* LIGAND DATABASE FILE (OPLS2005)
*
001     114   117    230    371     696
    1     0 S   NP   _N1_     1    28.64584    96.74772   -24.53780
    2     1 S   H    _HN1     2     1.02826    34.90889   170.39753
    3     1 S   H    _H1_     3     1.02791   114.15919  -102.71283
    4     1 S   H    _H2_     4     1.02947    72.63807     0.11014
    5     1 S   CT   _CA1     5     1.50135   129.42371   102.55798
    6     5 S   HC   _HA1     6     1.09575   105.14219    93.79407
    7     5 S   CO3  _C1_     7     1.53766   112.50497   -26.35090
    8     7 S   O2Z  _O11     8     1.26375   114.99605   -41.28208
    9     7 S   O2Z  _O12     9     1.26241   114.94487   137.69524
   10     5 S   CT   _CB1    10     1.53061   107.39757  -148.25996
   11    10 S   HC   HB11    11     1.09839   109.27566   -49.49069
   12    10 S   HC   HB12    12     1.09809   110.49157    67.09793
   13    10 S   CT   _CG1    13     1.53007   112.65369  -170.44893
   14    13 S   HC   HG11    14     1.09577   110.71418   -68.13407
   15    13 S   HC   HG12    15     1.09674   109.70585    51.10206
   16    13 S   C    _CD1    16     1.51818   112.05876   171.52808
   17    16 S   O    _OE1    17     1.22743   123.22292    11.51363
   18    16 S   N    _N2_    18     1.38622   111.74526  -168.40568
   19    18 S   H    _HN2    19     1.01561   118.91229     1.24207
   20    18 S   CT1  _CA2    20     1.46192   123.47785   176.60973
   21    20 S   HC   _HA2    21     1.09738   109.35401     6.34792
   22    20 S   C    _C2_    22     1.53673   108.55484  -109.08967
   23    22 S   O    _O2_    23     1.23073   122.31038  -147.59114
   24    20 S   CT   _CB2    32     1.53466   111.65559   128.53047
   25    24 S   HC   HB21    33     1.09403   109.81289    56.61205
   26    24 S   HC   HB22    34     1.09459   109.37615   175.35734
   27    22 S   N    _N3_    24     1.38333   113.78397    39.83229
   28    27 S   H    _HN3    25     1.01554   119.59000    -3.03828
   29    24 S   S    _SG2    35     1.83003   111.22961   -65.74852
   30    27 S   CT   _CA3    26     1.45281   123.29536   177.29868
   31    30 S   HC   HA31    27     1.09546   107.48887   -65.40843
   32    30 S   HC   HA32    28     1.09555   108.02606    51.05649
   33    29 S   CT   _C8_    36     1.91969   102.79611   163.49493
   34    30 S   CO3  _C3_    29     1.52979   114.03259   173.06936
   35    34 S   O2Z  _O31    30     1.26385   116.07359    -0.68214
   36    34 S   O2Z  _O32    31     1.26426   114.41589   179.38198
   37    33 S   CT   _C7_    37     1.58133   103.92826    53.80330
   38    37 S   HC   _H15    38     1.09462   108.82646    49.29100
   39    37 S   HC   _H16    39     1.09686   109.19677   -65.43453
   40    33 S   CT   _C11    98     1.60002   111.01552   -64.15989
   41    40 S   HC   _H20    99     1.09871   107.03025    84.43555
   42    33 S   CT   _C9_   108     1.60896   108.87283   171.33009
   43    42 S   OM   _O33   109     1.32623   110.96213    58.35644
   44    42 S   HC   _H4_   110     1.09791   105.49440  -173.68596
   45    37 S   CT   _C6_    40     1.53910   118.08379   174.46689
   46    45 S   HC   _H13    41     1.09396   111.48905   -51.61732
   47    45 S   HC   _H14    42     1.09107   107.00066    65.65314
   48    40 S   CT   _C12   100     1.54250   116.40481   -33.41714
   49    48 S   HC   _H21   101     1.09319   112.29072   -57.62645
   50    48 S   HC   _H22   102     1.09668   110.36550  -177.12064
   51    48 S   HC   _H23   103     1.09191   112.37209    65.05610
   52    40 S   CT   _C13   104     1.54219   114.63881  -158.32763
   53    52 S   HC   _H24   105     1.09490   111.73085    75.26712
   54    52 S   HC   _H25   106     1.09644   110.02470  -166.14360
   55    52 S   HC   _H26   107     1.08960   113.35293   -46.61226
   56    42 S   CT   _C10   111     1.54955   114.03530   -60.96702
