* LIGAND DATABASE FILE (OPLS2005)
*
001     115   118    212    331     613
    1     0 S   NP   _N1_     1    29.02616    97.47882   -23.57658
    2     1 S   H    _HN1     2     1.02777   105.16234   -87.41234
    3     1 S   H    _H1_     3     1.02949    68.18132    16.68980
    4     1 S   H    _H2_     4     1.02825    42.19225   172.45540
    5     1 S   CT   _CA1     5     1.50108   140.27610   112.70856
    6     5 S   HC   _HA1     6     1.09576   105.18193    97.51898
    7     5 S   CO3  _C1_     7     1.53796   112.52512   -22.64077
    8     7 S   O2Z  _O11     8     1.26368   114.96658   -40.94125
    9     7 S   O2Z  _O12     9     1.26248   114.93636   138.17043
   10     5 S   CT   _CB1    10     1.53088   107.42365  -144.52287
   11    10 S   HC   HB11    11     1.09827   109.33720   -50.19351
   12    10 S   HC   HB12    12     1.09811   110.46488    66.43738
   13    10 S   CT   _CG1    13     1.52941   112.55699  -171.21271
   14    13 S   HC   HG11    14     1.09572   110.50566   -66.59771
   15    13 S   HC   HG12    15     1.09673   109.81881    52.57937
   16    13 S   C    _CD1    16     1.51789   112.38639   173.09397
   17    16 S   O    _OE1    17     1.22711   123.36110     6.62774
   18    16 S   N    _N2_    18     1.38583   111.51751  -173.55554
   19    18 S   H    _HN2    19     1.01582   118.85213     1.37302
   20    18 S   CT1  _CA2    20     1.46171   123.62716   178.04315
   21    20 S   HC   _HA2    21     1.09729   109.46906    -1.38790
   22    20 S   C    _C2_    22     1.53490   108.40115  -116.89327
   23    22 S   O    _O2_    23     1.23045   122.32562  -147.99989
   24    20 S   CT   _CB2    32     1.53339   111.26924   120.84631
   25    24 S   HC   HB21    33     1.09424   109.62908    55.08456
   26    24 S   HC   HB22    34     1.09489   110.25108   173.76624
   27    22 S   N    _N3_    24     1.38345   113.60469    39.46643
   28    27 S   H    _HN3    25     1.01609   119.53041    -3.46419
   29    24 S   S    _SG2    35     1.82995   111.14740   -67.23478
   30    27 S   CT   _CA3    26     1.45282   123.20684   177.09431
   31    30 S   HC   HA31    27     1.09549   107.51815   -64.39594
   32    30 S   HC   HA32    28     1.09557   107.97095    52.03548
   33    29 S   CT   _C22    36     1.84875   101.75010   156.10773
   34    30 S   CO3  _C3_    29     1.52954   114.08855   174.03274
   35    34 S   O2Z  _O31    30     1.26373   116.06846    -0.42011
   36    34 S   O2Z  _O32    31     1.26428   114.41312   179.63684
   37    33 S   CT   _C23    37     1.56372   114.41861   -62.85734
   38    37 S   HC   _H5_    38     1.09742   110.29163    93.33217
   39    33 S   CT   _C27   112     1.55068   107.73244    58.85185
   40    39 S   HC   _H20   113     1.09650   111.43324    55.97565
   41    39 S   HC   _H21   114     1.09495   112.28237   -65.60540
   42    39 S   HC   _H22   115     1.09664   111.43234   175.30573
   43    37 S   C    _C24    39     1.52055   102.88439  -152.11364
   44    43 S   O    _O34    40     1.22222   125.70704  -164.49598
   45    37 S   CM   _C25   107     1.50604   118.42131   -35.29554
   46    45 S   HC   _H17   108     1.08599   118.58566   -48.92511
   47    43 S   N    _N7_    41     1.38549   108.09281    16.92243
   48    47 S   H    _H16    42     1.01518   122.39951   178.94316
   49    45 S   CM   _C26   109     1.33874   123.70136   131.72316
   50    49 S   HC   _H18   110     1.08523   120.33866   179.45500
   51    49 S   HC   _H19   111     1.08432   121.69469    -0.20842
   52    33 S   CT   _C21    43     1.56016   113.74213   178.24142
   53    52 S   HC   _H4_    44     1.09755   110.51850   -93.75446
   54    52 S   CT   _C20    45     1.53738   118.36589    32.18054
   55    54 S   HC   _H14    46     1.09471   111.82798    64.42218
   56    54 S   HC   _H15    47     1.09279   111.55341   -56.16650
   57    54 S   CD   _C19    48     1.50911   110.21706  -176.00556
   58    57 S   CM   _C18    49     1.46906   122.96996    95.17575
   59    58 S   CM   _C17    50     1.34174   101.51640  -178.53046
   60    58 S   CT   _C28   103     1.47759   125.71493     1.12848
   61    60 S   HC   _H23   104     1.09443   110.51545   -59.27926
   62    60 S   HC   _H24   105     1.09348   112.19149  -179.51665
   63    60 S   HC   _H25   106     1.09448   110.47122    60.71497
