* LIGAND DATABASE FILE (OPLS2005)
*
001     103   107    204    342     624
    1     0 S   NP   _N1_     1    28.63132    95.67087   -20.67116
    2     1 S   H    _HN1     2     1.02786    91.43300   -99.90093
    3     1 S   H    _H1_     3     1.02944    78.65628     8.57249
    4     1 S   H    _H2_     4     1.02833    39.88676   143.41848
    5     1 S   CT   _CA1     5     1.50166   148.84206   119.44603
    6     5 S   HC   _HA1     6     1.09571   105.10548    75.44288
    7     5 S   CO3  _C1_     7     1.53769   112.58824   -44.57630
    8     7 S   O2Z  _O11     8     1.26437   115.13264   -36.59321
    9     7 S   O2Z  _O12     9     1.26243   114.96586   142.62668
   10     5 S   CT   _CB1    10     1.53114   107.40954  -166.56490
   11    10 S   HC   HB11    11     1.09834   109.29838   -47.91210
   12    10 S   HC   HB12    12     1.09819   110.35962    68.63472
   13    10 S   CT   _CG1    13     1.53086   112.88341  -168.91466
   14    13 S   HC   HG11    14     1.09587   110.58290   -67.22196
   15    13 S   HC   HG12    15     1.09661   109.85322    52.09235
   16    13 S   C    _CD1    16     1.51905   112.15702   172.48073
   17    16 S   O    _OE1    17     1.22753   123.16939     7.15950
   18    16 S   N    _N2_    18     1.38670   111.82686  -173.23192
   19    18 S   H    _HN2    19     1.01586   119.01373     1.36587
   20    18 S   CT1  _CA2    20     1.46394   123.36672   178.90604
   21    20 S   HC   _HA2    21     1.09741   109.27676    -4.99599
   22    20 S   C    _C2_    22     1.53401   108.55800  -120.46095
   23    22 S   O    _O2_    23     1.23028   122.34681  -148.62468
   24    20 S   CT   _CB2    32     1.53397   111.59624   116.92579
   25    24 S   HC   HB21    33     1.09588   109.78166    57.04859
   26    24 S   HC   HB22    34     1.09485   110.67353   176.39343
   27    22 S   N    _N3_    24     1.38356   113.52453    38.88581
   28    27 S   H    _HN3    25     1.01621   119.50186    -3.56348
   29    24 S   S    _SG2    35     1.82460   111.01522   -63.51684
   30    27 S   CT   _CA3    26     1.45277   123.17378   177.00736
   31    30 S   HC   HA31    27     1.09550   107.53644   -63.82420
   32    30 S   HC   HA32    28     1.09557   107.94673    52.59565
   33    29 S   CT   _C14    36     1.84242    99.71550   171.62769
   34    33 S   HC   _H7_    37     1.09585   107.54603   -26.33584
   35    30 S   CO3  _C3_    29     1.52943   114.10394   174.58040
   36    35 S   O2Z  _O31    30     1.26373   116.06554    -0.43115
   37    35 S   O2Z  _O32    31     1.26429   114.41300   179.62206
   38    33 S   CT   _C6_    38     1.54027   109.57792    94.20332
   39    38 S   HC   _H3_    39     1.09728   114.06268   -36.78873
   40    38 S   CT   _C7_    40     1.55000   102.46174    83.09546
   41    40 S   HC   _H4_    41     1.10128   104.23259   -70.07549
   42    38 S   OS   _O34    97     1.44169   108.74903  -158.98393
   43    40 S   CM   _C25    42     1.52200   118.09802   175.20445
   44    40 S   CT   _C8_    52     1.57885   104.30313    41.95762
   45    42 S   CO4  _C5_    98     1.36289   116.91877    82.00027
   46    45 S   O    _O33    99     1.22307   126.32819     0.55918
   47    43 S   CM   _C26    43     1.44811   117.29621   152.92355
   48    47 S   HC   _H35    44     1.08492   118.97379    -0.09891
   49    44 S   CT   _C9_    53     1.54326   110.26498  -143.22312
   50    49 S   HC   _H12    54     1.09784   110.12875    48.72873
   51    49 S   HC   _H13    55     1.09611   110.60680   -67.97792
   52    44 S   CT   _C24    93     1.55010   110.97328    96.76991
   53    52 S   HC   _H32    94     1.09432   112.17401   -53.08234
   54    52 S   HC   _H33    95     1.09483   111.87393  -173.66859
   55    52 S   HC   _H34    96     1.09578   111.35739    67.25968
   56    45 S   CT   _C4_   100     1.49799   109.45489  -179.34508
   57    56 S   HC   _H9_   101     1.09289   109.82254   -61.14053
   58    56 S   HC   _H10   102     1.09373   109.36961   179.77619
   59    56 S   HC   _H11   103     1.09295   109.79406    60.72982
   60    47 S   CM   _C27    45     1.33624   121.71952  -179.30002
   61    60 S   HC   _H36    46     1.08349   121.55538   179.92598
   62    49 S   CT   _C10    56     1.52829   113.45814   170.33189
   63    62 S   HC   _H14    57     1.09768   109.35871    73.90790