   57    56 S   HC   _H17   112     1.09632   113.38110    60.90153
   58    56 S   HC   _H18   113     1.09431   111.32950   -60.66422
   59    56 S   HC   _H19   114     1.09885   110.98968  -178.57042
   60    45 S   CT   _C5_    43     1.55723   113.26872  -174.58771
   61    60 S   HC   _H3_    44     1.09730   107.81084   -43.78143
   62    60 S   CT   _C14    45     1.55896   110.48694  -162.42376
   63    62 S   HC   _H5_    46     1.10088   107.08274   -57.02515
   64    60 S   CT   _C4_    94     1.53339   109.70915    73.77750
   65    64 S   HC   _H10    95     1.09509   111.16880    71.70867
   66    64 S   HC   _H11    96     1.09175   111.27406  -167.08833
   67    64 S   HC   _H12    97     1.09277   112.32419   -48.90468
   68    62 S   CT   _C15    47     1.55951   112.00398    59.99411
   69    68 S   HC   _H27    48     1.09602   112.02029    28.74647
   70    68 S   HC   _H28    49     1.09602   110.17374   -90.92041
   71    68 S   CT   _C16    50     1.53332   107.39380   149.04468
   72    71 S   HC   _H29    51     1.09479   111.29732   130.62406
   73    71 S   HC   _H30    52     1.09573   110.52165  -109.96939
   74    71 S   CT   _C17    53     1.51995   103.76366     9.77383
   75    74 S   HC   _H6_    54     1.10340   106.04286    77.77897
   76    74 S   CT   _C22    55     1.53359   117.83377  -163.17077
   77    76 S   HC   _H8_    56     1.09594   109.23795    60.64247
   78    76 S   CT   _C23    57     1.53688   110.78790   -57.70626
   79    78 S   HC   _H35    58     1.09672   109.04228    74.30392
   80    78 S   HC   _H36    59     1.09715   110.61730   -42.84099
   81    76 S   CT   _C21    75     1.55321   109.58691  -179.33324
   82    81 S   HC   _H7_    76     1.10234   105.86050    65.69888
   83    78 S   CM   _C24    60     1.49522   113.69389  -164.33174
   84    83 S   HC   _H37    61     1.08757   115.69356  -166.45729
   85    81 S   CT   _C20    77     1.54948   112.30531   -48.78400
   86    85 S   HC   _H33    78     1.09383   110.64919   -74.11522
   87    85 S   HC   _H34    79     1.09589   109.67381   169.04864
   88    83 S   CM   _C25    62     1.34440   124.70475    13.33194
   89    85 S   CT   _C19    80     1.53879   113.91067    48.04298
   90    89 S   HC   _H31    81     1.09766   108.72689    68.29253
   91    89 S   HC   _H32    82     1.09302   107.98219  -176.76009
   92    88 S   CT   _C30    63     1.51173   119.97788  -178.83316
   93    92 S   HC   _H42    64     1.09785   111.60691    -7.24901
   94    92 S   HC   _H43    65     1.09740   109.60870   108.41543
   95    62 S   CT   _C18    83     1.56227   119.56993  -179.74977
   96    92 S   CT   _C29    66     1.52584   111.90116  -129.34388
   97    96 S   HC   _H9_    67     1.09694   109.72559    68.55504
   98    95 S   CT   _C32    84     1.54780   110.91854   -45.02057
   99    98 S   HC   _H48    85     1.09460   112.36557   -46.77366
  100    98 S   HC   _H49    86     1.09311   112.76513  -167.46183
  101    98 S   HC   _H50    87     1.09453   111.03020    73.04803
  102    96 S   CT   _C28    68     1.52543   111.17325   -53.37961
  103   102 S   HC   _H40    69     1.09694   110.18964   -66.92857
  104   102 S   HC   _H41    70     1.09706   109.56979   177.63752
  105    96 S   OH   _O34    92     1.42434   108.63706  -173.89889
  106   105 S   HO   _H44    93     0.97245   107.51682  -179.64778
  107   102 S   CT   _C27    71     1.52814   111.23916    56.21818
  108   107 S   HC   _H38    72     1.09861   107.78259    67.05359
  109   107 S   HC   _H39    73     1.09653   108.16530  -178.38772
  110    88 S   CT   _C26    74     1.53504   122.87872     1.49227
  111   110 S   CT   _C31    88     1.54769   107.99349  -107.87170
  112   111 S   HC   _H45    89     1.09480   111.67991  -171.48793