   64    59 S   CM   _C16    51     1.45793   109.99091     0.23490
   65    59 S   CT   _C29    94     1.50087   125.94553   177.73341
   66    65 S   HC   _H26    95     1.09705   110.12603  -139.13131
   67    65 S   HC   _H27    96     1.09738   109.69845   -24.46375
   68    57 S   NI   _N6_    52     1.30099   121.91475   -82.92686
   69    64 S   CM   _C15    53     1.34574   126.83320   179.54889
   70    69 S   HC   _H13    54     1.08629   119.05505     2.55711
   71    65 S   CT   _C30    97     1.52652   112.40854    97.09218
   72    71 S   HC   _H28    98     1.09779   109.64151   -54.15854
   73    71 S   HC   _H29    99     1.09659   110.24590    63.60991
   74    69 S   C5A  _C14    55     1.42623   124.88166  -178.35825
   75    71 S   CO3  _C31   100     1.53245   114.26058  -175.22357
   76    75 S   O2Z  _O36   101     1.26504   114.19496   166.90823
   77    75 S   O2Z  _O35   102     1.26183   116.59322   -13.03068
   78    74 S   C5BC _C13    56     1.39056   133.19104  -165.09068
   79    78 S   C5BC _C12    57     1.44211   107.28228  -179.63523
   80    78 S   CT   _C32    85     1.50262   126.69286     0.69492
   81    80 S   HC   _H30    86     1.09721   108.52357  -134.46673
   82    80 S   HC   _H31    87     1.09602   110.27444   -19.41631
   83    79 S   C5A  _C11    58     1.38504   107.13758    -1.61107
   84    79 S   CT   _C35    81     1.48877   126.61492  -179.72517
   85    84 S   HC   _H34    82     1.09457   110.11658    87.14831
   86    84 S   HC   _H35    83     1.09464   111.34353  -152.79201
   87    84 S   HC   _H36    84     1.09406   111.30109   -33.10857
   88    80 S   CT   _C33    88     1.52594   113.18500   104.70518
   89    88 S   HC   _H32    89     1.09708   109.02682   172.17153
   90    88 S   HC   _H33    90     1.09642   110.65157    55.12517
   91    74 S   NA   _N5_    59     1.37270   119.96292    17.15331
   92    91 S   H    _H12    60     1.01145   124.10658    -0.55988
   93    83 S   CM   _C10    61     1.42007   133.62810   179.86583
   94    93 S   HC   _H11    62     1.08466   115.51065   -41.45705
   95    88 S   CO3  _C34    91     1.53003   113.49499   -68.76811
   96    95 S   O2Z  _O38    92     1.26243   115.61072   -50.79019
   97    95 S   O2Z  _O37    93     1.26382   114.76732   130.52649
   98    93 S   CM   _C9_    63     1.34442   124.47886   135.66446
   99    98 S   CM   _C6_    64     1.45699   128.13125   179.45320
  100    99 S   CT   _C7_    65     1.52207   107.80587   166.37157
  101   100 S   HC   _H3_    66     1.09586   110.81724   125.79276
  102    99 S   CM   _C5_    75     1.34506   130.71771   -20.12008
  103   102 S   HC   _H9_    76     1.08984   117.20897  -178.14913
  104   100 S   C    _C8_    67     1.51585   102.22583    10.44985
  105   104 S   O    _O33    68     1.22195   125.56006   174.59137
  106   100 S   CT   _C36    71     1.52232   113.32957  -108.19669
  107   106 S   HC   _H37    72     1.09620   111.70104    56.46385
  108   106 S   HC   _H38    73     1.09495   111.15913   -64.30676
  109   106 S   HC   _H39    74     1.09556   110.58839   175.83952
  110   102 S   CT   _C4_    77     1.49268   128.94792    -1.19649
  111   110 S   HC   _H6_    78     1.09270   112.58127   -32.17965
  112   110 S   HC   _H7_    79     1.09549   109.32079  -150.13949
  113   110 S   HC   _H8_    80     1.09359   110.57684    91.24073
  114    98 S   N    _N4_    69     1.36955   124.63988    -5.12442
  115   114 S   H    _H10    70     1.01276   123.93114     4.95341
  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
  19   2   1   1  17   8   9   3   2   1   9   4   6   3   7   3
   2   1   1   7   4   8   4   3  10  12  16   6   2   1   1  10
  10   5   4   3   8   3   5   4   3  11   2   1   1  16  14  11
   5   4  11   5   2   1   1   5   4   3   4   1   8   3   2   1
   1  11  16  12   8   8   4   7   3   4   2   1   1   3   2   1
   1   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    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    47    52    53    54    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    47    48    52    53    54    55    56    57    45    46    49    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    47    48    52    53    54    45    46    49    50    51    39    40    41    42  
   43    44    47    52    45    46    49    39  