   64    62 S   HC   _H15    58     1.09280   107.01598  -173.48805
   65    60 S   CO4  _C28    47     1.47383   120.58697     0.44235
   66    65 S   O    _O38    48     1.22636   120.69512  -179.01583
   67    62 S   CT   _C11    59     1.54906   114.85951   -48.06752
   68    67 S   HC   _H5_    60     1.09997   105.65102   108.21327
   69    65 S   OS   _O39    49     1.36730   116.98543     1.42217
   70    67 S   CT   _C12    61     1.55130   111.68966    -6.99288
   71    70 S   HC   _H6_    62     1.09371   105.63208   -66.52828
   72    43 S   CM   _C29    50     1.33984   126.44678   -23.69777
   73    72 S   HC   _H37    51     1.07853   126.98962    -1.73821
   74    70 S   CT   _C15    63     1.54030   110.52698   176.99430
   75    74 S   HC   _H17    64     1.09642   110.75536   -65.70704
   76    74 S   HC   _H18    65     1.09561   110.42916   176.80702
   77    33 S   CT   _C13    90     1.57062   116.49630  -148.43322
   78    74 S   CT   _C16    66     1.52087   111.97471    55.81229
   79    78 S   HC   _H19    67     1.09492   108.44562    66.48843
   80    78 S   HC   _H20    68     1.09774   107.77484  -178.43928
   81    77 S   OH   _O35    91     1.44408   104.32552   150.82711
   82    81 S   HO   _H16    92     0.97127   108.68485  -173.32785
   83    78 S   CT   _C17    69     1.54318   112.35923   -57.45827
   84    83 S   CT   _C22    70     1.54304   109.46962  -179.49487
   85    84 S   HC   _H25    71     1.09782   110.65872   165.79978
   86    84 S   HC   _H26    72     1.09898   110.19092    52.31302
   87    83 S   OH   _O37    88     1.43585   107.32179   -63.50240
   88    87 S   HO   _H31    89     0.97257   108.00580   -60.52528
   89    84 S   CT   _C21    73     1.52356   112.83035   -70.25173
   90    89 S   HC   _H8_    74     1.09382   109.50200    67.78600
   91    89 S   CT   _C20    75     1.52230   111.59363   -54.10572
   92    91 S   HC   _H23    76     1.09694   109.99401   -70.07608
   93    91 S   HC   _H24    77     1.09733   109.35604   175.12287
   94    89 S   OH   _O36    86     1.42352   109.07267  -175.13619
   95    94 S   HO   _H27    87     0.97475   106.72442  -165.56060
   96    91 S   CT   _C19    78     1.53008   112.27656    53.33540
   97    96 S   HC   _H21    79     1.09523   107.92126    68.97720
   98    96 S   HC   _H22    80     1.09483   107.30916  -177.34923
   99    67 S   CT   _C18    81     1.58961   113.31186  -136.20094
  100    99 S   CT   _C23    82     1.55643   107.31268   -60.18734
  101   100 S   HC   _H28    83     1.09568   111.35247   -52.97374
  102   100 S   HC   _H29    84     1.09323   112.60134  -173.38085
  103   100 S   HC   _H30    85     1.09496   111.64101    66.88011
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  18   8   2   1   1  16   7  22   8   9  12  19   5   4   8   4
  15   7   6   7   3   2   1   3   2   1   1   5   3  12   5   4
   4   2  21   8   2  14   7   1   1  11   6   5   4  12   5   4
   1   1  17  14   7   6   5   1  10   6   9   6   5   2   1   7
   3   2   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    77    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    70    77    81    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    44    49    67    70    71    74    77    81    82    52    42    45  
   38    39    40    44    70    77    81    42  
   36    37  
   37  
    0  
   39    40    41    43    47    72    44    49    70    77    81    52    42    45    46    56  
   40    41    43    44    77    42    45  
   41    43    47    48    60    69    72    73    44    49    50    51    62    70    77    81    52    53    54    55    42    45  
   43    47    72    44    49    77    52    42  
   45    46    56    57    58    59    43    44    77  
   47    48    60    61    65    69    72    73    44    49    77    52  
   49    50    51    62    63    64    67    70    71    74    77    81    82    52    53    54    55    47    72  
   46    56    57    58    59  
   56    57    58    59  
   48    60    61    65    66    69    72    73  
   60    61    65    72  
   50    51    62    63    64    67    68    70    99    77    81    52    53    54    55  
   51    62    63    64    67    77    52  
   62    63    64    67    77    52  
   53    54    55    62    70    77    81  
   54    55    77  