  113   111 S   HC   _H46    90     1.09485   111.79962    67.50439
  114   111 S   HC   _H47    91     1.09516   112.35780   -52.46100
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  24   2   1   1  17   7   6  14   9   9   5   4  12   5   4   7
   3   2   1   3   2   1   1   3   2   1   1  15   8  23   9   5
   2   1   1  11   6   5  11   5   4  19   7  18   9  11   5   4
  20   8   9   3  11   6   5  15   8   3   2  12   6   5   4  10
   6   3   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    45    40    41    48    52    42    43    44    56  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    45    46    47    60    40    41    48    49    50    51    52    53    54    55    42    43    44    56    57    58    59  
   35    36  
   36  
    0  
   38    39    45    46    47    60    61    62    64    40    41    48    52    42    43    44    56  
   39    45    46    47    60    40    42  
   45    46    47    60    40    42  
   41    48    49    50    51    52    53    54    55    42    43    44    56    45  
   48    49    50    51    52    53    54    55    42  
   43    44    56    57    58    59    45    48    52  
   44    56    57    58    59  
   56    57    58    59  
   46    47    60    61    62    63    68    95    64    65    66    67  
   47    60    61    62    64  
   60    61    62    64  
   49    50    51    52    53    54    55  
   50    51    52  
   51    52  
   52  
   53    54    55  
   54    55  
   55  
    0  
   57    58    59  
   58    59  
   59  
    0  
   61    62    63    68    69    70    71    74    89    95    98    64    65    66    67  
   62    63    68    95    64    65    66    67  
   63    68    69    70    71    72    73    74    75    76    85    89    90    91    95    98    99   100   101    64    65    66    67  
   68    69    70    71    74    89    95    98    64  
   65    66    67    68    95  
   66    67  
   67  
    0  
   69    70    71    72    73    74    75    76    89    95    98  
   70    71    72    73    74    95  
   71    72    73    74    95  
   72    73    74    75    76    77    78    81    89    95    98  
   73    74    75    76    95  
   74    75    76    95  
   75    76    77    78    79    80    83   110    81    82    85    89    90    91    95    98    99   100   101  
   76    77    78    81    89    95    98  
   77    78    79    80    83    84    88   107   110    81    82    85    86    87    89    95    98   111  
   78    79    80    83   110    81    82    85    95  
   79    80    83    84    88    92   110    81    82    85    95  
   80    83    84    88    81  
   83    84    88    81  
   82    85    86    87    89    90    91    95   111   112   113   114    83    88    92   102   107   108   109   110  
   85    86    87    89   111    88   107   110  
   84    88    92    93    94    96   107   110   111  
   88    92   110  
   86    87    89    90    91    95    98   111    88   107   110  
   87    89    90    91    95   110  
   89    90    91    95   110  
   92    93    94    96    97   102   107   108   109   110   111   112   113   114   105  
   90    91    95    98    99   100   101   110  
   91    95    98  
   95    98  
   93    94    96    97   102   103   104   107   110   111   105   106  
   94    96    97   102   110   105  
   96    97   102   110   105  
   98    99   100   101  
   97   102   103   104   107   108   109   110   105   106  
  102   103   104   107   105   106  
   99   100   101  
  100   101  
  101  
    0  
  103   104   107   108   109   110   111   105   106  
  104   107   108   109   110   105  
  107   108   109   110   105  
  106   107  
    0  
  108   109   110   111   112   113   114  
  109   110   111  
  110   111  
  111   112   113   114  
  112   113   114  
  113   114  
