* LIGAND DATABASE FILE (OPLS2005)
*
001     114   117    216    342     641
    1     0 S   NP   _N1_     1    28.99747    94.01607   -25.05953
    2     1 S   H    _HN1     2     1.02786   112.12007  -102.39596
    3     1 S   H    _H1_     3     1.02949    87.46134     6.41200
    4     1 S   H    _H2_     4     1.02830    19.93920   176.14202
    5     1 S   CT   _CA1     5     1.50113   122.86719   119.17556
    6     5 S   HC   _HA1     6     1.09572   105.19808    77.04877
    7     5 S   CO3  _C1_     7     1.53790   112.46423   -43.19627
    8     7 S   O2Z  _O11     8     1.26373   115.00468   -42.45841
    9     7 S   O2Z  _O12     9     1.26240   114.94801   136.68230
   10     5 S   CT   _CB1    10     1.53083   107.42834  -164.95333
   11    10 S   HC   HB11    11     1.09832   109.38596   -49.63525
   12    10 S   HC   HB12    12     1.09813   110.44109    66.97705
   13    10 S   CT   _CG1    13     1.52993   112.60278  -170.60803
   14    13 S   HC   HG11    14     1.09581   110.63365   -65.49642
   15    13 S   HC   HG12    15     1.09670   109.78455    53.73363
   16    13 S   C    _CD1    16     1.51801   112.22988   174.20573
   17    16 S   O    _OE1    17     1.22731   123.28710     7.08443
   18    16 S   N    _N2_    18     1.38657   111.67399  -173.08579
   19    18 S   H    _HN2    19     1.01584   118.93819     1.70157
   20    18 S   CT1  _CA2    20     1.46190   123.37684   177.47230
   21    20 S   HC   _HA2    21     1.09737   109.36620     1.87670
   22    20 S   C    _C2_    22     1.53539   108.62054  -113.60615
   23    22 S   O    _O2_    23     1.23058   122.27121  -148.09364
   24    20 S   CT   _CB2    32     1.53308   111.59365   123.89586
   25    24 S   HC   HB21    33     1.09540   110.02898    56.34309
   26    24 S   HC   HB22    34     1.09521   110.17521   175.40782
   27    22 S   N    _N3_    24     1.38323   113.69560    39.35493
   28    27 S   H    _HN3    25     1.01589   119.57796    -3.35264
   29    24 S   S    _SG2    35     1.82738   111.54110   -64.82506
   30    27 S   CT   _CA3    26     1.45288   123.22001   177.12036
   31    30 S   HC   HA31    27     1.09550   107.51506   -64.49263
   32    30 S   HC   HA32    28     1.09556   107.98181    51.94695
   33    29 S   CT   _C11    36     1.83424    99.37224  -176.95098
   34    33 S   HC   _H5_    37     1.09478   106.56198    53.21292
   35    30 S   CO3  _C3_    29     1.52960   114.07272   173.93877
   36    35 S   O2Z  _O31    30     1.26378   116.06307    -0.68357
   37    35 S   O2Z  _O32    31     1.26428   114.41384   179.37693
   38    33 S   CT   _C12    38     1.54621   112.44765   -66.13557
   39    38 S   HC   _H14    39     1.09555   109.25722    98.73290
   40    38 S   HC   _H15    40     1.09714   112.80769   -19.78001
   41    38 S   CT   _C13    41     1.55146   106.43614  -139.06042
   42    41 S   HC   _H6_    42     1.10140   105.85956    99.46191
   43    41 S   C5BC _C19    43     1.49869   114.89019  -144.12837
   44    41 S   CT   _C14    51     1.56262   104.97376   -14.65301
   45    43 S   C5BC _C20    44     1.42607   126.11146  -140.78241
   46    45 S   HA   _H22    45     1.08110   127.27972    -0.32082
   47    44 S   CT   _C15    52     1.56412   113.20676   155.47380
   48    47 S   HC   _H7_    53     1.09601   109.41297    -7.18002
   49    44 S   CT   _C18   111     1.56382   110.62664   -79.65626
   50    49 S   HC   _H19   112     1.09520   111.70734   174.10100
   51    49 S   HC   _H20   113     1.09339   113.10210    52.97721
   52    49 S   HC   _H21   114     1.09549   111.67779   -66.56383
   53    45 S   C5A  _C21    46     1.37396   106.83007  -179.96044