   55    77  
   77  
   57    58    59  
   58    59  
   59  
    0  
   61    65    66    69    72  
   65    66    69  
   63    64    67    68    70    71    74    83    96    99   100    77  
   64    67    68    70    99  
   67    68    70    99  
   66    69    72    73  
   69    72  
   68    70    71    74    75    76    78    83    84    91    96    97    98    99   100   101   102   103    87    77    81  
   70    71    74    83    96    99   100    77  
   72    73  
   71    74    75    76    78    79    80    83    96    99   100    77    81    82  
   74    75    76    78    99    77    81  
   73  
    0  
   75    76    78    79    80    83    84    99    87    77    81  
   76    78    79    80    83    77  
   78    79    80    83    77  
   81    82    78    99  
   79    80    83    84    85    86    89    96    99   100    87    88  
   80    83    84    99    87  
   83    84    99    87  
   82  
    0  
   84    85    86    89    90    91    96    97    98    99   100   101   102   103    94    87    88  
   85    86    89    90    91    92    93    96    99   100    94    95    87    88  
   86    89    90    91    99    94    87  
   89    90    91    99    94    87  
   88    89    96    99   100  
   99  
   90    91    92    93    96    97    98    99    94    95  
   91    92    93    96    94    95  
   92    93    96    97    98    99   100    94    95  
   93    96    97    98    99    94  
   96    97    98    99    94  
   95    96  
    0  
   97    98    99   100   101   102   103  
   98    99   100  
   99   100  
  100   101   102   103  
  101   102   103  
  102   103  
  103  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   95   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   96   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  100   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    77   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   317.000  1.510
   40    44   268.000  1.529
   43    47   380.000  1.444
   43    72   549.000  1.340
   47    48   340.000  1.080
   47    60   549.000  1.340
   60    61   340.000  1.080
   60    65   320.000  1.462
   65    66   570.000  1.229
   65    69   214.000  1.327
   69    72   440.000  1.360
   72    73   340.000  1.080
   44    49   268.000  1.529
   44    77   268.000  1.529
   44    52   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    70   268.000  1.529
   67    99   268.000  1.529
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    77   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    83   268.000  1.529
   83    84   268.000  1.529
   83    99   268.000  1.529
   83    87   320.000  1.410
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    89   268.000  1.529
   89    90   340.000  1.090
   89    91   268.000  1.529
   89    94   320.000  1.410
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    96   268.000  1.529
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   268.000  1.529
   99   100   268.000  1.529
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
   94    95   553.000  0.945
   87    88   553.000  0.945
   77    81   320.000  1.410
   81    82   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   42    45   214.000  1.327
   45    46   570.000  1.229
   45    56   317.000  1.522
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    77    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    77    44    58.35000  112.70000
   33    77    70    58.35000  112.70000
   33    77    81    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    70.00000  112.02700
   38    40    44    58.35000  112.70000
   38    42    45    83.00000  116.90000
   40    38    39    37.50000  110.70000
   40    43    47    70.00000  124.00000
   40    43    72    70.00000  124.00000
   40    44    49    58.35000  112.70000
   40    44    77    58.35000  112.70000
   40    44    52    58.35000  112.70000
   43    40    41    35.00000  109.50000
   43    47    48    35.00000  120.00000
   43    47    60    70.00000  123.01800
   43    72    69    80.00000  120.01400
   43    72    73    35.00000  120.00000
   47    60    61    35.00000  120.00000
   47    60    65    65.00000  118.96000
   60    47    48    35.00000  120.00000
   60    65    66    80.00000  123.72100
   60    65    69    90.00000  111.29400