  114  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   44   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   89   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   96   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  106   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  107   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  111   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    60   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    64   268.000  1.529
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    95   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   340.000  1.090
   74    76   268.000  1.529
   74    95   268.000  1.529
   76    77   340.000  1.090
   76    78   268.000  1.529
   76    81   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    83   317.000  1.510
   83    84   340.000  1.080
   83    88   549.000  1.340
   88    92   317.000  1.510
   88   110   317.000  1.510
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    96   268.000  1.529
   96    97   340.000  1.090
   96   102   268.000  1.529
   96   105   320.000  1.410
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   107   268.000  1.529
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   268.000  1.529
  110    81   268.000  1.529
  110   111   268.000  1.529
   81    82   340.000  1.090
   81    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    95   268.000  1.529
   95    98   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
  111   112   340.000  1.090
  111   113   340.000  1.090
  111   114   340.000  1.090
  105   106   553.000  0.945
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   40    41   340.000  1.090
   40    48   268.000  1.529
   40    52   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   42    43   570.000  1.307
   42    44   340.000  1.090
   42    56   268.000  1.529
   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    45    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    48    58.35000  112.70000
   33    40    52    58.35000  112.70000
   33    42    43    50.00000  109.50000
   33    42    44    37.50000  110.70000
   33    42    56    58.35000  112.70000
   37    45    46    37.50000  110.70000
   37    45    47    37.50000  110.70000
   37    45    60    58.35000  112.70000
   39    37    38    33.00000  107.80000
   45    37    38    37.50000  110.70000
   45    37    39    37.50000  110.70000
   45    60    61    37.50000  110.70000
   45    60    62    58.35000  112.70000
   45    60    64    58.35000  112.70000
   47    45    46    33.00000  107.80000
   60    45    46    37.50000  110.70000
   60    45    47    37.50000  110.70000
   60    62    63    37.50000  110.70000
   60    62    68    58.35000  112.70000
   60    62    95    58.35000  112.70000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    67    37.50000  110.70000
   62    60    61    37.50000  110.70000
   62    68    69    37.50000  110.70000
   62    68    70    37.50000  110.70000
   62    68    71    58.35000  112.70000
   62    95    74    58.35000  112.70000
   62    95    89    58.35000  112.70000
   62    95    98    58.35000  112.70000
   68    62    63    37.50000  110.70000
   68    71    72    37.50000  110.70000
   68    71    73    37.50000  110.70000
   68    71    74    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    74    75    37.50000  110.70000
   71    74    76    58.35000  112.70000
   71    74    95    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    76    77    37.50000  110.70000
   74    76    78    58.35000  112.70000
   74    76    81    58.35000  112.70000
   74    95    89    58.35000  112.70000
   74    95    98    58.35000  112.70000
   76    74    75    37.50000  110.70000
   76    78    79    37.50000  110.70000
   76    78    80    37.50000  110.70000
   76    78    83    70.00000  112.02700
