* LIGAND DATABASE FILE (OPLS2005)
*
001     102   106    201    332     609
    1     0 S   NP   _N1_     1    28.57380    95.96662   -21.79239
    2     1 S   H    _HN1     2     1.02953    78.16253    21.02812
    3     1 S   H    _H1_     3     1.02835    37.91074   160.16730
    4     1 S   H    _H2_     4     1.02783    94.87919   -86.79417
    5     1 S   CT   _CA1     5     1.50161   145.76339   130.01075
    6     5 S   HC   _HA1     6     1.09557   105.19720    78.68680
    7     5 S   CO3  _C1_     7     1.53870   112.31144   -41.61938
    8     7 S   O2Z  _O11     8     1.26403   115.00191   -40.66513
    9     7 S   O2Z  _O12     9     1.26210   115.00198   138.39787
   10     5 S   CT   _CB1    10     1.53091   107.40297  -163.12454
   11    10 S   HC   HB11    11     1.09821   109.64712   -46.23331
   12    10 S   HC   HB12    12     1.09698   110.21606    70.40193
   13    10 S   CT   _CG1    13     1.52964   112.68376  -167.19021
   14    13 S   HC   HG11    14     1.09461   110.88132   -60.76450
   15    13 S   HC   HG12    15     1.09682   109.70780    58.11875
   16    13 S   C    _CD1    16     1.51914   112.34644   178.12403
   17    16 S   O    _OE1    17     1.22742   123.31243    -1.86130
   18    16 S   N    _N2_    18     1.38582   111.49510   179.08893
   19    18 S   H    _HN2    19     1.01608   118.73360    -1.63829
   20    18 S   CT1  _CA2    20     1.46272   123.86540   174.37524
   21    20 S   HC   _HA2    21     1.09744   109.40623    -0.13848
   22    20 S   C    _C2_    22     1.53623   108.22522  -115.22788
   23    22 S   O    _O2_    23     1.23046   122.42409  -148.32757
   24    20 S   CT   _CB2    32     1.53361   111.39621   122.39810
   25    24 S   HC   HB21    33     1.09531   109.79395    50.41103
   26    24 S   HC   HB22    34     1.09430   110.47888   169.52279
   27    22 S   N    _N3_    24     1.38386   113.64000    39.33516
   28    27 S   H    _HN3    25     1.01586   119.54560    -3.67504
   29    24 S   S    _SG2    35     1.82791   110.96386   -71.71101
   30    27 S   CT   _CA3    26     1.45280   123.19810   176.99730
   31    30 S   HC   HA31    27     1.09549   107.54504   -63.80888
   32    30 S   HC   HA32    28     1.09557   107.94234    52.62013
   33    29 S   CT   _C17    36     1.84770   100.91931   151.20842
   34    33 S   HC   _H3_    37     1.10038   104.94673   -38.22791
   35    30 S   CO3  _C3_    29     1.52949   114.09279   174.60940
   36    35 S   O2Z  _O31    30     1.26374   116.07396     0.06561
   37    35 S   O2Z  _O32    31     1.26429   114.41212  -179.89532
   38    33 S   CO4  _C10    38     1.54619   108.75027    73.03995
   39    38 S   O    _O30    39     1.23226   121.11373   -59.91602
   40    38 S   OS   _O35    40     1.36133   119.82978   120.50618
   41    40 S   CT   _C16    41     1.47120   127.28971    -1.63147
   42    41 S   HC   _H50    42     1.09756   105.65431    96.26292
   43    41 S   C5BC _C7_    43     1.50737   109.89557  -152.42757
   44    41 S   CT   _C23    51     1.56704   109.20230   -23.79582
   45    43 S   C5BC _C4_    44     1.42588   128.11381    26.56621
   46    45 S   HA   _H37    45     1.08093   127.34997     1.12135
   47    44 S   CT   _C14    52     1.55114   115.61310   176.83560
   48    47 S   HC   _H46    53     1.09721   110.97597    59.82184
   49    47 S   HC   _H47    54     1.09469   110.08565   -55.22599
   50    44 S   CT   _C26    99     1.57651   103.84332   -68.24280
   51    50 S   HC   _H58   100     1.09332   113.34116    47.51858
   52    50 S   HC   _H59   101     1.09770   110.15830   -70.68436
   53    50 S   HC   _H60   102     1.08425   116.05790   171.74907
   54    45 S   C5A  _C5_    46     1.37441   106.65664  -179.07953
   55    54 S   HA   _H38    47     1.08018   133.81332  -179.72446
   56    47 S   CT   _C13    55     1.55728   113.10630  -179.20279
   57    56 S   HC   _H44    56     1.09518   108.74505   149.44355
   58    56 S   HC   _H45    57     1.09425   106.46350   -96.49520
   59    54 S   OA   _O33    48     1.35660   110.48636     0.57743
   60    56 S   CT   _C18    58     1.55463   114.75795    24.65143
