* LIGAND DATABASE FILE (OPLS2005)
*
001     107   111    214    353     649
    1     0 S   NP   _N1_     1    28.14572    96.93924   -23.93872
    2     1 S   H    _HN1     2     1.02778   111.19077  -109.43771
    3     1 S   H    _H1_     3     1.02957    73.72560    -5.64997
    4     1 S   H    _H2_     4     1.02837    34.40255   159.59323
    5     1 S   CT   _CA1     5     1.50149   131.84491    97.40448
    6     5 S   HC   _HA1     6     1.09576   105.18510    91.51855
    7     5 S   CO3  _C1_     7     1.53770   112.32470   -28.61843
    8     7 S   O2Z  _O11     8     1.26369   114.98568   -44.08098
    9     7 S   O2Z  _O12     9     1.26230   114.92648   134.85467
   10     5 S   CT   _CB1    10     1.53083   107.40455  -150.60609
   11    10 S   HC   HB11    11     1.09831   109.28046   -50.28347
   12    10 S   HC   HB12    12     1.09814   110.45178    66.25266
   13    10 S   CT   _CG1    13     1.53042   112.71409  -171.33381
   14    13 S   HC   HG11    14     1.09589   110.53756   -65.61246
   15    13 S   HC   HG12    15     1.09661   109.87585    53.60825
   16    13 S   C    _CD1    16     1.51862   112.22162   173.94262
   17    16 S   O    _OE1    17     1.22771   123.25102     3.13232
   18    16 S   N    _N2_    18     1.38574   111.81249  -176.84942
   19    18 S   H    _HN2    19     1.01566   119.10466     3.67493
   20    18 S   CT1  _CA2    20     1.45810   122.75569   177.38895
   21    20 S   HC   _HA2    21     1.09741   108.83328    26.12179
   22    20 S   C    _C2_    22     1.52985   107.13700   -90.80844
   23    22 S   O    _O2_    23     1.22969   123.11886   -25.88556
   24    20 S   CT   _CB2    32     1.53186   112.38118   149.28514
   25    24 S   HC   HB21    33     1.09601   110.30755    53.88432
   26    24 S   HC   HB22    34     1.09417   109.97528   172.71546
   27    22 S   N    _N3_    24     1.38520   112.49962   156.79945
   28    27 S   H    _HN3    25     1.01653   120.32407    -2.26019
   29    24 S   S    _SG2    35     1.82592   111.21856   -66.68294
   30    27 S   CT   _CA3    26     1.45348   122.54041   178.49793
   31    30 S   HC   HA31    27     1.09565   107.87672   -54.42818
   32    30 S   HC   HA32    28     1.09560   107.56123    61.92711
   33    29 S   CT   _C22    36     1.86035    99.60349  -178.10938
   34    33 S   HC   _H8_    37     1.09793   104.90150   -31.12019
   35    30 S   CO3  _C3_    29     1.52900   114.28646  -176.35175
   36    35 S   O2Z  _O31    30     1.26341   116.05494     0.52227
   37    35 S   O2Z  _O32    31     1.26434   114.41494  -179.53061
   38    33 S   CT   _C21    38     1.53966   107.23478    83.24176
   39    38 S   HC   _H26    39     1.09717   110.65222    59.71543
   40    38 S   HC   _H27    40     1.09668   109.56107   -56.82499
   41    38 S   CT   _C20    41     1.53574   112.84513  -177.23190
   42    41 S   HC   _H7_    42     1.09513   107.10483    66.02878
   43    41 S   CT   _C19    43     1.55502   111.51604   -53.96056
   44    43 S   HC   _H6_    44     1.09925   106.75516   -61.55957
   45    43 S   CT   _C18    45     1.55282   111.47895  -174.79549
   46    45 S   HC   _H24    46     1.09328   110.81134   -72.37843
   47    45 S   HC   _H25    47     1.09602   109.75933   170.68656
   48    43 S   CT   _C24    91     1.57857   111.77173    55.64165
   49    45 S   CT   _C17    48     1.54066   113.77348    50.27790
   50    49 S   HC   _H22    49     1.09751   108.71660    68.78690
   51    49 S   HC   _H23    50     1.09493   107.90136  -176.00203
   52    48 S   CO4  _C25    92     1.55242   108.19087  -176.68388
   53    52 S   O    _O35    93     1.23241   122.72716   -94.08786
   54    48 S   CT   _C29   104     1.56098   110.21274    66.91153
   55    54 S   HC   _H31   105     1.09257   112.86331   -63.23277
   56    54 S   HC   _H32   106     1.09641   111.58149   175.51175
   57    54 S   HC   _H33   107     1.09442   112.06113    57.83724
   58    49 S   CT   _C16    51     1.54040   112.26931   -53.22728
   59    52 S   CM   _C26    94     1.48148   119.37089    82.48078
   60    59 S   HC   _H28    95     1.08350   117.70540  -169.40801
   61    41 S   CT   _C15    52     1.53557   111.13246  -175.27926
   62    61 S   HC   _H5_    53     1.10351   105.99737    64.98945
   63    58 S   CT   _C30    87     1.54462   109.46093   -67.38928