   65    60    61    40.00000  117.72500
   65    69    72    90.00000  114.22900
   69    65    66    83.00000  123.40000
   69    72    73    55.00000  109.52600
   72    43    47    70.00000  123.01800
   44    40    41    37.50000  110.70000
   44    40    43    70.00000  112.02700
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    62    58.35000  112.70000
   44    77    70    58.35000  112.70000
   44    77    81    50.00000  109.50000
   44    52    53    37.50000  110.70000
   44    52    54    37.50000  110.70000
   44    52    55    37.50000  110.70000
   49    62    63    37.50000  110.70000
   49    62    64    37.50000  110.70000
   49    62    67    58.35000  112.70000
   51    49    50    33.00000  107.80000
   62    49    50    37.50000  110.70000
   62    49    51    37.50000  110.70000
   62    67    68    37.50000  110.70000
   62    67    70    58.35000  112.70000
   62    67    99    58.35000  112.70000
   64    62    63    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    64    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    74    58.35000  112.70000
   67    70    77    58.35000  112.70000
   67    99    83    58.35000  112.70000
   67    99    96    58.35000  112.70000
   67    99   100    58.35000  112.70000
   70    67    68    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    76    37.50000  110.70000
   70    74    78    58.35000  112.70000
   70    77    81    50.00000  109.50000
   74    70    71    37.50000  110.70000
   74    78    79    37.50000  110.70000
   74    78    80    37.50000  110.70000
   74    78    83    58.35000  112.70000
   76    74    75    33.00000  107.80000
   78    74    75    37.50000  110.70000
   78    74    76    37.50000  110.70000
   78    83    84    58.35000  112.70000
   78    83    99    58.35000  112.70000
   78    83    87    50.00000  109.50000
   80    78    79    33.00000  107.80000
   83    78    79    37.50000  110.70000
   83    78    80    37.50000  110.70000
   83    84    85    37.50000  110.70000
   83    84    86    37.50000  110.70000
   83    84    89    58.35000  112.70000
   83    99    96    58.35000  112.70000
   83    99   100    58.35000  112.70000
   83    87    88    55.00000  108.50000
   84    89    90    37.50000  110.70000
   84    89    91    58.35000  112.70000
   84    89    94    50.00000  109.50000
   86    84    85    33.00000  107.80000
   89    84    85    37.50000  110.70000
   89    84    86    37.50000  110.70000
   89    91    92    37.50000  110.70000
   89    91    93    37.50000  110.70000
   89    91    96    58.35000  112.70000
   89    94    95    55.00000  108.50000
   91    89    90    37.50000  110.70000
   91    96    97    37.50000  110.70000
   91    96    98    37.50000  110.70000
   91    96    99    58.35000  112.70000
   93    91    92    33.00000  107.80000
   96    91    92    37.50000  110.70000
   96    91    93    37.50000  110.70000
   96    99   100    58.35000  112.70000
   98    96    97    33.00000  107.80000
   99    67    68    37.50000  110.70000
   99    67    70    58.35000  112.70000
   99    83    84    58.35000  112.70000
   99    96    97    37.50000  110.70000
   99    96    98    37.50000  110.70000
   99   100   101    37.50000  110.70000
   99   100   102    37.50000  110.70000
   99   100   103    37.50000  110.70000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
   94    89    90    35.00000  109.50000
   94    89    91    50.00000  109.50000
   87    83    84    50.00000  109.50000
   87    83    99    50.00000  109.50000
   77    33    34    37.50000  110.70000
   77    33    38    58.35000  112.70000
   77    44    49    58.35000  112.70000
   77    70    71    37.50000  110.70000
   77    70    74    58.35000  112.70000
   77    81    82    55.00000  108.50000
   52    44    49    58.35000  112.70000
   52    44    77    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    45    46    83.00000  123.40000
   42    45    56    81.00000  111.40000
   45    56    57    35.00000  109.50000
   45    56    58    35.00000  109.50000
   45    56    59    35.00000  109.50000
   56    45    46    80.00000  120.40000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
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   92    91    96    97   0.15000  1.0 3.0
