
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    39    75.00000  111.63000
   33    38    42    70.00000  124.00000
   33    38    44    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    48    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    51    70.00000  123.01800
   38    44    45    35.00000  109.50000
   38    44    46    35.00000  109.50000
   38    44    47    35.00000  109.50000
   42    51    52    35.00000  120.00000
   42    51    53    70.00000  123.01800
   51    42    43    35.00000  120.00000
   51    53    54    35.00000  120.00000
   51    53    55    70.00000  123.01800
   53    51    52    35.00000  120.00000
   53    55    56    70.00000  123.01800
   53    55    58    70.00000  124.00000
   55    53    54    35.00000  120.00000
   55    56    57    35.00000  120.00000
   55    56    62    70.00000  123.01800
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    61    35.00000  109.50000
   56    62    63    35.00000  120.00000
   56    62    64    70.00000  123.01800
   62    56    57    35.00000  120.00000
   62    64    65    35.00000  120.00000
   62    64    66    70.00000  123.01800
   64    62    63    35.00000  120.00000
   64    66    67    35.00000  120.00000
   64    66    68    70.00000  123.01800
   66    64    65    35.00000  120.00000
   66    68    69    70.00000  123.01800
   66    68    71    70.00000  124.00000
   68    66    67    35.00000  120.00000
   68    69    70    35.00000  120.00000
   68    69    75    70.00000  123.01800
   68    71    72    35.00000  109.50000
   68    71    73    35.00000  109.50000
   68    71    74    35.00000  109.50000
   69    75    76    35.00000  120.00000
   69    75    77    70.00000  123.01800
   75    69    70    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    70.00000  123.01800
   77    75    76    35.00000  120.00000
   77    79    80    70.00000  123.01800
   77    79    82    70.00000  124.00000
   79    77    78    35.00000  120.00000
   79    80    81    35.00000  120.00000
   79    80    86    70.00000  123.01800
   79    82    83    35.00000  109.50000
   79    82    84    35.00000  109.50000
   79    82    85    35.00000  109.50000
   80    86    87    35.00000  120.00000
   80    86    88    55.00000  124.75400
   86    80    81    35.00000  120.00000
   86    88    89    85.00000  113.83300
   86    88    90    85.00000  113.83300
   88    86    87    40.00000  118.53000
   90    88    89    80.00000  126.00000
   82    79    80    70.00000  124.00000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   71    68    69    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   58    55    56    70.00000  124.00000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   44    38    42    70.00000  124.00000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    48    49    70.00000  117.00000
   39    48    50    70.00000  117.00000
   41    39    40    33.00000  107.80000
   48    39    40    35.00000  109.50000
   48    39    41    35.00000  109.50000
   50    48    49    80.00000  126.00000
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    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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  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    38    44   0.30250  1.0 1.0
   29    33    38    44  -0.14950 -1.0 2.0
   29    33    38    44   0.36900  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    48   0.56750  1.0 1.0
   29    33    39    48  -0.07550 -1.0 2.0
   29    33    39    48   0.20000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    51   7.00000 -1.0 2.0
   33    38    44    45   0.34800  1.0 3.0
   33    38    44    46   0.34800  1.0 3.0
   33    38    44    47   0.34800  1.0 3.0
   33    39    48    49   0.41150 -1.0 2.0
   33    39    48    50   0.41150 -1.0 2.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    44   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    48  -0.11250  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    48  -0.98800  1.0 1.0
   38    33    39    48   0.48800 -1.0 2.0
   38    33    39    48   0.76800  1.0 3.0
   38    42    51    52  -0.18600  1.0 3.0
   38    42    51    53   0.28850  1.0 1.0
   38    42    51    53   2.61350 -1.0 2.0
   38    42    51    53   0.78400  1.0 3.0
   42    38    44    45   0.00000  1.0 1.0
   42    38    44    46   0.00000  1.0 1.0
   42    38    44    47   0.00000  1.0 1.0
   42    51    53    54   7.00000 -1.0 2.0
   42    51    53    55   7.00000 -1.0 2.0
   43    42    51    52   0.00000  1.0 1.0
   43    42    51    53  -0.18600  1.0 3.0
   51    53    55    56   0.28850  1.0 1.0
   51    53    55    56   2.61350 -1.0 2.0
   51    53    55    56   0.78400  1.0 3.0
   51    53    55    58  -0.18600  1.0 3.0