   54    53 S   HA   _H23    47     1.08020   133.83427   179.72094
   55    47 S   CT   _C6_    54     1.56118   114.53296  -127.14377
   56    55 S   HC   _H3_    55     1.09639   108.78062    83.64061
   57    47 S   OS   _O35   104     1.45474   109.10304   111.96101
   58    53 S   OA   _O37    48     1.35589   110.41090    -0.37949
   59    55 S   CT   _C7_    56     1.57750   115.08770   -37.12951
   60    59 S   HC   _H4_    57     1.09422   104.69674   -68.95070
   61    55 S   OS   _O34    97     1.45269   107.50649  -159.82236
   62    57 S   CO4  _C16   105     1.36141   119.13723  -122.42429
   63    62 S   O    _O36   106     1.22259   126.80803    -1.38055
   64    43 S   C5A  _C22    49     1.38237   129.12286    38.60224
   65    64 S   HA   _H24    50     1.08068   133.55701     0.45284
   66    59 S   CM   _C8_    58     1.56290   110.92211    43.20597
   67    59 S   CT   _C23    65     1.63272   113.73612   174.21606
   68    61 S   CO4  _C5_    98     1.36398   117.76099   -81.19667
   69    68 S   O    _O33    99     1.22289   126.39017    -2.76697
   70    62 S   CT   _C17   107     1.49820   109.27232   179.08764
   71    70 S   HC   _H16   108     1.09298   109.82370   -59.85186
   72    70 S   HC   _H17   109     1.09374   109.37130  -178.83098
   73    70 S   HC   _H18   110     1.09292   109.77995    62.05349
   74    33 S   CT   _C10    59     1.55326   114.16245   175.79723
   75    66 S   CM   _C9_    62     1.34524   122.88778  -169.72153
   76    75 S   HC   _H12    63     1.08362   122.43028   177.33479
   77    75 S   HC   _H13    64     1.07966   123.04990    -1.67293
   78    67 S   CM   _C24    66     1.52619   114.51645    21.22538
   79    78 S   HC   _H26    67     1.09050   116.25813   -69.44875
   80    67 S   CT   _C34    93     1.55921   107.34607   -91.40325
   81    80 S   HC   _H39    94     1.09399   112.60403   -70.96227
   82    80 S   HC   _H40    95     1.09778   112.20094   167.72054
   83    80 S   HC   _H41    96     1.09612   111.26854    49.96674
   84    68 S   CT   _C4_   100     1.49830   109.46932   177.06428
   85    84 S   HC   _H9_   101     1.09297   109.79772   -60.11139
   86    84 S   HC   _H10   102     1.09373   109.33184  -179.04509
   87    84 S   HC   _H11   103     1.09244   109.98150    61.80669
   88    74 S   OH   _O38    60     1.43901   106.43014    47.12142
   89    88 S   HO   _H25    61     0.97391   107.09535   -56.41713
   90    78 S   CM   _C25    68     1.33599   127.74708   113.30263
   91    90 S   HC   _H27    69     1.08419   121.19730   177.16441
   92    90 S   CO4  _C26    70     1.47570   121.34291    -4.41588
   93    92 S   O    _O39    71     1.23004   118.70462   173.37881
   94    92 S   CT   _C27    72     1.52740   118.09008   -10.10258
   95    67 S   CT   _C28    73     1.60988   111.22218   144.63079
   96    95 S   HC   _H8_    74     1.09055   107.31954    28.72839
   97    94 S   CT   _C32    85     1.54170   106.87900   -84.69794
   98    97 S   HC   _H33    86     1.09516   111.19922   173.65566
   99    97 S   HC   _H34    87     1.09131   112.74883    50.87570
  100    97 S   HC   _H35    88     1.09737   111.09002   -66.86073
  101    94 S   CT   _C33    89     1.54567   108.75664   161.48012
  102   101 S   HC   _H36    90     1.09492   111.21168  -176.09355
  103   101 S   HC   _H37    91     1.09735   111.33967    64.64708
  104   101 S   HC   _H38    92     1.09437   112.28895   -53.43792
  105    95 S   CT   _C29    75     1.56404   113.31969   146.26951
  106   105 S   HC   _H28    76     1.09558   110.27462    89.19143
  107   105 S   HC   _H29    77     1.09048   113.25922   -30.48504