   64    63 S   HC   _H34    88     1.09380   112.65780  -179.79826
   65    63 S   HC   _H35    89     1.09319   112.80746    59.86592
   66    63 S   HC   _H36    90     1.09519   110.57960   -59.07249
   67    59 S   CM   _C27    96     1.33457   120.79896     9.90594
   68    67 S   HC   _H29    97     1.08720   118.32650  -177.88456
   69    61 S   CT   _C14    54     1.52389   118.63805   -53.18621
   70    69 S   HC   _H20    55     1.09505   111.69966    81.03346
   71    69 S   HC   _H21    56     1.09599   111.56289   -39.43352
   72    67 S   CT   _C28    98     1.50141   124.63339     2.11729
   73    72 S   HC   _H9_    99     1.09453   105.96498  -106.67180
   74    69 S   CT   _C13    57     1.53848   104.61252  -158.69708
   75    74 S   HC   _H18    58     1.09098   106.75669   122.35758
   76    74 S   HC   _H19    59     1.09461   111.60132  -119.62269
   77    33 S   CT   _C23   100     1.57934   115.75466  -150.80288
   78    77 S   OM   _O37   101     1.33204   107.81966    62.67024
   79    72 S   OH   _O36   102     1.43126   106.85607   141.35409
   80    79 S   HO   _H30   103     0.97456   105.90998  -105.44221
   81    58 S   CT   _C12    60     1.56843   116.31053   164.76756
   82    81 S   HC   _H4_    61     1.10285   104.31641   -47.03097
   83    81 S   CT   _C10    62     1.56778   121.21374    70.41220
   84    83 S   CT   _C8_    63     1.56307   117.26421    82.39681
   85    84 S   HC   _H3_    64     1.09402   109.13969   -42.26637
   86    83 S   CT   _C11    81     1.54332   109.18470  -151.30377
   87    86 S   HC   _H15    82     1.09603   110.99769   177.60330
   88    86 S   HC   _H16    83     1.09429   112.02094   -60.46172
   89    86 S   HC   _H17    84     1.09662   111.10339    60.18019
   90    83 S   OH   _O38    85     1.43867   106.91462   -37.38817
   91    90 S   HO   _H37    86     0.97234   108.22194   -63.32274
   92    84 S   CT   _C9_    65     1.53044   116.74499    84.10663
   93    92 S   HC   _H13    66     1.09678   111.79108    61.08528
   94    92 S   HC   _H14    67     1.09019   111.91014   -59.31956
   95    92 S   CM   _C5_    68     1.50850   108.55454   178.99206
   96    95 S   CM   _C6_    69     1.34835   119.98853   -33.04955
   97    95 S   CT   _C4_    77     1.50287   114.68911   147.60899
   98    97 S   HC   _H10    78     1.09478   110.10720   -69.38509
   99    97 S   HC   _H11    79     1.09212   113.54536   169.20541
  100    97 S   HC   _H12    80     1.09562   109.94391    49.87922
  101    96 S   CO4  _C7_    70     1.49244   118.86989    -4.90864
  102   101 S   O    _O33    71     1.22665   121.54209  -163.08154
  103    96 S   CT   _C31    73     1.50062   126.01825   177.89569
  104   103 S   HC   _H38    74     1.09470   110.32282   102.93443
  105   103 S   HC   _H39    75     1.09267   113.05236   -18.61325
  106   103 S   HC   _H40    76     1.09584   110.42832  -137.32951
  107    84 S   OS   _O34    72     1.45628   108.14223  -156.95908
  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
  17   8   2   1   1  15   6   5  20   8  22   9  13   6   5  16
  14   5   4  12   5   7   3   2   1  18   7   3  14   6   8   3
   2   1   7   4   8   5   4   5   4   8   4   3   3   1   1   1
  12   4  14  16   8   7   3   2   1   3   1  11   5   4  12  11
   5   2   1   1   6   2   4   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    77    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    48    72    77    78  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    61    48    52    67    72    73    77    78    79    54  
   38    39    40    41    48    72    77    78  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    58    61    62    69    48    72    77    78  
   40    41    42    43    61    77  
   41    42    43    61    77  
   42    43    44    45    46    47    49    58    61    62    69    70    71    74    81    63    48    52    77    54  
   43    44    45    58    61    62    69    48  
   44    45    46    47    49    50    51    58    61    62    69    48    52    53    59    72    77    78    54    55    56    57  
   45    46    47    49    61    48    52    77    54  
   46    47    49    50    51    58    61    81    63    48    52    77    54  
   47    49    50    51    58    48  
   49    50    51    58    48  
   52    53    59    60    67    72    73    77    78    79    54    55    56    57    49    61  
