* LIGAND DATABASE FILE (OPLS2005)
*
001      98   101    193    314     583
    1     0 S   NP   _N1_     1    28.78138    93.30710   -24.28392
    2     1 S   H    _HN1     2     1.02777   107.79355   -80.63547
    3     1 S   H    _H1_     3     1.02961    89.07179    28.33277
    4     1 S   H    _H2_     4     1.02834    19.50436  -174.13960
    5     1 S   CT   _CA1     5     1.50122   125.90381   143.05043
    6     5 S   HC   _HA1     6     1.09577   105.22285    73.17722
    7     5 S   CO3  _C1_     7     1.53779   112.39869   -46.99647
    8     7 S   O2Z  _O11     8     1.26355   115.00471   -43.78291
    9     7 S   O2Z  _O12     9     1.26242   114.91673   135.37060
   10     5 S   CT   _CB1    10     1.53091   107.41615  -168.95315
   11    10 S   HC   HB11    11     1.09824   109.28389   -51.12146
   12    10 S   HC   HB12    12     1.09818   110.43336    65.41213
   13    10 S   CT   _CG1    13     1.53004   112.69038  -172.24860
   14    13 S   HC   HG11    14     1.09597   110.42334   -64.39799
   15    13 S   HC   HG12    15     1.09654   109.99285    54.82049
   16    13 S   C    _CD1    16     1.51816   112.33052   175.12018
   17    16 S   O    _OE1    17     1.22724   123.27588    -2.44048
   18    16 S   N    _N2_    18     1.38646   111.63034   177.85196
   19    18 S   H    _HN2    19     1.01581   119.04120     0.93733
   20    18 S   CT1  _CA2    20     1.46157   123.33779   179.60435
   21    20 S   HC   _HA2    21     1.09740   109.35402    -7.57121
   22    20 S   C    _C2_    22     1.53511   108.50353  -123.03069
   23    22 S   O    _O2_    23     1.23030   122.17690  -146.74680
   24    20 S   CT   _CB2    32     1.53563   111.73442   114.39086
   25    24 S   HC   HB21    33     1.09556   109.54354    55.19832
   26    24 S   HC   HB22    34     1.08925   109.61953   172.81761
   27    22 S   N    _N3_    24     1.38480   113.46279    40.68714
   28    27 S   H    _HN3    25     1.01516   118.91508    -0.84627
   29    24 S   S    _SG2    35     1.83043   111.38234   -64.39389
   30    27 S   CT   _CA3    26     1.45461   123.58894   175.04477
   31    30 S   HC   HA31    27     1.09514   109.41089    20.94117
   32    30 S   HC   HA32    28     1.09501   107.08025   137.98139
   33    29 S   CT   _C14    36     1.90707   104.94755  -148.99333
   34    30 S   CO3  _C3_    29     1.52920   112.98971  -102.64942
   35    34 S   O2Z  _O31    30     1.26408   115.36158   -45.12760
   36    34 S   O2Z  _O32    31     1.26347   115.01068   135.76800
   37    33 S   CT   _C13    37     1.60638   111.62027   -35.95550
   38    37 S   HC   _H4_    38     1.09193   110.58994     4.26618
   39    33 S   CT   _C15    77     1.60026   103.02702  -151.70087
   40    39 S   HC   _H5_    78     1.09774   107.47287  -167.78266
   41    37 S   CT   _C12    39     1.53794   113.58307   121.97530
   42    41 S   HC   _H15    40     1.09286   110.26320   -73.64770
   43    41 S   HC   _H16    41     1.09579   110.81938   172.24432
   44    37 S   CT   _C18    64     1.55040   112.04712  -113.37676
   45    44 S   HC   _H6_    65     1.09990   107.15563   -63.82945
   46    39 S   OH   _O38    79     1.43413   112.98905   -51.46136
   47    46 S   HO   _H32    80     0.97245   107.83471  -173.87769
   48    41 S   CT   _C11    42     1.51832   112.54681    50.13845
   49    48 S   HC   _H13    43     1.09784   108.00539  -177.97281
   50    48 S   HC   _H14    44     1.09635   109.80618    66.19970
   51    44 S   CT   _C19    66     1.52956   118.09525   177.99885
   52    51 S   HC   _H19    67     1.09502   111.94717    79.60224
   53    51 S   HC   _H20    68     1.09578   111.59192   -40.96683
   54    48 S   CM   _C8_    45     1.50505   113.54192   -56.17399
   55    51 S   CT   _C20    69     1.53822   104.82149  -160.54315
   56    55 S   HC   _H21    70     1.09538   108.51245   129.12796
   57    55 S   HC   _H22    71     1.09607   109.95734  -113.80346
   58    54 S   CM   _C9_    46     1.34630   117.33693  -167.39057
   59    58 S   HC   _H12    47     1.08579   121.39829    -2.46275
   60    55 S   CT   _C21    72     1.55145   106.49940     7.31577
   61    58 S   CO4  _C10    48     1.48388   122.65872   174.88848
   62    61 S   O    _O33    49     1.22988   118.98913  -179.06497
   63    44 S   CT   _C17    73     1.54333   113.89302    56.27808
   64    60 S   CO4  _C22    85     1.53909   112.91223   146.81126