  108   105 S   CO4  _C30    78     1.51784   113.47876  -146.94587
  109   108 S   O    _O40    79     1.22365   124.80700    34.07089
  110   108 S   OS   _O41    80     1.36489   109.43308  -148.00094
  111   110 S   CT   _C31    81     1.43044   115.20500  -179.42939
  112   111 S   HC   _H30    82     1.09327   108.10946  -179.01862
  113   111 S   HC   _H31    83     1.09418   110.26213    62.28875
  114   111 S   HC   _H32    84     1.09429   110.30982   -60.33311
  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
  16   8   2   1   1  13   6   5  20   7  11  19   6   4  19   8
   8   3   2   1   4   2  16   7   9   2  21   8   8   5   4   1
   1  10  20   5   4   3   2   1   1   5   3   1   1  13   5   8
   3   2   1   3   2   1   1   1   1   7   3  13   4  14  15   6
   8   3   2   1   4   2   1   1   6   4   3   6   2   4   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    74    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    44    66    74    88  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    47    59    66    74    88    89    75    49  
   38    39    40    41    44    66    74    88  
   36    37  
   37  
    0  
   39    40    41    42    43    45    64    44    47    66    74    88    49  
   40    41    42    43    44    74  
   41    42    43    44    74  
   42    43    45    46    53    58    64    65    44    47    48    55    66    74    88    57    49    50    51    52  
   43    45    64    44    47    74    49  
   45    46    53    54    58    64    65    44    47    74    49  
   47    48    55    56    59    66    74    88    89    75    61    57    62    49    50    51    52    45    64  
   46    53    54    58    64    65  
   53    54    58    64  
   48    55    56    59    60    66    74    88    67    61    68    57    62    63    70    49    50    51    52  
   55    56    59    74    61    57    62    49  
   50    51    52    55    57    66    74    88  
   51    52    74  
   52    74  
   74  
   54    58    64    65  
   58    64  
   56    59    60    66    74    75    67    78    95    80    61    68    69    84    57    62  
   59    60    66    67    61    68    57  
   62    63    70    71    72    73    59    61    74  
   64    65  
   60    66    74    88    75    76    77    67    78    79    90    94    95    96   105    80    81    82    83    61    68  
   66    74    75    67    78    95    80    61  
   68    69    84    85    86    87    66    67  
   63    70    71    72    73  
   70    71    72    73  
   65  
    0  
   74    88    89    75    76    77    67    78    95    80  
   78    79    90    91    92    94    95    96   105   106   107   108    97   101    80    81    82    83    74    75  
   69    84    85    86    87  
   84    85    86    87  
   71    72    73  
   72    73  
   73  
    0  
   88    89    75    76    77  
   76    77    88  
   77  
    0  
   79    90    91    92    93    94    95    96   105    80    81    82    83  
   90    91    92    95    80  
   81    82    83    90    94    95    96   105  
   82    83    95  
   83    95  
   95  
   85    86    87  
   86    87  
   87  
    0  
   89  
    0  
   91    92    93    94    95    97   101  
   92    93    94  
   93    94    95    96   105    97    98    99   100   101   102   103   104  
   94    95    97   101  
   95    96   105   106   107   108    97    98    99   100   101   102   103   104  
   96   105   106   107   108   109   110    97    98    99   100   101   102   103   104  
  105   106   107   108    97   101  
   98    99   100   101   102   103   104   105  
   99   100   101  