   40    41    42    43    45    47    52    53    54  
   41    42    52  
   42    52  
   52  
   44    47    48    52    53    54    45    46    49  
   47    48    52    45  
   46    49    50    51    47    52  
   49    50    51  
   48    52    53    54    55    56    57  
   52    53    54  
   50    51  
   51  
    0  
   53    54    55    56    57    58    68  
   54    55    56    57  
   55    56    57    58    59    64    68    60  
   56    57    58    68  
   57    58    68  
   58    59    64    68    69    65    60    61    62    63  
   59    64    68    69    65    66    67    71    60    61    62    63  
   64    68    69    70    74    65    66    67    71    72    73    75    60    61    62    63  
   61    62    63    64    65    68  
   62    63  
   63  
    0  
   68    69    70    74    78    91    65    66    67    71  
   66    67    71    72    73    75    76    77    68    69  
   67    71    72    73    75  
   71    72    73    75  
   69    70    74  
   70    74    78    79    83    91    92    80  
   74    78    91  
   72    73    75    76    77  
   73    75    76    77  
   75    76    77  
   78    79    83    91    92    93    84    80    81    82    88  
   76    77  
   77  
    0  
   79    83    91    92    93    84    85    86    87    80    81    82    88    89    90    95  
   83    91    92    93    94    98    84    85    86    87    80    81    82    88  
   81    82    88    89    90    95    96    97    83    84    91  
   82    88    89    90    95  
   88    89    90    95  
   91    92    93    94    98    99   114    84    85    86    87  
   85    86    87    91    93  
   86    87  
   87  
    0  
   89    90    95    96    97  
   90    95    96    97  
   95    96    97  
   92    93    94    98  
   93  
   94    98    99   100   104   114   115   102  
   98    99   114  
   96    97  
   97  
    0  
   99   100   101   104   105   114   115   106   102   103   110  
  100   101   104   105   114   115   106   107   108   109   102   103   110   111   112   113  
  101   104   105   114   115   106   107   108   109   102   103   110  
  104   105   114   106   107   108   109   102  
  103   110   111   112   113   104   106   114  
  110   111   112   113  
  105   114   115   106   107   108   109  
  114   115   106  
  107   108   109   114  
  108   109  
  109  
    0  
  111   112   113  
  112   113  
  113  
    0  
  115  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   48   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   49   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660  -0.083900   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.7500   0.1050   0.356900   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5500   0.0700  -0.008000   2.0020   1.7750   0.001000000  -0.843144165
   75   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   78   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   79   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.5000   0.0660  -0.005000   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   3.5500   0.0700  -0.008000   2.0020   1.7750   0.001000000  -0.843144165
   84   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   92   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   94   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   95   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   96   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   97   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   98   3.5500   0.0760   0.051300   2.0020   1.7750   0.023028004  -0.852763146
   99   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
  100   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  103   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  104   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
  105   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
  106   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
  115   0.5000   0.0300   0.300000   1.5900   1.4000   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    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    52   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   317.000  1.522
   37    45   317.000  1.510
   43    44   570.000  1.229
   43    47   490.000  1.335
   47    48   434.000  1.010
   47    52   337.000  1.449