   61    60 S   HC   _H52    59     1.07922   104.67454   -67.65003
   62    43 S   C5A  _C6_    49     1.38207   126.89526  -151.24799
   63    62 S   HA   _H39    50     1.08069   133.36105    -1.00561
   64    60 S   CT   _C21    60     1.55856   109.05676    40.74022
   65    64 S   CO4  _C8_    61     1.53210   108.43800   166.36376
   66    65 S   O    _O28    62     1.23240   123.12961   136.16378
   67    33 S   CT   _C24    93     1.56725   115.57179  -157.76888
   68    67 S   OM   _O27    94     1.33872   101.81603   162.34383
   69    64 S   CT   _C25    95     1.57615   111.24054    55.47625
   70    69 S   HC   _H55    96     1.09097   114.37467   -68.31316
   71    69 S   HC   _H56    97     1.09869   111.37074   169.28015
   72    69 S   HC   _H57    98     1.07814   112.60692    52.79024
   73    65 S   CT   _C11    63     1.52589   118.10146   -50.84904
   74    73 S   HC   _H40    64     1.09695   104.76423   143.51056
   75    73 S   HC   _H41    65     1.09063   106.87294  -104.85986
   76    73 S   CT   _C19    66     1.55491   118.56857    24.49110
   77    76 S   HC   _H53    67     1.09887   100.91582   139.96256
   78    60 S   CT   _C22    68     1.60713   118.28589  -177.85443
   79    76 S   CT   _C29    82     1.59243   117.40499  -112.80389
   80    78 S   CT   _C15    69     1.54055   113.18954    15.58931
   81    80 S   HC   _H48    70     1.09442   111.58927   179.62727
   82    80 S   HC   _H49    71     1.09176   111.76404   -60.56943
   83    79 S   CT   _C27    83     1.54049   114.40322   -18.16139
   84    83 S   HC   _H61    84     1.09716   110.85077  -176.03079
   85    83 S   HC   _H62    85     1.09363   112.29739    67.12888
   86    83 S   HC   _H63    86     1.09490   111.60335   -55.90610
   87    79 S   CT   _C28    87     1.54716   111.17204  -137.69928
   88    87 S   HC   _H64    88     1.09733   110.69896   176.27769
   89    87 S   HC   _H65    89     1.09051   112.67104   -66.82319
   90    87 S   HC   _H66    90     1.09502   111.74610    56.20368
   91    79 S   OH   _O37    91     1.42631   110.84010   104.35116
   92    91 S   HO   _H68    92     0.97238   108.41384  -179.23230
   93    80 S   OS   _O34    72     1.44155   114.67209    59.50558
   94    93 S   CO4  _C9_    73     1.34690   122.87034    44.43643
   95    94 S   O    _O29    74     1.22974   121.00315   164.73451
   96    94 S   CT   _C12    75     1.50229   118.10716   -19.73160
   97    96 S   HC   _H42    76     1.09719   106.78382   138.40565
   98    96 S   HC   _H43    77     1.09266   106.45960  -107.45586
   99    78 S   CT   _C20    78     1.58935   108.55132   128.26733
  100    99 S   HC   _H54    79     1.09402   110.14061    57.20136
  101    99 S   OH   _O36    80     1.43575   110.60796   173.92652
  102   101 S   HO   _H67    81     0.97333   107.36040  -168.81785
  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   9   5   4   3
  14   7   2   1   1   9   3   9  20   7  11  18   6   4  15   7
   6   7   3   2   1   4   2  12   5   4   2  23   8   1   1  15
  14   6   7   1   5   2   1   1  11   5   4  21   7  16  12   9
   4   3   9   4   3   2   5   3   2   1   1   1   6   7   4   6
   4   3   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    67    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    64    67    68  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    60    64    65    67    68    69    50  
   38    39    40    44    64    67    68  
   36    37  
   37  
    0  
   39    40    41    42    43    44    64    67    68  
   40    41    67  
   41    42    43    45    62    44    47    67    50  
   42    43    45    46    54    59    62    63    44    47    48    49    56    64    67    68    50    51    52    53  
   43    45    62    44    47    67    50  
   45    46    54    55    59    62    63    44    47    67    50  
   47    48    49    56    57    58    60    64    65    67    68    69    50    51    52    53    45    62  
   46    54    55    59    62    63  
   54    55    59    62  
   48    49    56    57    58    60    61    64    78    67    68    50    51    52    53  