  100   101  
  101  
  102   103   104   105  
  103   104  
  104  
    0  
  106   107   108   109   110   111  
  107   108   109   110  
  108   109   110  
  109   110   111   112   113   114  
  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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   58   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   90   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   91   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   92   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   93   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   94   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   95   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  107   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  108   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  109   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  110   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
  111   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
  112   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  113   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  114   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    74   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   285.000  1.502
   41    44   268.000  1.529
   43    45   469.000  1.424
   43    64   546.000  1.367
   45    46   367.000  1.080
   45    53   546.000  1.367
   53    54   367.000  1.080
   53    58   340.000  1.360
   58    64   340.000  1.360
   64    65   367.000  1.080
   44    47   268.000  1.529
   44    74   268.000  1.529
   44    49   268.000  1.529
   47    48   340.000  1.090
   47    55   268.000  1.529
   47    57   320.000  1.410
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    61   320.000  1.410
   59    60   340.000  1.090
   59    66   317.000  1.510
   59    67   268.000  1.529
   66    74   317.000  1.510
   66    75   549.000  1.340
   74    88   320.000  1.410
   88    89   553.000  0.945
   75    76   340.000  1.080
   75    77   340.000  1.080
   67    78   317.000  1.510
   67    95   268.000  1.529
   67    80   268.000  1.529
   78    79   340.000  1.080
   78    90   549.000  1.340
   90    91   340.000  1.080
   90    92   320.000  1.462
   92    93   570.000  1.229
   92    94   317.000  1.522
   94    95   268.000  1.529
   94    97   268.000  1.529
   94   101   268.000  1.529
   95    96   340.000  1.090
   95   105   268.000  1.529
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   317.000  1.522
  108   109   570.000  1.229
  108   110   214.000  1.327
  110   111   320.000  1.410
  111   112   340.000  1.090
  111   113   340.000  1.090
  111   114   340.000  1.090
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   61    68   214.000  1.327
   68    69   570.000  1.229
   68    84   317.000  1.522
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   57    62   214.000  1.327
   62    63   570.000  1.229
   62    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    74    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    74    44    58.35000  112.70000
   33    74    66    70.00000  112.02700
   33    74    88    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    70.00000  112.17500
   38    41    44    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    45    60.00000  130.00000
   41    43    64    60.00000  130.00000
   41    44    47    58.35000  112.70000
   41    44    74    58.35000  112.70000
   41    44    49    58.35000  112.70000
   43    41    42    35.00000  109.50000
   43    45    46    35.00000  127.50000
   43    45    53    70.00000  107.30000