   52    51    53    54   7.00000 -1.0 2.0
   52    51    53    55   7.00000 -1.0 2.0
   53    55    56    57   7.00000 -1.0 2.0
   53    55    56    62   7.00000 -1.0 2.0
   53    55    58    59   0.00000  1.0 1.0
   53    55    58    60   0.00000  1.0 1.0
   53    55    58    61   0.00000  1.0 1.0
   54    53    55    56  -0.18600  1.0 3.0
   54    53    55    58   0.00000  1.0 1.0
   55    56    62    63  -0.18600  1.0 3.0
   55    56    62    64   0.28850  1.0 1.0
   55    56    62    64   2.61350 -1.0 2.0
   55    56    62    64   0.78400  1.0 3.0
   56    55    58    59   0.00000  1.0 1.0
   56    55    58    60   0.00000  1.0 1.0
   56    55    58    61   0.00000  1.0 1.0
   56    62    64    65   7.00000 -1.0 2.0
   56    62    64    66   7.00000 -1.0 2.0
   57    56    62    63   0.00000  1.0 1.0
   57    56    62    64  -0.18600  1.0 3.0
   62    64    66    67  -0.18600  1.0 3.0
   62    64    66    68   0.28850  1.0 1.0
   62    64    66    68   2.61350 -1.0 2.0
   62    64    66    68   0.78400  1.0 3.0
   63    62    64    65   7.00000 -1.0 2.0
   63    62    64    66   7.00000 -1.0 2.0
   64    66    68    69   7.00000 -1.0 2.0
   64    66    68    71   7.00000 -1.0 2.0
   65    64    66    67   0.00000  1.0 1.0
   65    64    66    68  -0.18600  1.0 3.0
   66    68    69    70  -0.18600  1.0 3.0
   66    68    69    75   0.28850  1.0 1.0
   66    68    69    75   2.61350 -1.0 2.0
   66    68    69    75   0.78400  1.0 3.0
   66    68    71    72   0.00000  1.0 1.0
   66    68    71    73   0.00000  1.0 1.0
   66    68    71    74   0.00000  1.0 1.0
   67    66    68    69   7.00000 -1.0 2.0
   67    66    68    71   7.00000 -1.0 2.0
   68    69    75    76   7.00000 -1.0 2.0
   68    69    75    77   7.00000 -1.0 2.0
   69    68    71    72   0.00000  1.0 1.0
   69    68    71    73   0.00000  1.0 1.0
   69    68    71    74   0.00000  1.0 1.0
   69    75    77    78  -0.18600  1.0 3.0
   69    75    77    79   0.28850  1.0 1.0
   69    75    77    79   2.61350 -1.0 2.0
   69    75    77    79   0.78400  1.0 3.0
   70    69    75    76   7.00000 -1.0 2.0
   70    69    75    77   7.00000 -1.0 2.0
   75    77    79    80   7.00000 -1.0 2.0
   75    77    79    82   7.00000 -1.0 2.0
   76    75    77    78   0.00000  1.0 1.0
   76    75    77    79  -0.18600  1.0 3.0
   77    79    80    81  -0.18600  1.0 3.0
   77    79    80    86   0.28850  1.0 1.0
   77    79    80    86   2.61350 -1.0 2.0
   77    79    80    86   0.78400  1.0 3.0
   77    79    82    83   0.00000  1.0 1.0
   77    79    82    84   0.00000  1.0 1.0
   77    79    82    85   0.00000  1.0 1.0
   78    77    79    80   7.00000 -1.0 2.0
   78    77    79    82   7.00000 -1.0 2.0
   79    80    86    87   7.00000 -1.0 2.0
   79    80    86    88   7.00000 -1.0 2.0
   80    79    82    83   0.00000  1.0 1.0
   80    79    82    84   0.00000  1.0 1.0
   80    79    82    85   0.00000  1.0 1.0
   80    86    88    89  -0.04000 -1.0 2.0
   80    86    88    89  -0.29050  1.0 3.0
   80    86    88    90  -0.04000 -1.0 2.0
   80    86    88    90  -0.29050  1.0 3.0
   81    80    86    87   7.00000 -1.0 2.0
   81    80    86    88   7.00000 -1.0 2.0
   87    86    88    89   0.00000  1.0 1.0
   87    86    88    90   0.00000  1.0 1.0
   82    79    80    81   0.00000  1.0 1.0
   82    79    80    86  -0.18600  1.0 3.0
   71    68    69    70   0.00000  1.0 1.0
   71    68    69    75  -0.18600  1.0 3.0
   58    55    56    57   7.00000 -1.0 2.0
   58    55    56    62   7.00000 -1.0 2.0
   44    38    42    43   7.00000 -1.0 2.0
   44    38    42    51   7.00000 -1.0 2.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    33    38    44   0.46850  1.0 1.0
   39    33    38    44   0.08550 -1.0 2.0
   39    33    38    44   0.09800  1.0 3.0
   40    39    48    49   0.00000  1.0 1.0
   40    39    48    50   0.00000  1.0 1.0
   41    39    48    49   0.00000  1.0 1.0
   41    39    48    50   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    44    38    42  15.00000 -1.0 2.0
   51    43    42    38  15.00000 -1.0 2.0
   42    52    51    53  15.00000 -1.0 2.0
   55    54    53    51  15.00000 -1.0 2.0
   53    58    55    56  15.00000 -1.0 2.0
   62    57    56    55  15.00000 -1.0 2.0
   56    63    62    64  15.00000 -1.0 2.0
   66    65    64    62  15.00000 -1.0 2.0
   64    67    66    68  15.00000 -1.0 2.0
   69    71    68    66  15.00000 -1.0 2.0
   68    70    69    75  15.00000 -1.0 2.0
   77    76    75    69  15.00000 -1.0 2.0
   75    78    77    79  15.00000 -1.0 2.0
   80    82    79    77  15.00000 -1.0 2.0
   79    81    80    86  15.00000 -1.0 2.0
   88    87    86    80  15.00000 -1.0 2.0
   89    86    88    90  10.50000 -1.0 2.0
   49    39    48    50  10.50000 -1.0 2.0
END