   49    56    57    58    60    67    50  
   56    57    58    60    67    50  
   51    52    53    56    64    67    68  
   52    53    67  
   53    67  
   67  
   55    59    62    63  
   59    62  
   57    58    60    61    64    65    76    78    80    99    67    69  
   58    60    61    64    78  
   60    61    64    78  
   62    63  
   61    64    65    66    73    76    77    78    80    81    82    93    96    99   100   101    79    67    68    69    70    71    72  
   64    65    76    78    80    99    67    69  
   63  
    0  
   65    66    73    74    75    76    78    80    99    67    68    69    70    71    72  
   66    73    74    75    76    77    78    79    67    68    69    70    71    72  
   73    74    75    76    67    69  
   68    69    70    71    72    73    78  
   69  
   70    71    72    73    78  
   71    72  
   72  
    0  
   74    75    76    77    78    80    99    79    83    87    91  
   75    76    77    78    79  
   76    77    78    79  
   77    78    80    81    82    93    96    99   100   101    79    83    84    85    86    87    88    89    90    91    92  
   78    80    99    79    83    87    91  
   80    81    82    93    94    96    97    98    99   100   101   102    79    83    87    91  
   83    84    85    86    87    88    89    90    91    92    80    99  
   81    82    93    94    95    96    99   100   101  
   82    93    94    99  
   93    94    99  
   84    85    86    87    88    89    90    91    92  
   85    86    87    91  
   86    87    91  
   87    91  
   88    89    90    91    92  
   89    90    91  
   90    91  
   91  
   92  
    0  
   94    95    96    97    98    99  
   95    96    97    98    99   100   101  
   96    97    98    99  
   97    98    99   100   101   102  
   98    99   100   101  
   99   100   101  
  100   101   102  
  101   102  
  102  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.030000   1.3810   1.2100   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660  -0.120000   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   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   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   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   67   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.3810   1.2100   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   79   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   80   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   94   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   95   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   96   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   99   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  102   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   317.000  1.522
   33    67   268.000  1.529
   38    39   570.000  1.229
   38    40   214.000  1.327
   40    41   320.000  1.410
   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    62   546.000  1.367
   45    46   367.000  1.080
   45    54   546.000  1.367
   54    55   367.000  1.080
   54    59   340.000  1.360
   59    62   340.000  1.360
   62    63   367.000  1.080
   44    47   268.000  1.529
   44    67   268.000  1.529
   44    50   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   268.000  1.529
   60    61   340.000  1.090
   60    64   268.000  1.529
   60    78   268.000  1.529
   64    65   317.000  1.522
   64    67   268.000  1.529
   64    69   268.000  1.529
   65    66   570.000  1.229
   65    73   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   268.000  1.529
   76    79   268.000  1.529
   78    80   268.000  1.529
   78    99   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    93   320.000  1.410
   93    94   214.000  1.327
   94    95   570.000  1.229
   94    96   317.000  1.522
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   268.000  1.529
   99   100   340.000  1.090
   99   101   320.000  1.410
  101   102   553.000  0.945
   79    83   268.000  1.529
   79    87   268.000  1.529
   79    91   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   91    92   553.000  0.945