   52    53   340.000  1.090
   52    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   270.000  1.508
   57    58   320.000  1.464
   57    68   500.000  1.261
   58    59   549.000  1.340
   58    60   317.000  1.510
   59    64   380.000  1.444
   59    65   317.000  1.510
   64    68   405.000  1.380
   64    69   549.000  1.340
   69    70   340.000  1.080
   69    74   375.000  1.423
   74    78   546.000  1.367
   74    91   427.000  1.381
   78    79   469.000  1.424
   78    80   285.000  1.502
   79    83   546.000  1.367
   79    84   285.000  1.502
   83    91   427.000  1.381
   83    93   375.000  1.423
   91    92   434.000  1.010
   93    94   340.000  1.080
   93    98   549.000  1.340
   98    99   380.000  1.444
   98   114   400.000  1.384
   99   100   317.000  1.510
   99   102   549.000  1.340
  100   101   340.000  1.090
  100   104   317.000  1.522
  100   106   268.000  1.529
  104   105   570.000  1.229
  104   114   490.000  1.335
  114   115   434.000  1.010
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
  102   103   340.000  1.080
  102   110   317.000  1.510
  110   111   340.000  1.090
  110   112   340.000  1.090
  110   113   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    88   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    95   317.000  1.522
   95    96   656.000  1.250
   95    97   656.000  1.250
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    75   317.000  1.522
   75    76   656.000  1.250
   75    77   656.000  1.250
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   45    46   340.000  1.080
   45    49   549.000  1.340
   49    50   340.000  1.080
   49    51   340.000  1.080
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    52    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    37    45    70.00000  112.02700
   33    52    47    70.00000  110.72300
   33    52    53    37.50000  110.70000
   33    52    54    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    47    70.00000  116.60000
   37    45    46    35.00000  117.00000
   37    45    49    70.00000  124.00000
   43    37    38    35.00000  109.50000
   43    47    48    35.00000  119.80000
   43    47    52    50.00000  121.90000
   47    43    44    80.00000  122.90000
   47    52    53    35.00000  109.50000
   47    52    54    70.00000  110.72300
   52    33    37    58.35000  112.70000
   52    47    48    38.00000  118.40000
   52    54    55    37.50000  110.70000
   52    54    56    37.50000  110.70000
   52    54    57    70.00000  111.76100
   54    52    53    37.50000  110.70000
   54    57    58    65.00000  117.24000
   54    57    68    65.00000  122.10100
   56    54    55    33.00000  107.80000
   57    54    55    45.00000  109.49600
   57    54    56    45.00000  109.49600
   57    58    59    60.00000  120.31500
   57    58    60    65.00000  117.22000
   57    68    64    75.00000  115.77100
   58    59    64    70.00000  123.01800
   58    59    65    70.00000  124.00000
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    63    35.00000  109.50000
   59    64    68    70.00000  120.83400
   59    64    69    70.00000  123.01800
   59    65    66    35.00000  109.50000
   59    65    67    35.00000  109.50000
   59    65    71    70.00000  112.02700
   64    69    70    35.00000  120.00000
   64    69    74    55.00000  128.24000
   68    57    58    70.00000  121.86000
   69    64    68    70.00000  120.83400
   69    74    78    50.00000  133.16000
   69    74    91    70.00000  120.38000
   74    69    70    40.00000  117.26300
   74    78    79    70.00000  107.30000
   74    78    80    60.00000  130.00000
   74    91    83    70.00000  109.80000
   74    91    92    35.00000  120.00000
   78    79    83    70.00000  107.30000
   78    79    84    60.00000  130.00000
   78    80    81    35.00000  109.50000
   78    80    82    35.00000  109.50000
   78    80    88    70.00000  112.17500
   79    83    91    70.00000  107.70000
   79    83    93    50.00000  133.16000
   79    84    85    35.00000  109.50000
   79    84    86    35.00000  109.50000
   79    84    87    35.00000  109.50000
   83    91    92    35.00000  120.00000
   83    93    94    40.00000  117.26300
   83    93    98    55.00000  128.24000
   91    74    78    70.00000  107.70000
   93    83    91    70.00000  120.38000