   43    64    58    70.00000  110.60000
   43    64    65    35.00000  132.10000
   45    53    54    35.00000  132.10000
   45    53    58    70.00000  110.60000
   53    45    46    35.00000  125.70000
   53    58    64    70.00000  106.50000
   58    53    54    35.00000  113.40000
   58    64    65    35.00000  113.40000
   64    43    45    70.00000  107.30000
   44    41    42    37.50000  110.70000
   44    41    43    70.00000  112.17500
   44    47    48    37.50000  110.70000
   44    47    55    58.35000  112.70000
   44    47    57    50.00000  109.50000
   44    74    66    70.00000  112.02700
   44    74    88    50.00000  109.50000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    52    37.50000  110.70000
   47    55    56    37.50000  110.70000
   47    55    59    58.35000  112.70000
   47    55    61    50.00000  109.50000
   47    57    62    83.00000  116.90000
   55    47    48    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    66    70.00000  112.02700
   55    59    67    58.35000  112.70000
   55    61    68    83.00000  116.90000
   59    55    56    37.50000  110.70000
   59    66    74    65.00000  117.92700
   59    66    75    70.00000  124.00000
   59    67    78    70.00000  112.02700
   59    67    95    58.35000  112.70000
   59    67    80    58.35000  112.70000
   66    59    60    35.00000  109.50000
   66    74    88    90.00000  110.39200
   66    75    76    35.00000  120.00000
   66    75    77    35.00000  120.00000
   74    33    34    37.50000  110.70000
   74    33    38    58.35000  112.70000
   74    44    47    58.35000  112.70000
   74    88    89    55.00000  108.50000
   75    66    74    70.00000  124.00000
   77    75    76    35.00000  117.00000
   67    59    60    37.50000  110.70000
   67    59    66    70.00000  112.02700
   67    78    79    35.00000  117.00000
   67    78    90    70.00000  124.00000
   67    95    94    58.35000  112.70000
   67    95    96    37.50000  110.70000
   67    95   105    58.35000  112.70000
   67    80    81    37.50000  110.70000
   67    80    82    37.50000  110.70000
   67    80    83    37.50000  110.70000
   78    90    91    35.00000  120.00000
   78    90    92    65.00000  118.96000
   90    78    79    35.00000  120.00000
   90    92    93    80.00000  123.72100
   90    92    94    65.00000  118.62400
   92    90    91    40.00000  117.72500
   92    94    95    63.00000  111.10000
   92    94    97    63.00000  111.10000
   92    94   101    63.00000  111.10000
   94    92    93    80.00000  120.40000
   94    95    96    37.50000  110.70000
   94    95   105    58.35000  112.70000
   94    97    98    37.50000  110.70000
   94    97    99    37.50000  110.70000
   94    97   100    37.50000  110.70000
   94   101   102    37.50000  110.70000
   94   101   103    37.50000  110.70000
   94   101   104    37.50000  110.70000
   95    67    78    70.00000  112.02700
   95   105   106    37.50000  110.70000
   95   105   107    37.50000  110.70000
   95   105   108    63.00000  111.10000
  105    95    96    37.50000  110.70000
  105   108   109    80.00000  120.40000
  105   108   110    81.00000  111.40000
  107   105   106    33.00000  107.80000
  108   105   106    35.00000  109.50000
  108   105   107    35.00000  109.50000
  108   110   111    83.00000  116.90000
  110   108   109    83.00000  123.40000
  110   111   112    35.00000  109.50000
  110   111   113    35.00000  109.50000
  110   111   114    35.00000  109.50000
  113   111   112    33.00000  107.80000
  114   111   112    33.00000  107.80000
  114   111   113    33.00000  107.80000
