* LIGAND DATABASE FILE (OPLS2005)
*
001     106   110    203    335     612
    1     0 S   NP   _N1_     1    29.28359    98.56679   -23.86531
    2     1 S   H    _HN1     2     1.02956   139.54894  -157.31237
    3     1 S   H    _H1_     3     1.02974    82.80765   -48.61267
    4     1 S   H    _H2_     4     1.02785    33.95130   175.07972
    5     1 S   CT   _CA1     5     1.50223    99.42353    60.96531
    6     5 S   HC   _HA1     6     1.09545   105.47973    89.84670
    7     5 S   CO3  _C1_     7     1.53793   112.73404   -31.17355
    8     7 S   O2Z  _O11     8     1.26374   115.15475   -43.47844
    9     7 S   O2Z  _O12     9     1.26244   115.03112   136.40747
   10     5 S   CT   _CB1    10     1.52780   106.91791  -152.13297
   11    10 S   HC   HB11    11     1.09650   109.06636   -50.59908
   12    10 S   HC   HB12    12     1.09857   110.22333    65.57088
   13    10 S   CT   _CG1    13     1.52802   113.64913  -171.17991
   14    13 S   HC   HG11    14     1.09351   111.84488   -54.46800
   15    13 S   HC   HG12    15     1.09581   110.73386    65.11994
   16    13 S   C    _CD1    16     1.51336   109.04744  -173.73659
   17    16 S   O    _OE1    17     1.22881   121.49815    95.92396
   18    16 S   N    _N2_    18     1.38282   112.73825   -81.48786
   19    18 S   H    _HN2    19     1.01579   119.06820    -3.91722
   20    18 S   CT1  _CA2    20     1.46256   123.55196   173.99586
   21    20 S   HC   _HA2    21     1.09764   109.13975   -14.51824
   22    20 S   C    _C2_    22     1.53600   107.88340  -129.56161
   23    22 S   O    _O2_    23     1.22990   122.48047  -150.49855
   24    20 S   CT   _CB2    32     1.53529   111.66375   107.77841
   25    24 S   HC   HB21    33     1.09432   109.42326    54.46078
   26    24 S   HC   HB22    34     1.09341   109.91843   173.71843
   27    22 S   N    _N3_    24     1.38575   113.42412    36.92544
   28    27 S   H    _HN3    25     1.01560   119.26874    -1.69881
   29    24 S   S    _SG2    35     1.82707   110.39998   -66.95736
   30    27 S   CT   _CA3    26     1.45311   123.36116   177.85589
   31    30 S   HC   HA31    27     1.09544   107.25621   -71.06739
   32    30 S   HC   HA32    28     1.09560   108.19882    45.31996
   33    29 S   CT   _C22    36     1.88171   102.48374   166.75340
   34    30 S   CO3  _C3_    29     1.53078   114.36657   167.60287
   35    34 S   O2Z  _O31    30     1.26390   116.34376     0.64801
   36    34 S   O2Z  _O32    31     1.26431   114.35507  -179.24463
   37    33 S   CM   _C13    37     1.55187   107.02226    72.93276
   38    33 S   CT   _C21    66     1.57681   112.52178  -163.73583
   39    33 S   OH   _O34   105     1.43503   107.65665   -48.52346
   40    39 S   HO   _H14   106     0.97217   106.48825   -39.96525
   41    37 S   CMA  _C12    38     1.37134   124.91232   -98.35616
   42    41 S   OM   _O38    39     1.26794   127.33098    -1.53633
   43    38 S   OH   _O35    67     1.44573   107.97251   159.66982
   44    43 S   HO   _H15    68     0.97428   106.93585   -45.13669
   45    41 S   CA   _C11    40     1.53247   114.58554   175.84517
   46    45 S   CA   _C6_    41     1.42159   120.58716   -26.24403
   47    46 S   CA   _C7_    42     1.41041   119.49681  -173.51705
   48    47 S   HA   _H9_    43     1.08555   121.41073   178.22646
   49    46 S   CT   _C5_    51     1.53011   119.19860     8.22130
   50    47 S   CA   _C8_    44     1.39274   121.46899    -2.57291
   51    50 S   HA   _H10    45     1.08597   120.07972  -179.28756
   52    37 S   CT   _C14    52     1.53901   115.12012    79.98916
   53    52 S   HC   _H3_    53     1.10371   105.54545   112.13823
   54    49 S   CT   _C4_    99     1.53875   113.97251   156.59935
   55    54 S   HC   _H6_   100     1.09539   111.53833   178.32649
   56    54 S   HC   _H7_   101     1.09599   111.57662    62.65489
   57    54 S   HC   _H8_   102     1.09501   111.95507   -59.44555
   58    49 S   OH   _O40   103     1.43194   110.06583   -85.17791
   59    58 S   HO   _H35   104     0.97248   108.41312    32.42800
   60    50 S   CA   _C9_    46     1.38481   119.75698     0.04846
   61    60 S   HA   _H11    47     1.08636   119.88290  -179.24075
   62    52 S   CT   _C15    54     1.54458   113.89890    -1.77100
   63    62 S   HC   _H12    55     1.09664   109.21771   170.54462
   64    62 S   HC   _H13    56     1.09287   112.14437   -72.36420
   65    45 S   CA   _C10    48     1.41933   122.07419   157.04547
   66    62 S   CT   _C16    57     1.53860   109.43765    53.53352
   67    66 S   HC   _H4_    58     1.09713   103.15825    57.51176
   68    65 S   OH   _O39    49     1.37394   123.01270    -5.36746
   69    68 S   HO   _H34    50     0.97553   107.24754     6.66965
   70    66 S   CT   _C17    59     1.56333   112.56572   172.74558
