* LIGAND DATABASE FILE (OPLS2005)
*
001     106   110    201    328     603
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02069    96.60267    28.37566
    3     1 S   H    _H1_     3     1.02095    34.64740   142.01019
    4     1 S   H    _H2_     4     1.02144    83.00518   -79.72610
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08491   110.56590    58.77998
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C25    36     1.85878    97.46957  -178.13722
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C12    37     1.55568   109.36435   -60.01216
   38    33 S   CT   _C26    65     1.57393   112.81307   179.54030
   39    33 S   OH   _O39   105     1.42955   105.52259    62.39135
   40    39 S   HO   _H71   106     0.96753   106.11384   -59.75747
   41    37 S   CMA  _C10    38     1.36991   124.47167   121.60249
   42    41 S   OM   _O33    39     1.26891   127.18176   -12.65184
   43    38 S   OH   _O40    66     1.43132   107.48620   -55.44599
   44    43 S   HO   _H72    67     0.96606   105.85220    60.39543
   45    41 S   CA   _C7_    40     1.52510   114.38928   162.42374
   46    45 S   CA   _C8_    41     1.40839   122.58148    21.62292
   47    46 S   CA   _C5_    42     1.40961   120.10425   178.80155
   48    47 S   HA   _H41    43     1.08727   120.58443  -177.97706
   49    46 S   CT   _C24    51     1.51139   119.44722     2.03317
   50    47 S   CA   _C4_    44     1.39097   121.19035     1.71441
   51    50 S   HA   _H40    45     1.08550   120.25988   179.51624
   52    37 S   CT   _C21    52     1.53236   111.64640   -64.11263
   53    52 S   HC   _H53    53     1.10871   107.49829    51.23112
   54    49 S   CT   _C27    99     1.54098   108.34512    88.46129
   55    54 S   HC   _H56   100     1.08444   109.17939   179.94065
   56    54 S   HC   _H57   101     1.08495   109.10343    60.03236
   57    54 S   HC   _H58   102     1.08324   109.17198   -59.98486
   58    49 S   OH   _O38   103     1.43174   112.32027  -154.91009
   59    58 S   HO   _H70   104     0.96800   106.21538   180.00000
   60    50 S   CA   _C6_    46     1.38655   119.48055    -0.51889
   61    60 S   HA   _H42    47     1.08621   119.55990   179.33559
   62    52 S   CT   _C18    54     1.53887   108.25697   -63.27307
   63    62 S   HC   _H47    55     1.08615   108.98138   179.19473
   64    62 S   HC   _H48    56     1.08318   109.75151   -63.02879
   65    45 S   CA   _C9_    48     1.41548   120.07314  -157.67457
   66    62 S   CT   _C23    57     1.55698   110.52762    60.47945
   67    66 S   HC   _H55    58     1.09024   106.00998    61.00507
   68    65 S   OH   _O36    49     1.37033   123.03566     2.37092
   69    68 S   HO   _H68    50     0.96762   109.83935    -1.90032
   70    66 S   CT   _C22    59     1.54638   110.23767   177.35085
   71    70 S   HC   _H54    60     1.12882   108.07359   -35.43572
   72    70 S   CM   _C13    61     1.51000   113.47554    81.95423
   73    70 S   NT   _N30    90     1.47012   111.92906  -152.01255
   74    72 S   CM   _C11    62     1.34715   124.10729    13.99783
   75    72 S   OH   _O37    88     1.38551   111.60539  -164.07871
   76    75 S   HO   _H69    89     0.95918   109.36722    -1.93866
   77    73 S   CT   _C28    91     1.45824   109.92473  -167.61078
   78    77 S   HC   _H59    92     1.09386   110.02942   179.98022
   79    77 S   HC   _H60    93     1.09267   110.23557    60.00083
   80    77 S   HC   _H61    94     1.09306   110.21791   -60.06018
   81    73 S   CT   _C29    95     1.45761   109.96299    69.86879
   82    81 S   HC   _H62    96     1.09355   110.06823   179.97202
   83    81 S   HC   _H63    97     1.09323   110.22259    60.03958
   84    81 S   HC   _H64    98     1.09302   110.25820   -60.04603
   85    74 S   CO4  _C14    63     1.50400   120.03236     3.72384
   86    85 S   O    _O34    64     1.23162   118.37876  -174.23646
   87    74 S   C    _C15    68     1.47574   120.96701  -175.77590
   88    87 S   O    _O35    69     1.22680   120.88472   -60.05490
   89    87 S   N    _N29    70     1.38153   112.78024   120.01484
   90    89 S   H    _H67    71     1.01591   118.97533    -0.07662
   91    89 S   CT   _C30    72     1.44531   122.08663   179.95154
   92    91 S   HC   _H65    73     1.09421   108.37270   -59.97409
   93    91 S   HC   _H66    74     1.09496   108.68242    57.98719
   94    91 S   NT   _N28    75     1.46722   108.83401   179.33442
   95    94 S   CT   _C19    76     1.46420   110.79750  -164.80762
   96    95 S   HC   _H49    77     1.09395   112.16244    77.77710
   97    95 S   HC   _H50    78     1.09729   111.67140   -44.41453
   98    95 S   CT   _C16    79     1.52065   102.91579  -162.06394