   97    94    95    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
  101    94    95    58.35000  112.70000
  101    94    97    58.35000  112.70000
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
   80    67    78    70.00000  112.02700
   80    67    95    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   61    55    56    35.00000  109.50000
   61    55    59    50.00000  109.50000
   61    68    69    83.00000  123.40000
   61    68    84    81.00000  111.40000
   68    84    85    35.00000  109.50000
   68    84    86    35.00000  109.50000
   68    84    87    35.00000  109.50000
   84    68    69    80.00000  120.40000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   57    47    48    35.00000  109.50000
   57    47    55    50.00000  109.50000
   57    62    63    83.00000  123.40000
   57    62    70    81.00000  111.40000
   62    70    71    35.00000  109.50000
   62    70    72    35.00000  109.50000
   62    70    73    35.00000  109.50000
   70    62    63    80.00000  120.40000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   49    44    47    58.35000  112.70000
   49    44    74    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
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   90    92    94   101  -0.03850 -1.0 2.0
   90    92    94   101   0.33900  1.0 3.0
   91    90    92    93   0.00000  1.0 1.0
   91    90    92    94   0.04550  1.0 1.0
   91    90    92    94   0.83000 -1.0 2.0
   91    90    92    94  -0.04000  1.0 3.0
   92    94   -95    67  -0.95700  1.0 1.0
   92    94   -95    67  -0.18200 -1.0 2.0
   92    94   -95    67   0.29450  1.0 3.0
   92    94    95    96  -0.11250  1.0 3.0
   92    94    95   105  -0.95700  1.0 1.0
   92    94    95   105  -0.18200 -1.0 2.0
   92    94    95   105   0.29450  1.0 3.0
   92    94    97    98  -0.11250  1.0 3.0
   92    94    97    99  -0.11250  1.0 3.0
   92    94    97   100  -0.11250  1.0 3.0
   92    94   101   102  -0.11250  1.0 3.0
   92    94   101   103  -0.11250  1.0 3.0
   92    94   101   104  -0.11250  1.0 3.0
   93    92    94    95   0.30150 -1.0 2.0
   93    92    94    97   0.30150 -1.0 2.0
   93    92    94   101   0.30150 -1.0 2.0
   94    95   105   106   0.15000  1.0 3.0
   94    95   105   107   0.15000  1.0 3.0
   94    95   105   108  -0.95700  1.0 1.0
   94    95   105   108  -0.18200 -1.0 2.0
   94    95   105   108   0.29450  1.0 3.0
   95    67    78    79   0.00000  1.0 1.0
   95    67   -78    90   0.09850  1.0 1.0
   95    67   -78    90   0.15250 -1.0 2.0
   95    67   -78    90  -0.50650  1.0 3.0
   95    67    80    81   0.15000  1.0 3.0
   95    67    80    82   0.15000  1.0 3.0
   95    67    80    83   0.15000  1.0 3.0
   95    94    97    98   0.15000  1.0 3.0
   95    94    97    99   0.15000  1.0 3.0
   95    94    97   100   0.15000  1.0 3.0
   95    94   101   102   0.15000  1.0 3.0
   95    94   101   103   0.15000  1.0 3.0
   95    94   101   104   0.15000  1.0 3.0
   95   105   108   109   0.30150 -1.0 2.0
   95   105   108   110   0.36750  1.0 3.0
   96    95   105   106   0.15000  1.0 3.0
   96    95   105   107   0.15000  1.0 3.0
   96    95   105   108  -0.11250  1.0 3.0
  105   108   110   111   1.63150  1.0 1.0
  105   108   110   111   2.92000 -1.0 2.0
  106   105   108   109   0.00000  1.0 1.0
  106   105   108   110   0.00000  1.0 1.0
  107   105   108   109   0.00000  1.0 1.0
  107   105   108   110   0.00000  1.0 1.0
  108   110   111   112   0.08050  1.0 3.0
  108   110   111   113   0.08050  1.0 3.0
  108   110   111   114   0.08050  1.0 3.0
  109   108   110   111   3.00000 -1.0 2.0
   97    94    95    67   0.56750  1.0 1.0
   97    94    95    67  -0.07550 -1.0 2.0