   50    51    58    61    62    69    74    81    82    83    63    64    65    66  
   51    58    61    81    63  
   58    61    81    63  
   53    59    60    67    68    72    77    78    54    55    56    57  
   59    60    67    77    54  
   55    56    57    59    72    77    78  
   56    57    77  
   57    77  
   77  
   61    62    69    70    71    74    75    76    81    82    83    84    86    90    63    64    65    66  
   60    67    68    72    73    77    79  
   67    68    72  
   62    69    70    71    74    75    76    81    82    83    63    64    65    66  
   69    70    71    74    81    63  
   64    65    66    69    74    81    82    83  
   65    66    81  
   66    81  
   81  
   68    72    73    77    78    79    80  
   72    73    77    79  
   70    71    74    75    76    81    82    83  
   71    74    75    76    81  
   74    75    76    81  
   73    77    78    79    80  
   77    78    79    80  
   75    76    81    82    83    84    86    90  
   76    81    82    83  
   81    82    83  
   78    79    80  
   79  
   80  
    0  
   82    83    84    85    92   107    86    87    88    89    90    91  
   83    84    86    90  
   84    85    92    93    94    95   101   107    86    87    88    89    90    91  
   85    92    93    94    95    96   101   102   107    97    86    87    88    89    90    91  
   92    93    94    95   101   107    86    90  
   87    88    89    90    91    92   107  
   88    89    90  
   89    90  
   90  
   91    92   107  
    0  
   93    94    95    96   101   107   103    97    98    99   100  
   94    95    96   107    97  
   95    96   107    97  
   96   101   102   107   103   104   105   106    97    98    99   100  
  101   102   107   103   104   105   106    97    98    99   100  
   98    99   100   101   103  
   99   100  
  100  
    0  
  102   107   103   104   105   106  
  107   103  
  104   105   106   107  
  105   106  
  106  
    0  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.120000   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   84   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   91   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   96   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  102   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    77   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   268.000  1.529
   41    61   268.000  1.529
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    48   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    58   268.000  1.529
   58    61   268.000  1.529
   58    81   268.000  1.529
   58    63   268.000  1.529
   61    62   340.000  1.090
   61    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    81   268.000  1.529
   81    82   340.000  1.090
   81    83   268.000  1.529
   83    84   268.000  1.529
   83    86   268.000  1.529
   83    90   320.000  1.410
   84    85   340.000  1.090
   84    92   268.000  1.529
   84   107   320.000  1.410
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   317.000  1.510
   95    96   549.000  1.340
   95    97   317.000  1.510
   96   101   320.000  1.462
   96   103   317.000  1.510
  101   102   570.000  1.229
  101   107   214.000  1.327
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   90    91   553.000  0.945
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   48    52   317.000  1.522
   48    77   268.000  1.529
   48    54   268.000  1.529
   52    53   570.000  1.229
   52    59   320.000  1.462
   59    60   340.000  1.080
   59    67   549.000  1.340
   67    68   340.000  1.080
   67    72   317.000  1.510
   72    73   340.000  1.090
   72    77   268.000  1.529
   72    79   320.000  1.410
   77    78   570.000  1.307
   79    80   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    77    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    77    48    58.35000  112.70000
   33    77    72    58.35000  112.70000
   33    77    78    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    61    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    44    37.50000  110.70000
   41    43    45    58.35000  112.70000
   41    43    48    58.35000  112.70000
   41    61    58    58.35000  112.70000
   41    61    62    37.50000  110.70000
   41    61    69    58.35000  112.70000