   76    81   110    58.35000  112.70000
   76    81    82    37.50000  110.70000
   76    81    85    58.35000  112.70000
   78    76    77    37.50000  110.70000
   78    83    84    35.00000  117.00000
   78    83    88    70.00000  124.00000
   80    78    79    33.00000  107.80000
   83    78    79    35.00000  109.50000
   83    78    80    35.00000  109.50000
   83    88    92    70.00000  124.00000
   83    88   110    70.00000  124.00000
   88    83    84    35.00000  120.00000
   88    92    93    35.00000  109.50000
   88    92    94    35.00000  109.50000
   88    92    96    70.00000  112.02700
   88   110   107    70.00000  112.02700
   88   110    81    70.00000  112.02700
   88   110   111    70.00000  112.02700
   92    96    97    37.50000  110.70000
   92    96   102    58.35000  112.70000
   92    96   105    50.00000  109.50000
   94    92    93    33.00000  107.80000
   96    92    93    37.50000  110.70000
   96    92    94    37.50000  110.70000
   96   102   103    37.50000  110.70000
   96   102   104    37.50000  110.70000
   96   102   107    58.35000  112.70000
   96   105   106    55.00000  108.50000
  102    96    97    37.50000  110.70000
  102   107   108    37.50000  110.70000
  102   107   109    37.50000  110.70000
  102   107   110    58.35000  112.70000
  104   102   103    33.00000  107.80000
  107   102   103    37.50000  110.70000
  107   102   104    37.50000  110.70000
  107   110    81    58.35000  112.70000
  107   110   111    58.35000  112.70000
  109   107   108    33.00000  107.80000
  110    88    92    65.00000  117.92700
  110   107   108    37.50000  110.70000
  110   107   109    37.50000  110.70000
  110    81    82    37.50000  110.70000
  110    81    85    58.35000  112.70000
  110   111   112    37.50000  110.70000
  110   111   113    37.50000  110.70000
  110   111   114    37.50000  110.70000
   81    76    77    37.50000  110.70000
   81    76    78    58.35000  112.70000
   81    85    86    37.50000  110.70000
   81    85    87    37.50000  110.70000
   81    85    89    58.35000  112.70000
   85    81    82    37.50000  110.70000
   85    89    90    37.50000  110.70000
   85    89    91    37.50000  110.70000
   85    89    95    58.35000  112.70000
   87    85    86    33.00000  107.80000
   89    85    86    37.50000  110.70000
   89    85    87    37.50000  110.70000
   89    95    98    58.35000  112.70000
   91    89    90    33.00000  107.80000
   95    62    63    37.50000  110.70000
   95    62    68    58.35000  112.70000
   95    74    75    37.50000  110.70000
   95    74    76    58.35000  112.70000
   95    89    90    37.50000  110.70000
   95    89    91    37.50000  110.70000
   95    98    99    37.50000  110.70000
   95    98   100    37.50000  110.70000
   95    98   101    37.50000  110.70000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
  111   110    81    58.35000  112.70000
  113   111   112    33.00000  107.80000
  114   111   112    33.00000  107.80000
  114   111   113    33.00000  107.80000
  105    96    97    35.00000  109.50000
  105    96   102    50.00000  109.50000
   64    60    61    37.50000  110.70000
   64    60    62    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    48    49    37.50000  110.70000
   40    48    50    37.50000  110.70000
   40    48    51    37.50000  110.70000
   40    52    53    37.50000  110.70000
   40    52    54    37.50000  110.70000
   40    52    55    37.50000  110.70000
   48    40    41    37.50000  110.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   52    40    41    37.50000  110.70000
   52    40    48    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    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   42    56    57    37.50000  110.70000
   42    56    58    37.50000  110.70000
   42    56    59    37.50000  110.70000