   93    98    99    70.00000  123.01800
   93    98   114    75.00000  120.83300
   98    93    94    35.00000  120.00000
   98    99   100    70.00000  124.00000
   98    99   102    70.00000  123.01800
   98   114   104    70.00000  120.89900
   98   114   115    45.00000  117.55000
   99   100   101    35.00000  109.50000
   99   100   104    70.00000  115.00700
   99   100   106    70.00000  112.02700
   99   102   103    35.00000  120.00000
   99   102   110    70.00000  124.00000
  100   104   105    80.00000  120.40000
  100   104   114    70.00000  116.60000
  100   106   107    37.50000  110.70000
  100   106   108    37.50000  110.70000
  100   106   109    37.50000  110.70000
  104   100   101    35.00000  109.50000
  104   114   115    35.00000  119.80000
  114    98    99    75.00000  120.83300
  114   104   105    80.00000  122.90000
  106   100   101    37.50000  110.70000
  106   100   104    63.00000  111.10000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    33.00000  107.80000
  102    99   100    70.00000  124.00000
  102   110   111    35.00000  109.50000
  102   110   112    35.00000  109.50000
  102   110   113    35.00000  109.50000
  110   102   103    35.00000  117.00000
  112   110   111    33.00000  107.80000
  113   110   111    33.00000  107.80000
  113   110   112    33.00000  107.80000
   84    79    83    60.00000  130.00000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   80    78    79    60.00000  130.00000
   80    88    89    37.50000  110.70000
   80    88    90    37.50000  110.70000
   80    88    95    70.00000  109.69300
   82    80    81    33.00000  107.80000
   88    80    81    37.50000  110.70000
   88    80    82    37.50000  110.70000
   88    95    96    70.00000  117.00000
   88    95    97    70.00000  117.00000
   90    88    89    33.00000  107.80000
   95    88    89    35.00000  109.50000
   95    88    90    35.00000  109.50000
   97    95    96    80.00000  126.00000
   65    59    64    70.00000  124.00000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    75    70.00000  109.69300
   67    65    66    33.00000  107.80000
   71    65    66    37.50000  110.70000
   71    65    67    37.50000  110.70000
   71    75    76    70.00000  117.00000
   71    75    77    70.00000  117.00000
   73    71    72    33.00000  107.80000
   75    71    72    35.00000  109.50000
   75    71    73    35.00000  109.50000
   77    75    76    80.00000  126.00000
   60    58    59    70.00000  124.00000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   45    37    38    35.00000  109.50000
   45    37    43    70.00000  115.00700
   45    49    50    35.00000  120.00000
   45    49    51    35.00000  120.00000
   49    45    46    35.00000  120.00000
   51    49    50    35.00000  117.00000
   39    33    37    58.35000  112.70000
   39    33    52    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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
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   39    33    37    45   0.11100  1.0 3.0
   39    33    52    47   0.43900  1.0 1.0
   39    33    52    47   0.49100 -1.0 2.0
   39    33    52    47   0.28400  1.0 3.0
   39    33    52    53   0.15000  1.0 3.0
   39    33    52    54   0.56750  1.0 1.0
   39    33    52    54  -0.07550 -1.0 2.0
   39    33    52    54   0.20000  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
   37    47    43    44  10.50000 -1.0 2.0
   48    43    47    52   1.00000 -1.0 2.0
   54    58    57    68  10.50000 -1.0 2.0
   57    60    58    59   1.10000 -1.0 2.0
   64    65    59    58   1.10000 -1.0 2.0
   59    68    64    69   1.10000 -1.0 2.0
   74    70    69    64   1.10000 -1.0 2.0
   78    91    74    69   4.00000 -1.0 2.0
   79    80    78    74   4.00000 -1.0 2.0
   83    84    79    78   4.00000 -1.0 2.0
   93    91    83    79   4.00000 -1.0 2.0
   92    74    91    83   1.00000 -1.0 2.0
   83    94    93    98   1.10000 -1.0 2.0
   99   114    98    93   1.10000 -1.0 2.0
   98   100    99   102   1.10000 -1.0 2.0
  100   114   104   105  10.50000 -1.0 2.0
  115   104   114    98   1.00000 -1.0 2.0
  110   103   102    99   1.10000 -1.0 2.0
   96    88    95    97  10.50000 -1.0 2.0
   76    71    75    77  10.50000 -1.0 2.0
   37    46    45    49  15.00000 -1.0 2.0
   50    51    49    45  15.00000 -1.0 2.0
END