   67    68   570.000  1.307
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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  110.18000
   29    33    67    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    81.00000  111.40000
   33    67    44    58.35000  112.70000
   33    67    64    58.35000  112.70000
   33    67    68    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    83.00000  116.90000
   40    38    39    83.00000  123.40000
   40    41    42    35.00000  109.50000
   40    41    43    85.00000  111.85700
   40    41    44    50.00000  109.50000
   41    43    45    60.00000  130.00000
   41    43    62    60.00000  130.00000
   41    44    47    58.35000  112.70000
   41    44    67    58.35000  112.70000
   41    44    50    58.35000  112.70000
   43    41    42    35.00000  109.50000
   43    45    46    35.00000  127.50000
   43    45    54    70.00000  107.30000
   43    62    59    70.00000  110.60000
   43    62    63    35.00000  132.10000
   45    54    55    35.00000  132.10000
   45    54    59    70.00000  110.60000
   54    45    46    35.00000  125.70000
   54    59    62    70.00000  106.50000
   59    54    55    35.00000  113.40000
   59    62    63    35.00000  113.40000
   62    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    49    37.50000  110.70000
   44    47    56    58.35000  112.70000
   44    67    64    58.35000  112.70000
   44    67    68    50.00000  109.50000
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    53    37.50000  110.70000
   47    56    57    37.50000  110.70000
   47    56    58    37.50000  110.70000
   47    56    60    58.35000  112.70000
   49    47    48    33.00000  107.80000
   56    47    48    37.50000  110.70000
   56    47    49    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    64    58.35000  112.70000
   56    60    78    58.35000  112.70000
   58    56    57    33.00000  107.80000
   60    56    57    37.50000  110.70000
   60    56    58    37.50000  110.70000
   60    64    65    63.00000  111.10000
   60    64    67    58.35000  112.70000
   60    64    69    58.35000  112.70000
   60    78    76    58.35000  112.70000
   60    78    80    58.35000  112.70000
   60    78    99    58.35000  112.70000
   64    60    61    37.50000  110.70000
   64    65    66    80.00000  120.40000
   64    65    73    70.00000  116.00000
   64    67    68    50.00000  109.50000
   64    69    70    37.50000  110.70000
   64    69    71    37.50000  110.70000
   64    69    72    37.50000  110.70000
   65    73    74    35.00000  109.50000
   65    73    75    35.00000  109.50000
   65    73    76    63.00000  111.10000
   73    65    66    80.00000  120.40000
   73    76    77    37.50000  110.70000
   73    76    78    58.35000  112.70000
   73    76    79    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    78    80    58.35000  112.70000
   76    78    99    58.35000  112.70000
   76    79    83    58.35000  112.70000
   76    79    87    58.35000  112.70000
   76    79    91    50.00000  109.50000
   78    60    61    37.50000  110.70000
   78    60    64    58.35000  112.70000
   78    76    77    37.50000  110.70000
   78    80    81    37.50000  110.70000
   78    80    82    37.50000  110.70000
   78    80    93    50.00000  109.50000
   78    99    96    58.35000  112.70000
   78    99   100    37.50000  110.70000
   78    99   101    50.00000  109.50000
   80    93    94    83.00000  116.90000
   82    80    81    33.00000  107.80000
   93    80    81    35.00000  109.50000
   93    80    82    35.00000  109.50000
   93    94    95    83.00000  123.40000
   93    94    96    81.00000  111.40000
   94    96    97    35.00000  109.50000
   94    96    98    35.00000  109.50000
   94    96    99    63.00000  111.10000
   96    94    95    80.00000  120.40000
   96    99   100    37.50000  110.70000
   96    99   101    50.00000  109.50000
   98    96    97    33.00000  107.80000
   99    78    80    58.35000  112.70000
   99    96    97    37.50000  110.70000
   99    96    98    37.50000  110.70000
   99   101   102    55.00000  108.50000