   99    98 S   HC   _H43    80     1.09677   110.77557   -93.13234
  100    98 S   HC   _H44    81     1.09439   111.55559   146.70578
  101    98 S   CT   _C17    82     1.52602   105.17514    25.32672
  102   101 S   HC   _H45    83     1.09474   111.76901   120.90083
  103   101 S   HC   _H46    84     1.09663   109.80458  -119.42028
  104    94 S   CT   _C20    85     1.46333   110.79608    79.16548
  105   104 S   HC   _H51    86     1.09684   111.67557    44.34427
  106   104 S   HC   _H52    87     1.09434   112.19210   -77.95946
  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
  19   2   1   1  19  19   6   1  11   4   8   2  13  17  10   4
  14   5   3  13   6   6   3   2   1   2   1   4   2   9   4   3
   2  11   5   1   1  16   6  11  10   9   3   1   7   3   2   1
   3   2   1   1   4   1   7   3   7   4  11   4   3  12  11   6
   5   8   5   4   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    52    66    85    38    43    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    45    49    52    53    62    66    67    70    74    85    86    38    43    44    39    40  
   35    36  
   36  
    0  
   41    42    45    46    65    49    52    53    62    63    64    66    85    38    43    54    58    39    40  
   43    44    87    73    39    40    41    52    62    63    64    66    67    70    71    72    74    85    86  
   40    41    43    52    66    85  
    0  
   42    45    46    47    60    65    68    49    52    53    62  
   45    46    65    52  
   44    62    66    67    70    74    85    86  
   66    85  
   46    47    48    50    60    61    65    68    69    49    52    54    58  
   47    48    50    51    60    65    68    49    52    53    62    54    55    56    57    58    59  
   48    50    51    60    61    65    49    52    54    58  
   50    51    60    49  
   52    53    62    63    64    66    54    55    56    57    58    59    50    65  
   51    60    61    65    68  
   60    61    65  
   53    62    63    64    66    67    70    54    55    56    57    58    59  
   62    63    64    66    54    58  
   55    56    57    58    59    62  
   56    57    58  
   57    58  
   58  
   59    62  
    0  
   61    65    68    69  
   65    68  
   63    64    66    67    70    71    72    85    73  
   64    66    67    70  
   66    67    70  
   68    69  
   67    70    71    72    74    85    86    75    73    77    81  
   70    71    72    85    73  
   69  
    0  
   71    72    74    85    87    75    76    73    77    78    79    80    81    82    83    84  
   72    74    75    73    77    81  
   74    85    86    87    88    89    75    76    73    77    81  
   77    78    79    80    81    82    83    84    74    75  
   85    86    87    88    89    90    91    75    76  
   76    85    87  
    0  
   78    79    80    81    82    83    84  
   79    80    81  
   80    81  
   81  
   82    83    84  
   83    84  
   84  
    0  
   86    87    88    89  
   87  
   88    89    90    91    92    93    94  
   89    90    91  
   90    91    92    93    94    95   104  
   91    92    93    94  
   92    93    94    95    96    97    98   101   104   105   106  
   93    94    95   104  
   94    95   104  
   95    96    97    98    99   100   101   102   103   104   105   106  
   96    97    98    99   100   101   102   103   104   105   106  
   97    98    99   100   101   104  
   98    99   100   101   104  
   99   100   101   102   103   104   105   106  
  100   101   102   103   104  
  101   102   103   104  
  102   103   104   105   106  
  103   104   105   106  
  104   105   106  
  105   106  
  106  
    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   0.432500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5000   0.0660   0.380000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   73   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   74   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
   75   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   87   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   89   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   90   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   91   3.5000   0.0660   0.290000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   95   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  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
  104   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    38   268.000  1.529
   33    39   320.000  1.410
   37    41   465.000  1.376
   37    52   317.000  1.510
   41    42   745.000  1.250
   41    45   320.000  1.460
   45    46   469.000  1.400
   45    65   469.000  1.400
   46    47   469.000  1.400
   46    49   317.000  1.510