   97    94    95    67   0.20000  1.0 3.0
   97    94    95    96   0.15000  1.0 3.0
   97    94    95   105   0.56750  1.0 1.0
   97    94    95   105  -0.07550 -1.0 2.0
   97    94    95   105   0.20000  1.0 3.0
   97    94   101   102   0.15000  1.0 3.0
   97    94   101   103   0.15000  1.0 3.0
   97    94   101   104   0.15000  1.0 3.0
  101    94    95    67   0.56750  1.0 1.0
  101    94    95    67  -0.07550 -1.0 2.0
  101    94    95    67   0.20000  1.0 3.0
  101    94    95    96   0.15000  1.0 3.0
  101    94    95   105   0.56750  1.0 1.0
  101    94    95   105  -0.07550 -1.0 2.0
  101    94    95   105   0.20000  1.0 3.0
  101    94    97    98   0.15000  1.0 3.0
  101    94    97    99   0.15000  1.0 3.0
  101    94    97   100   0.15000  1.0 3.0
   80    67    78    79   0.00000  1.0 1.0
   80    67    78    90   0.09850  1.0 1.0
   80    67    78    90   0.15250 -1.0 2.0
   80    67    78    90  -0.50650  1.0 3.0
   80    67    95    94   0.56750  1.0 1.0
   80    67    95    94  -0.07550 -1.0 2.0
   80    67    95    94   0.20000  1.0 3.0
   80    67    95    96   0.15000  1.0 3.0
   80    67    95   105   0.56750  1.0 1.0
   80    67    95   105  -0.07550 -1.0 2.0
   80    67    95   105   0.20000  1.0 3.0
   61    55    59    60   0.23400  1.0 3.0
   61    55    59    66   0.61850  1.0 1.0
   61    55    59    66  -0.22750 -1.0 2.0
   61    55    59    66   0.15300  1.0 3.0
   61    55    59    67   0.62750  1.0 1.0
   61    55    59    67  -0.30950 -1.0 2.0
   61    55    59    67   0.27300  1.0 3.0
   61    68    84    85   0.00000  1.0 1.0
   61    68    84    86   0.00000  1.0 1.0
   61    68    84    87   0.00000  1.0 1.0
   69    68    84    85   0.00000  1.0 1.0
   69    68    84    86   0.00000  1.0 1.0
   69    68    84    87   0.00000  1.0 1.0
   57    47    55    56   0.23400  1.0 3.0
   57    47    55    59   0.62750  1.0 1.0
   57    47    55    59  -0.30950 -1.0 2.0
   57    47    55    59   0.27300  1.0 3.0
   57    47    55    61   1.11900  1.0 1.0
   57    47    55    61  -1.16350 -1.0 2.0
   57    47    55    61  -0.34150  1.0 3.0
   57    62    70    71   0.00000  1.0 1.0
   57    62    70    72   0.00000  1.0 1.0
   57    62    70    73   0.00000  1.0 1.0
   63    62    70    71   0.00000  1.0 1.0
   63    62    70    72   0.00000  1.0 1.0
   63    62    70    73   0.00000  1.0 1.0
   49    44    47    48   0.15000  1.0 3.0
   49    44    47    55   0.56750  1.0 1.0
   49    44    47    55  -0.07550 -1.0 2.0
   49    44    47    55   0.20000  1.0 3.0
   49    44    47    57   0.62750  1.0 1.0
   49    44    47    57  -0.30950 -1.0 2.0
   49    44    47    57   0.27300  1.0 3.0
   49    44    74    33   0.56750  1.0 1.0
   49    44    74    33  -0.07550 -1.0 2.0
   49    44    74    33   0.20000  1.0 3.0
   49    44    74    66   0.34400  1.0 1.0
   49    44    74    66   0.09450 -1.0 2.0
   49    44    74    66   0.11100  1.0 3.0
   49    44    74    88   0.86500  1.0 1.0
   49    44    74    88  -0.17500 -1.0 2.0
   49    44    74    88   0.20800  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
   36    30    35    37  10.50000 -1.0 2.0
   45    64    43    41   4.00000 -1.0 2.0
   53    46    45    43   1.10000 -1.0 2.0
   58    54    53    45   1.10000 -1.0 2.0
   58    65    64    43   1.10000 -1.0 2.0
   59    74    66    75   1.10000 -1.0 2.0
   76    77    75    66   1.10000 -1.0 2.0
   67    79    78    90   1.10000 -1.0 2.0
   92    91    90    78   1.10000 -1.0 2.0
   90    94    92    93  10.50000 -1.0 2.0
  105   110   108   109  10.50000 -1.0 2.0
   61    84    68    69  10.50000 -1.0 2.0
   57    70    62    63  10.50000 -1.0 2.0
END