   71    70 S   HC   _H5_    60     1.10236   106.69138   -44.51118
   72    70 S   CMA  _C18    61     1.55561   107.67695    74.39089
   73    72 S   OM   _O37    62     1.26607   111.07261  -126.91667
   74    70 S   NT   _N6_    90     1.50633   113.26951  -161.83414
   75    72 S   CM   _C19    63     1.35806   117.29870    54.21901
   76    74 S   CT   _C29    91     1.47096   111.78772   179.44645
   77    76 S   HC   _H28    92     1.09665   110.63159  -177.96087
   78    76 S   HC   _H29    93     1.09435   111.70740    65.35264
   79    76 S   HC   _H30    94     1.09598   112.06338   -57.29460
   80    74 S   CT   _C30    95     1.46832   112.56605    57.72319
   81    80 S   HC   _H31    96     1.09682   110.82594   173.55311
   82    80 S   HC   _H32    97     1.09573   112.08095    52.85375
   83    80 S   HC   _H33    98     1.09301   111.79634   -69.99773
   84    75 S   CO4  _C20    64     1.50241   116.21564    -8.49410
   85    84 S   O    _O33    65     1.23139   120.18286   144.91348
   86    75 S   C    _C23    69     1.50906   125.25308   175.02271
   87    86 S   O    _O36    70     1.22985   120.53878   165.32276
   88    86 S   N    _N4_    71     1.37772   115.79495   -14.95560
   89    88 S   H    _H16    72     1.01725   118.57704     0.75950
   90    88 S   CT   _C24    73     1.44032   123.23384   176.54566
   91    90 S   HC   _H17    74     1.09413   109.54356   151.61108
   92    90 S   HC   _H18    75     1.09443   110.44886    29.36521
   93    90 S   NP   _N5_    76     1.49770   109.91115   -89.20845
   94    93 S   H    _H19    77     1.03115   106.24484    55.93104
   95    93 S   CT   _C25    78     1.51393   114.87535   -61.65150
   96    95 S   HC   _H20    79     1.09334   108.67684    88.69026
   97    95 S   HC   _H21    80     1.09535   108.17823   -31.81921
   98    95 S   CT   _C26    81     1.51379   103.44916  -150.20745
   99    98 S   HC   _H22    82     1.09651   110.50031   -78.86395
  100    98 S   HC   _H23    83     1.09346   112.33304   160.05021
  101    98 S   CT   _C27    84     1.51501   102.58467    38.91244
  102   101 S   HC   _H24    85     1.09668   110.20683    76.15877
  103   101 S   HC   _H25    86     1.09370   112.63186  -163.25505
  104    93 S   CT   _C28    87     1.51749   114.21707   173.50233
  105   104 S   HC   _H26    88     1.09390   110.05264     3.28515
  106   104 S   HC   _H27    89     1.09381   106.56727  -116.36933
  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  15   6  10   4   9   7   7   3   2   1   3
   2   1   1   4   1   7   3   8   4  12   5   4  13   8  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    84    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    75    84    85    38    43    44    39    40  
   35    36  
   36  
    0  
   41    42    45    46    65    49    52    53    62    63    64    66    84    38    43    54    58    39    40  
   43    44    86    74    39    40    41    52    62    63    64    66    67    70    71    72    75    84    85  
   40    41    43    52    66    84  
    0  
   42    45    46    47    60    65    68    49    52    53    62  
   45    46    65    52  
   44    62    66    67    70    75    84    85  
   66    84  
   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    84    74  
   64    66    67    70  
   66    67    70  
   68    69  
   67    70    71    72    73    75    84    85    74    76    80  
   70    71    72    84    74  
   69  
    0  
   71    72    73    75    84    86    74    76    77    78    79    80    81    82    83  
   72    73    75    74    76    80  
   73    75    84    85    86    87    88    74    76    80  
   75    84    86    74  
   76    77    78    79    80    81    82    83    75  
   84    85    86    87    88    89    90  
   77    78    79    80    81    82    83  
   78    79    80  
   79    80  
   80  
   81    82    83  
   82    83  
   83  
    0  
   85    86    87    88  
   86  
   87    88    89    90    91    92    93  
   88    89    90  
   89    90    91    92    93    94    95   104  
   90    91    92    93  
   91    92    93    94    95    96    97    98   101   104   105   106  
   92    93    94    95   104  
   93    94    95   104  
   94    95    96    97    98    99   100   101   102   103   104   105   106  
   95    96    97    98   101   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   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   73   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   74   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   75   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   86   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   88   3.2500   0.1700  -0.422500   1.8100   1.6000   0.054801302  -1.445846770