  101    99   100    35.00000  109.50000
   79    76    77    37.50000  110.70000
   79    76    78    58.35000  112.70000
   79    83    84    37.50000  110.70000
   79    83    85    37.50000  110.70000
   79    83    86    37.50000  110.70000
   79    87    88    37.50000  110.70000
   79    87    89    37.50000  110.70000
   79    87    90    37.50000  110.70000
   79    91    92    55.00000  108.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   87    79    83    58.35000  112.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   91    79    83    50.00000  109.50000
   91    79    87    50.00000  109.50000
   67    33    34    37.50000  110.70000
   67    33    38    63.00000  111.10000
   67    44    47    58.35000  112.70000
   67    64    65    63.00000  111.10000
   69    64    65    63.00000  111.10000
   69    64    67    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   50    44    47    58.35000  112.70000
   50    44    67    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
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   79    76    78    99  -0.07550 -1.0 2.0
   79    76    78    99   0.20000  1.0 3.0
   83    79    87    88   0.15000  1.0 3.0
   83    79    87    89   0.15000  1.0 3.0
   83    79    87    90   0.15000  1.0 3.0
   83    79    91    92  -0.11600  1.0 1.0
   83    79    91    92  -0.09450 -1.0 2.0
   83    79    91    92   0.21250  1.0 3.0
   87    79    83    84   0.15000  1.0 3.0
   87    79    83    85   0.15000  1.0 3.0
   87    79    83    86   0.15000  1.0 3.0
   87    79    91    92  -0.11600  1.0 1.0
   87    79    91    92  -0.09450 -1.0 2.0
   87    79    91    92   0.21250  1.0 3.0
   91    79    83    84   0.23400  1.0 3.0
   91    79    83    85   0.23400  1.0 3.0
   91    79    83    86   0.23400  1.0 3.0
   91    79    87    88   0.23400  1.0 3.0
   91    79    87    89   0.23400  1.0 3.0
   91    79    87    90   0.23400  1.0 3.0
   67    33    38    39   0.30150 -1.0 2.0
   67    33   -38    40   0.36750  1.0 3.0
   67    44    47    48   0.15000  1.0 3.0
   67    44    47    49   0.15000  1.0 3.0
   67    44   -47    56   0.56750  1.0 1.0
   67    44   -47    56  -0.07550 -1.0 2.0
   67    44   -47    56   0.20000  1.0 3.0
   67    44    50    51   0.15000  1.0 3.0
   67    44    50    52   0.15000  1.0 3.0
   67    44    50    53   0.15000  1.0 3.0
   67    64    65    66   0.30150 -1.0 2.0
   67    64    65    73   0.60050  1.0 1.0
   67    64    65    73   0.05600 -1.0 2.0
   67    64    65    73   0.26150  1.0 3.0
   67    64    69    70   0.15000  1.0 3.0
   67    64    69    71   0.15000  1.0 3.0
   67    64    69    72   0.15000  1.0 3.0
   69    64    65    66   0.30150 -1.0 2.0
   69    64    65    73   0.60050  1.0 1.0
   69    64    65    73   0.05600 -1.0 2.0
   69    64    65    73   0.26150  1.0 3.0
   69    64    67    33   0.56750  1.0 1.0
   69    64    67    33  -0.07550 -1.0 2.0
   69    64    67    33   0.20000  1.0 3.0
   69    64    67    44   0.56750  1.0 1.0
   69    64    67    44  -0.07550 -1.0 2.0
   69    64    67    44   0.20000  1.0 3.0
   69    64    67    68   0.62750  1.0 1.0
   69    64    67    68  -0.30950 -1.0 2.0
   69    64    67    68   0.27300  1.0 3.0
   50    44    47    48   0.15000  1.0 3.0
   50    44    47    49   0.15000  1.0 3.0
   50    44    47    56   0.56750  1.0 1.0
   50    44    47    56  -0.07550 -1.0 2.0
   50    44    47    56   0.20000  1.0 3.0
   50    44    67    33   0.56750  1.0 1.0
   50    44    67    33  -0.07550 -1.0 2.0
   50    44    67    33   0.20000  1.0 3.0
   50    44    67    64   0.56750  1.0 1.0
   50    44    67    64  -0.07550 -1.0 2.0
   50    44    67    64   0.20000  1.0 3.0
   50    44    67    68   0.62750  1.0 1.0
   50    44    67    68  -0.30950 -1.0 2.0
   50    44    67    68   0.27300  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   45    62    43    41   4.00000 -1.0 2.0
   54    46    45    43   1.10000 -1.0 2.0
   59    55    54    45   1.10000 -1.0 2.0
   59    63    62    43   1.10000 -1.0 2.0
   64    73    65    66  10.50000 -1.0 2.0
   93    96    94    95  10.50000 -1.0 2.0
END