   44    42    43    45.00000  125.66300
   56    42    43    50.00000  109.50000
   56    42    44    37.50000  110.70000
   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
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   92    96   105   106  -0.11600  1.0 1.0
   92    96   105   106  -0.09450 -1.0 2.0
   92    96   105   106   0.21250  1.0 3.0
   93    92    96    97   0.15000  1.0 3.0
   93    92    96   102   0.15000  1.0 3.0
   93    92    96   105   0.23400  1.0 3.0
   94    92    96    97   0.15000  1.0 3.0
   94    92    96   102   0.15000  1.0 3.0
   94    92    96   105   0.23400  1.0 3.0
   96   102   107   108   0.15000  1.0 3.0
   96   102   107   109   0.15000  1.0 3.0
   96   102   107   110   0.56750  1.0 1.0
   96   102   107   110  -0.07550 -1.0 2.0
   96   102   107   110   0.20000  1.0 3.0
   97    96   102   103   0.15000  1.0 3.0
   97    96   102   104   0.15000  1.0 3.0
   97    96   102   107   0.15000  1.0 3.0
   97    96   105   106   0.19450  1.0 3.0
  102    96   105   106  -0.11600  1.0 1.0
  102    96   105   106  -0.09450 -1.0 2.0
  102    96   105   106   0.21250  1.0 3.0
  102   107  -110    88   0.34400  1.0 1.0
  102   107  -110    88   0.09450 -1.0 2.0
  102   107  -110    88   0.11100  1.0 3.0
  102   107   110    81   0.56750  1.0 1.0
  102   107   110    81  -0.07550 -1.0 2.0
  102   107   110    81   0.20000  1.0 3.0
  102   107   110   111   0.56750  1.0 1.0
  102   107   110   111  -0.07550 -1.0 2.0
  102   107   110   111   0.20000  1.0 3.0
  103   102   107   108   0.15000  1.0 3.0
  103   102   107   109   0.15000  1.0 3.0
  103   102   107   110   0.15000  1.0 3.0
  104   102   107   108   0.15000  1.0 3.0
  104   102   107   109   0.15000  1.0 3.0
  104   102   107   110   0.15000  1.0 3.0
  107   110    81    76   0.56750  1.0 1.0
  107   110    81    76  -0.07550 -1.0 2.0
  107   110    81    76   0.20000  1.0 3.0
  107   110    81    82   0.15000  1.0 3.0
  107   110    81    85   0.56750  1.0 1.0
  107   110    81    85  -0.07550 -1.0 2.0
  107   110    81    85   0.20000  1.0 3.0
  107   110   111   112   0.15000  1.0 3.0
  107   110   111   113   0.15000  1.0 3.0
  107   110   111   114   0.15000  1.0 3.0
  108   107   110    88   0.15000  1.0 3.0
  108   107   110    81   0.15000  1.0 3.0
  108   107   110   111   0.15000  1.0 3.0
  109   107   110    88   0.15000  1.0 3.0
  109   107   110    81   0.15000  1.0 3.0
  109   107   110   111   0.15000  1.0 3.0
  110    88    92    93   0.34800  1.0 3.0
  110    88    92    94   0.34800  1.0 3.0
  110    88   -92    96   0.46850  1.0 1.0
  110    88   -92    96   0.08550 -1.0 2.0
  110    88   -92    96   0.09800  1.0 3.0
  110    81    85    86   0.15000  1.0 3.0
  110    81    85    87   0.15000  1.0 3.0
  110    81    85    89   0.56750  1.0 1.0
  110    81    85    89  -0.07550 -1.0 2.0
  110    81    85    89   0.20000  1.0 3.0
   81    76    78    79   0.15000  1.0 3.0
   81    76    78    80   0.15000  1.0 3.0
   81    76   -78    83   0.34400  1.0 1.0
   81    76   -78    83   0.09450 -1.0 2.0
   81    76   -78    83   0.11100  1.0 3.0
   81   110   111   112   0.15000  1.0 3.0
   81   110   111   113   0.15000  1.0 3.0
   81   110   111   114   0.15000  1.0 3.0
   81    85    89    90   0.15000  1.0 3.0
   81    85    89    91   0.15000  1.0 3.0
   81    85    89    95   0.56750  1.0 1.0
   81    85    89    95  -0.07550 -1.0 2.0
   81    85    89    95   0.20000  1.0 3.0
   82    81    85    86   0.15000  1.0 3.0
   82    81    85    87   0.15000  1.0 3.0
   82    81    85    89   0.15000  1.0 3.0
   85    89    95    62   0.56750  1.0 1.0
   85    89    95    62  -0.07550 -1.0 2.0
   85    89    95    62   0.20000  1.0 3.0
   85    89   -95    74   0.56750  1.0 1.0
   85    89   -95    74  -0.07550 -1.0 2.0
   85    89   -95    74   0.20000  1.0 3.0
   85    89    95    98   0.56750  1.0 1.0