   65    64 S   O    _O34    86     1.23260   121.54229    -6.17041
   66    60 S   OH   _O37    97     1.42820   107.89790   -95.46794
   67    66 S   HO   _H28    98     0.97305   108.20427   -56.41839
   68    61 S   CT   _C5_    50     1.51795   118.20104    -1.98199
   69    68 S   HC   _H3_    51     1.09473   107.92013   -90.70229
   70    63 S   CT   _C16    74     1.53517   108.07916   -62.02349
   71    70 S   HC   _H17    75     1.09728   110.87145  -110.28541
   72    70 S   HC   _H18    76     1.09861   110.52288   135.84360
   73    63 S   CT   _C26    81     1.55131   113.36998    59.27262
   74    73 S   HC   _H29    82     1.09413   112.86206    58.54751
   75    73 S   HC   _H30    83     1.08988   112.34573   -62.53093
   76    73 S   HC   _H31    84     1.09574   110.98343   178.64506
   77    64 S   CT   _C23    87     1.52136   117.41828   173.84324
   78    77 S   HC   _H23    88     1.09290   109.07513    66.51030
   79    77 S   HC   _H24    89     1.09407   109.17636   -55.38470
   80    68 S   CT   _C6_    52     1.53460   108.89185    30.09165
   81    80 S   HC   _H10    53     1.09514   105.06282    63.65285
   82    80 S   HC   _H11    54     1.09660   109.28667   179.14043
   83    68 S   CT   _C4_    60     1.52863   110.64627   151.52152
   84    83 S   HC   _H7_    61     1.09571   111.39956   -57.74236
   85    83 S   HC   _H8_    62     1.09494   110.88159  -178.42393
   86    83 S   HC   _H9_    63     1.09547   110.88160    61.88296
   87    77 S   OS   _O35    90     1.43001   108.83405  -174.62699
   88    33 S   CT   _C7_    55     1.64688   109.01287    89.32094
   89    87 S   CO4  _C24    91     1.36258   115.23367   179.18219
   90    89 S   O    _O36    92     1.22337   126.19358    -0.27268
   91    88 S   CT   _C27    56     1.55972   113.42998   -45.97092
   92    91 S   HC   _H33    57     1.09535   111.70806    73.83708
   93    91 S   HC   _H34    58     1.08753   113.78347   -48.32595
   94    91 S   HC   _H35    59     1.09664   112.05424  -166.91160
   95    89 S   CT   _C25    93     1.49833   109.62959   179.77015
   96    95 S   HC   _H25    94     1.09290   109.83493   -60.83866
   97    95 S   HC   _H26    95     1.09380   109.35717  -179.87028
   98    95 S   HC   _H27    96     1.09289   109.83439    61.07839
  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  13   5   4   3
  28   2   1   1  24  10  15   7  12   6   5  20   8   6   1   9
   4   3  11   6   5  13  11   5   4   9   4  16  11   4  12  10
   5   4   1  10   8   7   2   1   3   2   1   1   6   3   2  11
   4   3   4   2   1   1   6   4   5   4   3   2   1   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    88    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    54    80    88    91    44    70    39    40    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    43    48    54    58    68    80    81    82    88    91    92    93    94    44    45    51    63    70    71    72    39    40    46    47  
   35    36  
   36  
    0  
   38    41    42    43    48    49    50    54    80    88    91    44    45    51    52    53    55    60    63    70    39    40    46    73  
   41    42    43    48    88    44    45    51    63    39  
   40    46    47    73    41    44    54    60    63    70    71    72    80    88    91  
   46    47    63    70    71    72    88  
   42    43    48    49    50    54    58    88    44    45    51    63  
   43    48    49    50    54    44  
   48    49    50    54    44  
   45    51    52    53    55    56    57    60    63    70    71    72    73    74    75    76    64    66    48    88  
   51    52    53    55    60    63    70    73  
   47    63    70    71    72    88  
   70  
   49    50    54    58    59    61    80    88    91  
   50    54    58    88  
   54    58    88  
   52    53    55    56    57    60    63    70    73    64    66  
   53    55    56    57    60    63  
   55    56    57    60    63  
   58    59    61    62    68    80    81    82    88    91    92    93    94  
   56    57    60    63    70    73    64    65    77    66    67  
   57    60    63    64    66  
   60    63    64    66  
   59    61    62    68    69    80    88    91    83  
   61    62    68    88  
   63    70    71    72    73    74    75    76    64    65    77    78    79    87    66    67  
   62    68    69    80    81    82    88    83    84    85    86  