   47    48   367.000  1.080
   47    50   469.000  1.400
   50    51   367.000  1.080
   50    60   469.000  1.400
   60    61   367.000  1.080
   60    65   469.000  1.400
   65    68   450.000  1.364
   68    69   553.000  0.945
   49    52   268.000  1.529
   49    54   268.000  1.529
   49    58   320.000  1.410
   52    53   340.000  1.090
   52    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    66   268.000  1.529
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    38   268.000  1.529
   70    71   340.000  1.090
   70    72   317.000  1.510
   70    73   382.000  1.448
   72    74   549.000  1.340
   72    75   510.000  1.338
   74    85   320.000  1.462
   74    87   410.000  1.444
   85    86   570.000  1.229
   85    38   317.000  1.522
   38    43   320.000  1.410
   43    44   553.000  0.945
   87    88   570.000  1.229
   87    89   490.000  1.335
   89    90   434.000  1.010
   89    91   337.000  1.449
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   382.000  1.448
   94    95   382.000  1.448
   94   104   382.000  1.448
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   268.000  1.529
  104   105   340.000  1.090
  104   106   340.000  1.090
   75    76   553.000  0.945
   73    77   382.000  1.448
   73    81   382.000  1.448
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   553.000  0.945
   39    40   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  112.20000
   29    33    38    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    41    70.00000  124.00000
   33    37    52    65.00000  117.92700
   33    38    66    58.35000  112.70000
   33    38    85    63.00000  111.10000
   33    38    43    50.00000  109.50000
   33    39    40    55.00000  108.50000
   37    41    42    65.00000  137.10300
   37    41    45    60.00000  123.20500
   37    52    49    70.00000  112.02700
   37    52    53    35.00000  109.50000
   37    52    62    70.00000  112.02700
   41    45    46    60.00000  120.93500
   41    45    65    60.00000  120.93500
   45    41    42    85.00000  114.86500
   45    46    47    63.00000  120.00000
   45    46    49    70.00000  120.00000
   45    65    60    63.00000  120.00000
   45    65    68    70.00000  120.00000
   46    47    48    35.00000  120.00000
   46    47    50    63.00000  120.00000
   46    49    52    70.00000  112.17500
   46    49    54    70.00000  112.17500
   46    49    58    90.00000  112.51600
   47    50    51    35.00000  120.00000
   47    50    60    63.00000  120.00000
   50    47    48    35.00000  120.00000
   50    60    61    35.00000  120.00000
   50    60    65    63.00000  120.00000
   60    50    51    35.00000  120.00000
   60    65    68    70.00000  120.00000
   65    45    46    63.00000  120.00000
   65    60    61    35.00000  120.00000
   65    68    69    35.00000  113.00000
   49    46    47    70.00000  120.00000
   49    52    53    37.50000  110.70000
   49    52    62    58.35000  112.70000
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    57    37.50000  110.70000
   49    58    59    55.00000  108.50000
   52    37    41    70.00000  124.00000
   52    62    63    37.50000  110.70000
   52    62    64    37.50000  110.70000
   52    62    66    58.35000  112.70000
   62    52    53    37.50000  110.70000
   62    66    67    37.50000  110.70000
   62    66    70    58.35000  112.70000
   62    66    38    58.35000  112.70000
   64    62    63    33.00000  107.80000
   66    62    63    37.50000  110.70000
   66    62    64    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    72    70.00000  112.02700
   66    70    73    56.20000  109.47000
   66    38    85    63.00000  111.10000
   66    38    43    50.00000  109.50000
   70    66    67    37.50000  110.70000
   70    72    74    70.00000  124.00000
   70    72    75    90.00000  109.34000
   70    73    77    51.80000  107.20000
   70    73    81    51.80000  107.20000
   72    70    71    35.00000  109.50000
   72    74    85    65.00000  118.96000
   72    74    87    70.00000  118.70000
   72    75    76    70.00000  107.45700
   74    85    86    80.00000  123.72100
   74    85    38    65.00000  118.62400
   74    87    88    80.00000  125.30000
   74    87    89    80.00000  111.56200
   85    38    43    90.00000  109.61100
   38    33    37    70.00000  112.02700
   38    66    67    37.50000  110.70000
   38    66    70    58.35000  112.70000
   38    85    86    80.00000  120.40000
   38    43    44    55.00000  108.50000
   87    74    85    55.00000  123.68000
   87    89    90    35.00000  119.80000
   87    89    91    50.00000  121.90000
   89    87    88    80.00000  122.90000
   89    91    92    35.00000  109.50000