   43    41    42    37.50000  110.70000
   43    45    46    37.50000  110.70000
   43    45    47    37.50000  110.70000
   43    45    49    58.35000  112.70000
   43    48    52    63.00000  111.10000
   43    48    77    58.35000  112.70000
   43    48    54    58.35000  112.70000
   45    43    44    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    58    58.35000  112.70000
   47    45    46    33.00000  107.80000
   49    45    46    37.50000  110.70000
   49    45    47    37.50000  110.70000
   49    58    61    58.35000  112.70000
   49    58    81    58.35000  112.70000
   49    58    63    58.35000  112.70000
   51    49    50    33.00000  107.80000
   58    49    50    37.50000  110.70000
   58    49    51    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    69    58.35000  112.70000
   58    81    74    58.35000  112.70000
   58    81    82    37.50000  110.70000
   58    81    83    58.35000  112.70000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    66    37.50000  110.70000
   61    41    42    37.50000  110.70000
   61    41    43    58.35000  112.70000
   61    69    70    37.50000  110.70000
   61    69    71    37.50000  110.70000
   61    69    74    58.35000  112.70000
   69    61    62    37.50000  110.70000
   69    74    75    37.50000  110.70000
   69    74    76    37.50000  110.70000
   69    74    81    58.35000  112.70000
   71    69    70    33.00000  107.80000
   74    69    70    37.50000  110.70000
   74    69    71    37.50000  110.70000
   74    81    82    37.50000  110.70000
   74    81    83    58.35000  112.70000
   76    74    75    33.00000  107.80000
   81    58    61    58.35000  112.70000
   81    74    75    37.50000  110.70000
   81    74    76    37.50000  110.70000
   81    83    84    58.35000  112.70000
   81    83    86    58.35000  112.70000
   81    83    90    50.00000  109.50000
   83    81    82    37.50000  110.70000
   83    84    85    37.50000  110.70000
   83    84    92    58.35000  112.70000
   83    84   107    50.00000  109.50000
   83    86    87    37.50000  110.70000
   83    86    88    37.50000  110.70000
   83    86    89    37.50000  110.70000
   83    90    91    55.00000  108.50000
   84    92    93    37.50000  110.70000
   84    92    94    37.50000  110.70000
   84    92    95    70.00000  112.02700
   84   107   101    83.00000  116.90000
   92    84    85    37.50000  110.70000
   92    95    96    70.00000  124.00000
   92    95    97    65.00000  117.92700
   94    92    93    33.00000  107.80000
   95    92    93    35.00000  109.50000
   95    92    94    35.00000  109.50000
   95    96   101    65.00000  118.96000
   95    96   103    70.00000  124.00000
   95    97    98    35.00000  109.50000
   95    97    99    35.00000  109.50000
   95    97   100    35.00000  109.50000
   96   101   102    80.00000  123.72100
   96   101   107    90.00000  111.29400
   96   103   104    35.00000  109.50000
   96   103   105    35.00000  109.50000
   96   103   106    35.00000  109.50000
  107    84    85    35.00000  109.50000
  107    84    92    50.00000  109.50000
  107   101   102    83.00000  123.40000
  103    96   101    65.00000  116.34900
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
   97    95    96    70.00000  124.00000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   86    83    84    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   90    83    84    50.00000  109.50000
   90    83    86    50.00000  109.50000
   63    58    61    58.35000  112.70000
   63    58    81    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    58.35000  112.70000
   48    52    53    80.00000  120.40000
   48    52    59    65.00000  118.62400
   48    77    72    58.35000  112.70000
   48    77    78    50.00000  109.50000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    57    37.50000  110.70000
   52    59    60    40.00000  117.72500
   52    59    67    65.00000  118.96000
   59    52    53    80.00000  123.72100
   59    67    68    35.00000  120.00000
   59    67    72    70.00000  124.00000
   67    59    60    35.00000  120.00000
   67    72    73    35.00000  109.50000
   67    72    77    70.00000  112.02700
   67    72    79    90.00000  110.39200
   72    67    68    35.00000  117.00000
   72    77    78    50.00000  109.50000
   72    79    80    55.00000  108.50000