   89   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   90   3.5000   0.0660   0.272500   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   94   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   95   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.6450   1.4500   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   1.6450   1.4500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.6450   1.4500   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   1.6450   1.4500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  104   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.6450   1.4500   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   270.000  1.512
   70    74   382.000  1.448
   72    73   745.000  1.250
   72    75   465.000  1.376
   75    84   320.000  1.462
   75    86   410.000  1.444
   84    85   570.000  1.229
   84    38   317.000  1.522
   38    43   320.000  1.410
   43    44   553.000  0.945
   86    87   570.000  1.229
   86    88   490.000  1.335
   88    89   434.000  1.010
   88    90   337.000  1.449
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   367.000  1.471
   93    94   434.000  1.010
   93    95   367.000  1.471
   93   104   367.000  1.471
   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
   74    76   382.000  1.448
   74    80   382.000  1.448
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   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    84    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    74    56.20000  109.47000
   66    38    84    63.00000  111.10000
   66    38    43    50.00000  109.50000
   70    66    67    37.50000  110.70000
   70    72    73    85.00000  112.85300
   70    72    75    65.00000  122.18000
   70    74    76    51.80000  107.20000
   70    74    80    51.80000  107.20000
   72    70    71    45.00000  110.52000
   72    75    84    60.00000  125.92000
   72    75    86    60.00000  120.04000
   75    72    73    65.00000  137.10300
   75    84    85    80.00000  123.72100
   75    84    38    65.00000  118.62400
   75    86    87    80.00000  125.30000
   75    86    88    80.00000  111.56200
   84    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    84    85    80.00000  120.40000
   38    43    44    55.00000  108.50000
   86    75    84    55.00000  123.68000
   86    88    89    35.00000  119.80000
   86    88    90    50.00000  121.90000
   88    86    87    80.00000  122.90000
   88    90    91    35.00000  109.50000
   88    90    92    35.00000  109.50000
   88    90    93    80.00000  116.76000
   90    88    89    38.00000  118.40000
   90    93    94    35.00000  109.50000
   90    93    95    75.00000  113.01200
   90    93   104    75.00000  113.01200
   92    90    91    33.00000  107.80000
   93    90    91    35.00000  109.50000
   93    90    92    35.00000  109.50000
   93    95    96    35.00000  109.50000
   93    95    97    35.00000  109.50000
   93    95    98    80.00000  111.20000
   93   104   101    80.00000  111.20000
   93   104   105    35.00000  109.50000
   93   104   106    35.00000  109.50000
   95    93    94    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    93    94    35.00000  109.50000
  104    93    95    75.00000  113.01200
  104   101   102    37.50000  110.70000
  104   101   103    37.50000  110.70000
  106   104   105    33.00000  107.80000
   74    70    71    35.00000  109.50000
   74    70    72    75.00000  110.70900
   74    76    77    35.00000  109.50000
   74    76    78    35.00000  109.50000
   74    76    79    35.00000  109.50000
   74    80    81    35.00000  109.50000
   74    80    82    35.00000  109.50000
   74    80    83    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    74    76    51.80000  107.20000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    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
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   74    70    72    75  -0.62100  1.0 3.0
   76    74    80    81   0.28000  1.0 3.0
   76    74    80    82   0.28000  1.0 3.0
   76    74    80    83   0.28000  1.0 3.0
   80    74    76    77   0.28000  1.0 3.0
   80    74    76    78   0.28000  1.0 3.0
   80    74    76    79   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    84  -0.09450  1.0 1.0
   39    33    38    84  -1.12950 -1.0 2.0
   39    33    38    84   0.54000  1.0 3.0
   39    33    38    43   3.75450  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
   35    30    34    36  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    73    72    75   1.10000 -1.0 2.0
   84    86    75    72   1.10000 -1.0 2.0
   75    38    84    85  10.50000 -1.0 2.0
   75    88    86    87  10.50000 -1.0 2.0
   89    86    88    90   1.00000 -1.0 2.0
END