   68    69    80    83  
   70    71    72    73    74    75    76    64    65    77    66    67  
   65    77    78    79    87    89    66    67    70    73  
   77    78    79    87    66  
   67    70    73    77  
    0  
   69    80    81    82    88    91    83    84    85    86  
   80    81    82    88    83    84    85    86  
   71    72    73    74    75    76    88  
   72    73  
   73  
   74    75    76  
   75    76  
   76  
    0  
   78    79    87    89    90    95  
   79    87    89  
   87    89  
   81    82    88    91    92    93    94    83    84    85    86  
   82    88    91    83  
   88    91    83  
   84    85    86    88  
   85    86  
   86  
    0  
   89    90    95    96    97    98  
   91    92    93    94  
   90    95    96    97    98  
   95    96    97    98  
   92    93    94  
   93    94  
   94  
    0  
   96    97    98  
   97    98  
   98  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   79   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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
   87   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   88   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   89   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   91   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   33    88   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    41   268.000  1.529
   37    44   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   317.000  1.510
   54    58   549.000  1.340
   54    88   317.000  1.510
   58    59   340.000  1.080
   58    61   320.000  1.462
   61    62   570.000  1.229
   61    68   317.000  1.522
   68    69   340.000  1.090
   68    80   268.000  1.529
   68    83   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    88   268.000  1.529
   88    91   268.000  1.529
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   44    45   340.000  1.090
   44    51   268.000  1.529
   44    63   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    63   268.000  1.529
   60    64   317.000  1.522
   60    66   320.000  1.410
   63    70   268.000  1.529
   63    73   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    39   268.000  1.529
   39    40   340.000  1.090
   39    46   320.000  1.410
   46    47   553.000  0.945
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   64    65   570.000  1.229
   64    77   317.000  1.522
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    87   320.000  1.410
   87    89   214.000  1.327
   89    90   570.000  1.229
   89    95   317.000  1.522
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   66    67   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    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  111.63000
   29    33    88    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    41    58.35000  112.70000
   33    37    44    58.35000  112.70000
   33    88    54    70.00000  112.02700
   33    88    80    58.35000  112.70000
   33    88    91    58.35000  112.70000
   33    39    70    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    46    50.00000  109.50000
   37    41    42    37.50000  110.70000
   37    41    43    37.50000  110.70000
   37    41    48    58.35000  112.70000
   37    44    45    37.50000  110.70000
   37    44    51    58.35000  112.70000
   37    44    63    58.35000  112.70000
   41    37    38    37.50000  110.70000
   41    48    49    37.50000  110.70000
   41    48    50    37.50000  110.70000
   41    48    54    70.00000  112.02700
   43    41    42    33.00000  107.80000
   48    41    42    37.50000  110.70000
   48    41    43    37.50000  110.70000
   48    54    58    70.00000  124.00000
   48    54    88    65.00000  117.92700
   50    48    49    33.00000  107.80000
   54    48    49    35.00000  109.50000
   54    48    50    35.00000  109.50000
   54    58    59    35.00000  120.00000
   54    58    61    65.00000  118.96000
   54    88    80    70.00000  112.02700
   54    88    91    70.00000  112.02700
   58    61    62    80.00000  123.72100
   58    61    68    65.00000  118.62400
   61    58    59    40.00000  117.72500
   61    68    69    35.00000  109.50000
   61    68    80    63.00000  111.10000
   61    68    83    63.00000  111.10000
   68    61    62    80.00000  120.40000
   68    80    81    37.50000  110.70000