   89    91    93    35.00000  109.50000
   89    91    94    80.00000  116.76000
   91    89    90    38.00000  118.40000
   91    94    95    51.80000  107.20000
   91    94   104    51.80000  107.20000
   93    91    92    33.00000  107.80000
   94    91    92    35.00000  109.50000
   94    91    93    35.00000  109.50000
   94    95    96    35.00000  109.50000
   94    95    97    35.00000  109.50000
   94    95    98    56.20000  109.47000
   94   104   101    56.20000  109.47000
   94   104   105    35.00000  109.50000
   94   104   106    35.00000  109.50000
   95    98    99    37.50000  110.70000
   95    98   100    37.50000  110.70000
   95    98   101    58.35000  112.70000
   97    95    96    33.00000  107.80000
   98    95    96    37.50000  110.70000
   98    95    97    37.50000  110.70000
   98   101   102    37.50000  110.70000
   98   101   103    37.50000  110.70000
   98   101   104    58.35000  112.70000
  100    98    99    33.00000  107.80000
  101    98    99    37.50000  110.70000
  101    98   100    37.50000  110.70000
  101   104   105    37.50000  110.70000
  101   104   106    37.50000  110.70000
  103   101   102    33.00000  107.80000
  104    94    95    51.80000  107.20000
  104   101   102    37.50000  110.70000
  104   101   103    37.50000  110.70000
  106   104   105    33.00000  107.80000
   75    72    74    80.00000  121.38400
   73    70    71    35.00000  109.50000
   73    70    72    75.00000  110.70900
   73    77    78    35.00000  109.50000
   73    77    79    35.00000  109.50000
   73    77    80    35.00000  109.50000
   73    81    82    35.00000  109.50000
   73    81    83    35.00000  109.50000
   73    81    84    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    73    77    51.80000  107.20000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   54    49    52    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    49    52    50.00000  109.50000
   58    49    54    50.00000  109.50000
   39    33    37    90.00000  110.39200
   39    33    38    50.00000  109.50000
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
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   75    72    74    87   7.00000 -1.0 2.0
   73    70    72    74   0.90200  1.0 1.0
   73    70    72    74   0.57900 -1.0 2.0
   73    70    72    74  -0.62100  1.0 3.0
   73    70    72    75   0.09700  1.0 1.0
   73    70    72    75   0.15600 -1.0 2.0
   73    70    72    75  -0.50800  1.0 3.0
   77    73    81    82   0.28000  1.0 3.0
   77    73    81    83   0.28000  1.0 3.0
   77    73    81    84   0.28000  1.0 3.0
   81    73    77    78   0.28000  1.0 3.0
   81    73    77    79   0.28000  1.0 3.0
   81    73    77    80   0.28000  1.0 3.0
   54    49    52    37   0.34400  1.0 1.0
   54    49    52    37   0.09450 -1.0 2.0
   54    49    52    37   0.11100  1.0 3.0
   54    49    52    53   0.15000  1.0 3.0
   54    49    52    62   0.56750  1.0 1.0
   54    49    52    62  -0.07550 -1.0 2.0
   54    49    52    62   0.20000  1.0 3.0
   54    49    58    59  -0.11600  1.0 1.0
   54    49    58    59  -0.09450 -1.0 2.0
   54    49    58    59   0.21250  1.0 3.0
   58    49    52    37   1.05650  1.0 1.0
   58    49    52    37   0.15600 -1.0 2.0
   58    49    52    37   0.53150  1.0 3.0
   58    49    52    53   0.23400  1.0 3.0
   58    49    52    62   0.86500  1.0 1.0
   58    49    52    62  -0.17500 -1.0 2.0
   58    49    52    62   0.20800  1.0 3.0
   58    49    54    55   0.23400  1.0 3.0
   58    49    54    56   0.23400  1.0 3.0
   58    49    54    57   0.23400  1.0 3.0
   39    33    37    41   0.67800  1.0 1.0
   39    33    37    41   0.47050 -1.0 2.0
   39    33    37    41  -0.62500  1.0 3.0
   39    33    37    52   0.18000  1.0 1.0
   39    33    37    52   0.16450 -1.0 2.0
   39    33    37    52   0.04450  1.0 3.0
   39    33    38    66   0.86500  1.0 1.0
   39    33    38    66  -0.17500 -1.0 2.0
   39    33    38    66   0.20800  1.0 3.0
   39    33    38    85  -0.09450  1.0 1.0
   39    33    38    85  -1.12950 -1.0 2.0
   39    33    38    85   0.54000  1.0 3.0
   39    33    38    43   3.75450  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    52    37    41   1.10000 -1.0 2.0
   45    42    41    37   1.10000 -1.0 2.0
   46    65    45    41   4.00000 -1.0 2.0
   47    49    46    45   4.00000 -1.0 2.0
   50    48    47    46   1.10000 -1.0 2.0
   60    51    50    47   1.10000 -1.0 2.0
   65    61    60    50   1.10000 -1.0 2.0
   60    68    65    45   4.00000 -1.0 2.0
   70    75    72    74   1.10000 -1.0 2.0
   85    87    74    72   1.10000 -1.0 2.0
   74    38    85    86  10.50000 -1.0 2.0
   74    89    87    88  10.50000 -1.0 2.0
   90    87    89    91   1.00000 -1.0 2.0
END