   85    89    95    98  -0.07550 -1.0 2.0
   85    89    95    98   0.20000  1.0 3.0
   86    85    89    90   0.15000  1.0 3.0
   86    85    89    91   0.15000  1.0 3.0
   86    85    89    95   0.15000  1.0 3.0
   87    85    89    90   0.15000  1.0 3.0
   87    85    89    91   0.15000  1.0 3.0
   87    85    89    95   0.15000  1.0 3.0
   89    95    98    99   0.15000  1.0 3.0
   89    95    98   100   0.15000  1.0 3.0
   89    95    98   101   0.15000  1.0 3.0
   90    89    95    62   0.15000  1.0 3.0
   90    89    95    74   0.15000  1.0 3.0
   90    89    95    98   0.15000  1.0 3.0
   91    89    95    62   0.15000  1.0 3.0
   91    89    95    74   0.15000  1.0 3.0
   91    89    95    98   0.15000  1.0 3.0
   95    62    68    69   0.15000  1.0 3.0
   95    62    68    70   0.15000  1.0 3.0
   95    62   -68    71   0.56750  1.0 1.0
   95    62   -68    71  -0.07550 -1.0 2.0
   95    62   -68    71   0.20000  1.0 3.0
   95    74    76    77   0.15000  1.0 3.0
   95    74    76    78   0.56750  1.0 1.0
   95    74    76    78  -0.07550 -1.0 2.0
   95    74    76    78   0.20000  1.0 3.0
   95    74   -76    81   0.56750  1.0 1.0
   95    74   -76    81  -0.07550 -1.0 2.0
   95    74   -76    81   0.20000  1.0 3.0
  111   110    81    76   0.56750  1.0 1.0
  111   110    81    76  -0.07550 -1.0 2.0
  111   110    81    76   0.20000  1.0 3.0
  111   110    81    82   0.15000  1.0 3.0
  111   110    81    85   0.56750  1.0 1.0
  111   110    81    85  -0.07550 -1.0 2.0
  111   110    81    85   0.20000  1.0 3.0
  105    96   102   103   0.23400  1.0 3.0
  105    96   102   104   0.23400  1.0 3.0
  105    96   102   107   0.86500  1.0 1.0
  105    96   102   107  -0.17500 -1.0 2.0
  105    96   102   107   0.20800  1.0 3.0
   64    60    62    63   0.15000  1.0 3.0
   64    60    62    68   0.56750  1.0 1.0
   64    60    62    68  -0.07550 -1.0 2.0
   64    60    62    68   0.20000  1.0 3.0
   64    60    62    95   0.56750  1.0 1.0
   64    60    62    95  -0.07550 -1.0 2.0
   64    60    62    95   0.20000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    45   0.56750  1.0 1.0
   40    33    37    45  -0.07550 -1.0 2.0
   40    33    37    45   0.20000  1.0 3.0
   40    33    42    43   0.62750  1.0 1.0
   40    33    42    43  -0.30950 -1.0 2.0
   40    33    42    43   0.27300  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    56   0.56750  1.0 1.0
   40    33    42    56  -0.07550 -1.0 2.0
   40    33    42    56   0.20000  1.0 3.0
   41    40    48    49   0.15000  1.0 3.0
   41    40    48    50   0.15000  1.0 3.0
   41    40    48    51   0.15000  1.0 3.0
   41    40    52    53   0.15000  1.0 3.0
   41    40    52    54   0.15000  1.0 3.0
   41    40    52    55   0.15000  1.0 3.0
   48    40    52    53   0.15000  1.0 3.0
   48    40    52    54   0.15000  1.0 3.0
   48    40    52    55   0.15000  1.0 3.0
   52    40    48    49   0.15000  1.0 3.0
   52    40    48    50   0.15000  1.0 3.0
   52    40    48    51   0.15000  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    45   0.56750  1.0 1.0
   42    33    37    45  -0.07550 -1.0 2.0
   42    33    37    45   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    48   0.56750  1.0 1.0
   42    33    40    48  -0.07550 -1.0 2.0
   42    33    40    48   0.20000  1.0 3.0
   42    33    40    52   0.56750  1.0 1.0
   42    33    40    52  -0.07550 -1.0 2.0
   42    33    40    52   0.20000  1.0 3.0
   43    42    56    57   0.23400  1.0 3.0
   43    42    56    58   0.23400  1.0 3.0
   43    42    56    59   0.23400  1.0 3.0
   44    42    56    57   0.15000  1.0 3.0
   44    42    56    58   0.15000  1.0 3.0
   44    42    56    59   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   78    84    83    88   1.10000 -1.0 2.0
   92   110    88    83   1.10000 -1.0 2.0
END