   92    91    96    98   0.15000  1.0 3.0
   92    91    96    99   0.15000  1.0 3.0
   93    91    96    97   0.15000  1.0 3.0
   93    91    96    98   0.15000  1.0 3.0
   93    91    96    99   0.15000  1.0 3.0
   96    99   100   101   0.15000  1.0 3.0
   96    99   100   102   0.15000  1.0 3.0
   96    99   100   103   0.15000  1.0 3.0
   97    96    99    67   0.15000  1.0 3.0
   97    96    99    83   0.15000  1.0 3.0
   97    96    99   100   0.15000  1.0 3.0
   98    96    99    67   0.15000  1.0 3.0
   98    96    99    83   0.15000  1.0 3.0
   98    96    99   100   0.15000  1.0 3.0
   99    67    70    71   0.15000  1.0 3.0
   99    67   -70    74   0.56750  1.0 1.0
   99    67   -70    74  -0.07550 -1.0 2.0
   99    67   -70    74   0.20000  1.0 3.0
   99    67    70    77   0.56750  1.0 1.0
   99    67    70    77  -0.07550 -1.0 2.0
   99    67    70    77   0.20000  1.0 3.0
   99    83    84    85   0.15000  1.0 3.0
   99    83    84    86   0.15000  1.0 3.0
   99    83   -84    89   0.56750  1.0 1.0
   99    83   -84    89  -0.07550 -1.0 2.0
   99    83   -84    89   0.20000  1.0 3.0
   99    83    87    88  -0.11600  1.0 1.0
   99    83    87    88  -0.09450 -1.0 2.0
   99    83    87    88   0.21250  1.0 3.0
   94    89    91    92   0.23400  1.0 3.0
   94    89    91    93   0.23400  1.0 3.0
   94    89    91    96   0.86500  1.0 1.0
   94    89    91    96  -0.17500 -1.0 2.0
   94    89    91    96   0.20800  1.0 3.0
   87    83    84    85   0.23400  1.0 3.0
   87    83    84    86   0.23400  1.0 3.0
   87    83    84    89   0.86500  1.0 1.0
   87    83    84    89  -0.17500 -1.0 2.0
   87    83    84    89   0.20800  1.0 3.0
   87    83    99    67   0.86500  1.0 1.0
   87    83    99    67  -0.17500 -1.0 2.0
   87    83    99    67   0.20800  1.0 3.0
   87    83    99    96   0.86500  1.0 1.0
   87    83    99    96  -0.17500 -1.0 2.0
   87    83    99    96   0.20800  1.0 3.0
   87    83    99   100   0.86500  1.0 1.0
   87    83    99   100  -0.17500 -1.0 2.0
   87    83    99   100   0.20800  1.0 3.0
   77    33    38    39   0.15000  1.0 3.0
   77    33   -38    40   0.56750  1.0 1.0
   77    33   -38    40  -0.07550 -1.0 2.0
   77    33   -38    40   0.20000  1.0 3.0
   77    33    38    42   0.62750  1.0 1.0
   77    33    38    42  -0.30950 -1.0 2.0
   77    33    38    42   0.27300  1.0 3.0
   77    44    49    50   0.15000  1.0 3.0
   77    44    49    51   0.15000  1.0 3.0
   77    44   -49    62   0.56750  1.0 1.0
   77    44   -49    62  -0.07550 -1.0 2.0
   77    44   -49    62   0.20000  1.0 3.0
   77    44    52    53   0.15000  1.0 3.0
   77    44    52    54   0.15000  1.0 3.0
   77    44    52    55   0.15000  1.0 3.0
   77    70    74    75   0.15000  1.0 3.0
   77    70    74    76   0.15000  1.0 3.0
   77    70    74    78   0.56750  1.0 1.0
   77    70    74    78  -0.07550 -1.0 2.0
   77    70    74    78   0.20000  1.0 3.0
   52    44    49    50   0.15000  1.0 3.0
   52    44    49    51   0.15000  1.0 3.0
   52    44    49    62   0.56750  1.0 1.0
   52    44    49    62  -0.07550 -1.0 2.0
   52    44    49    62   0.20000  1.0 3.0
   52    44    77    33   0.56750  1.0 1.0
   52    44    77    33  -0.07550 -1.0 2.0
   52    44    77    33   0.20000  1.0 3.0
   52    44    77    70   0.56750  1.0 1.0
   52    44    77    70  -0.07550 -1.0 2.0
   52    44    77    70   0.20000  1.0 3.0
   52    44    77    81   0.86500  1.0 1.0
   52    44    77    81  -0.17500 -1.0 2.0
   52    44    77    81   0.20800  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.61850  1.0 1.0
   42    38    40    43  -0.22750 -1.0 2.0
   42    38    40    43   0.15300  1.0 3.0
   42    38    40    44   0.62750  1.0 1.0
   42    38    40    44  -0.30950 -1.0 2.0
   42    38    40    44   0.27300  1.0 3.0
   42    45    56    57   0.00000  1.0 1.0
   42    45    56    58   0.00000  1.0 1.0
   42    45    56    59   0.00000  1.0 1.0
   46    45    56    57   0.00000  1.0 1.0
   46    45    56    58   0.00000  1.0 1.0
   46    45    56    59   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
   40    47    43    72   1.10000 -1.0 2.0
   43    48    47    60   1.10000 -1.0 2.0
   65    61    60    47   1.10000 -1.0 2.0
   60    69    65    66  10.50000 -1.0 2.0
   69    73    72    43   1.10000 -1.0 2.0
   42    56    45    46  10.50000 -1.0 2.0
END