   68    80    82    37.50000  110.70000
   68    80    88    58.35000  112.70000
   68    83    84    37.50000  110.70000
   68    83    85    37.50000  110.70000
   68    83    86    37.50000  110.70000
   80    68    69    37.50000  110.70000
   80    88    91    58.35000  112.70000
   82    80    81    33.00000  107.80000
   88    33    37    58.35000  112.70000
   88    54    58    70.00000  124.00000
   88    80    81    37.50000  110.70000
   88    80    82    37.50000  110.70000
   88    91    92    37.50000  110.70000
   88    91    93    37.50000  110.70000
   88    91    94    37.50000  110.70000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   83    68    69    37.50000  110.70000
   83    68    80    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
   44    37    38    37.50000  110.70000
   44    37    41    58.35000  112.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    55    58.35000  112.70000
   44    63    60    58.35000  112.70000
   44    63    70    58.35000  112.70000
   44    63    73    58.35000  112.70000
   51    44    45    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    60    58.35000  112.70000
   53    51    52    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    37.50000  110.70000
   55    60    63    58.35000  112.70000
   55    60    64    63.00000  111.10000
   55    60    66    50.00000  109.50000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    63    70    58.35000  112.70000
   60    63    73    58.35000  112.70000
   60    64    65    80.00000  120.40000
   60    64    77    70.00000  116.00000
   60    66    67    55.00000  108.50000
   63    44    45    37.50000  110.70000
   63    44    51    58.35000  112.70000
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    39    58.35000  112.70000
   63    73    74    37.50000  110.70000
   63    73    75    37.50000  110.70000
   63    73    76    37.50000  110.70000
   70    39    40    37.50000  110.70000
   70    39    46    50.00000  109.50000
   72    70    71    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    88    58.35000  112.70000
   39    70    71    37.50000  110.70000
   39    70    72    37.50000  110.70000
   39    46    47    55.00000  108.50000
   46    39    40    35.00000  109.50000
   73    63    70    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   64    60    63    63.00000  111.10000
   64    77    78    35.00000  109.50000
   64    77    79    35.00000  109.50000
   64    77    87    90.00000  108.74100
   77    64    65    80.00000  120.40000
   77    87    89    83.00000  116.90000
   79    77    78    33.00000  107.80000
   87    77    78    35.00000  109.50000
   87    77    79    35.00000  109.50000
   87    89    90    83.00000  123.40000
   87    89    95    81.00000  111.40000
   89    95    96    35.00000  109.50000
   89    95    97    35.00000  109.50000
   89    95    98    35.00000  109.50000
   95    89    90    80.00000  120.40000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   66    60    63    50.00000  109.50000
   66    60    64    90.00000  109.61100
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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    88   0.01700  1.0 1.0
   24    29    33    88  -0.23550 -1.0 2.0
   24    29    33    88   0.21350  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    37    38   0.15000  1.0 3.0
   29    33    37    41   0.44750  1.0 1.0
   29    33    37    41  -0.17800 -1.0 2.0
   29    33    37    41   0.20200  1.0 3.0
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   66    60    63    44  -0.17500 -1.0 2.0
   66    60    63    44   0.20800  1.0 3.0
   66    60    63    70   0.86500  1.0 1.0
   66    60    63    70  -0.17500 -1.0 2.0
   66    60    63    70   0.20800  1.0 3.0
   66    60    63    73   0.86500  1.0 1.0
   66    60    63    73  -0.17500 -1.0 2.0
   66    60    63    73   0.20800  1.0 3.0
   66    60    64    65   0.30150 -1.0 2.0
   66    60    64    77   0.55300  1.0 1.0
   66    60    64    77   1.25850 -1.0 2.0
   66    60    64    77  -0.23600  1.0 3.0
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
   35    30    34    36  10.50000 -1.0 2.0
   48    88    54    58   1.10000 -1.0 2.0
   61    59    58    54   1.10000 -1.0 2.0
   58    68    61    62  10.50000 -1.0 2.0
   60    77    64    65  10.50000 -1.0 2.0
   87    95    89    90  10.50000 -1.0 2.0
END