   77    33    34    37.50000  110.70000
   77    33    38    58.35000  112.70000
   77    48    52    63.00000  111.10000
   77    72    73    37.50000  110.70000
   79    72    73    35.00000  109.50000
   79    72    77    50.00000  109.50000
   54    48    52    63.00000  111.10000
   54    48    77    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
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
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  103    96   101   102  -0.64400  1.0 1.0
  103    96   101   102   0.26850 -1.0 2.0
  103    96   101   107  -0.15000  1.0 1.0
  103    96   101   107   0.89550 -1.0 2.0
  103    96   101   107  -0.06900  1.0 3.0
   97    95    96   101   7.00000 -1.0 2.0
   97    95    96   103   7.00000 -1.0 2.0
   86    83    84    85   0.15000  1.0 3.0
   86    83    84    92   0.56750  1.0 1.0
   86    83    84    92  -0.07550 -1.0 2.0
   86    83    84    92   0.20000  1.0 3.0
   86    83    84   107   0.62750  1.0 1.0
   86    83    84   107  -0.30950 -1.0 2.0
   86    83    84   107   0.27300  1.0 3.0
   86    83    90    91  -0.11600  1.0 1.0
   86    83    90    91  -0.09450 -1.0 2.0
   86    83    90    91   0.21250  1.0 3.0
   90    83    84    85   0.23400  1.0 3.0
   90    83    84    92   0.86500  1.0 1.0
   90    83    84    92  -0.17500 -1.0 2.0
   90    83    84    92   0.20800  1.0 3.0
   90    83    84   107   3.69350  1.0 1.0
   90    83    84   107  -1.82950 -1.0 2.0
   90    83    86    87   0.23400  1.0 3.0
   90    83    86    88   0.23400  1.0 3.0
   90    83    86    89   0.23400  1.0 3.0
   63    58    61    41   0.56750  1.0 1.0
   63    58    61    41  -0.07550 -1.0 2.0
   63    58    61    41   0.20000  1.0 3.0
   63    58    61    62   0.15000  1.0 3.0
   63    58    61    69   0.56750  1.0 1.0
   63    58    61    69  -0.07550 -1.0 2.0
   63    58    61    69   0.20000  1.0 3.0
   63    58    81    74   0.56750  1.0 1.0
   63    58    81    74  -0.07550 -1.0 2.0
   63    58    81    74   0.20000  1.0 3.0
   63    58    81    82   0.15000  1.0 3.0
   63    58    81    83   0.56750  1.0 1.0
   63    58    81    83  -0.07550 -1.0 2.0
   63    58    81    83   0.20000  1.0 3.0
   48    43    45    46   0.15000  1.0 3.0
   48    43    45    47   0.15000  1.0 3.0
   48    43    45    49   0.56750  1.0 1.0
   48    43    45    49  -0.07550 -1.0 2.0
   48    43    45    49   0.20000  1.0 3.0
   48    52    59    60   0.04550  1.0 1.0
   48    52    59    60   0.83000 -1.0 2.0
   48    52    59    60  -0.04000  1.0 3.0
   48    52    59    67  -0.33500  1.0 1.0
   48    52    59    67   1.06600 -1.0 2.0
   48    52    59    67  -0.14000  1.0 3.0
   52    48    77    33  -0.95700  1.0 1.0
   52    48    77    33  -0.18200 -1.0 2.0
   52    48    77    33   0.29450  1.0 3.0
   52    48    77    72  -0.95700  1.0 1.0
   52    48    77    72  -0.18200 -1.0 2.0
   52    48    77    72   0.29450  1.0 3.0
   52    48    77    78  -0.09450  1.0 1.0
   52    48    77    78  -1.12950 -1.0 2.0
   52    48    77    78   0.54000  1.0 3.0
   52    48    54    55  -0.11250  1.0 3.0
   52    48    54    56  -0.11250  1.0 3.0
   52    48    54    57  -0.11250  1.0 3.0
   52    59    67    68   7.00000 -1.0 2.0
   52    59   -67    72   7.00000 -1.0 2.0
   53    52    59    60   0.00000  1.0 1.0
   53    52    59    67   1.00000 -1.0 2.0
   59    67    72    73   0.00000  1.0 1.0
   59    67    72    77   0.09850  1.0 1.0
   59    67    72    77   0.15250 -1.0 2.0
   59    67    72    77  -0.50650  1.0 3.0
   59    67    72    79   0.67800  1.0 1.0
   59    67    72    79   0.47050 -1.0 2.0
   59    67    72    79  -0.62500  1.0 3.0
   60    59    67    68   7.00000 -1.0 2.0
   60    59    67    72   7.00000 -1.0 2.0
   67    72    77    33   0.34400  1.0 1.0
   67    72    77    33   0.09450 -1.0 2.0
   67    72    77    33   0.11100  1.0 3.0
   67    72   -77    48   0.34400  1.0 1.0
   67    72   -77    48   0.09450 -1.0 2.0
   67    72   -77    48   0.11100  1.0 3.0
   67    72    77    78   0.61850  1.0 1.0
   67    72    77    78  -0.22750 -1.0 2.0
   67    72    77    78   0.15300  1.0 3.0
   67    72    79    80  -0.07800  1.0 1.0
   67    72    79    80  -0.21500 -1.0 2.0
   67    72    79    80  -0.03150  1.0 3.0
   68    67    72    73   0.33100  1.0 3.0
   68    67    72    77   0.00000  1.0 1.0
   68    67    72    79   0.00000  1.0 1.0
   73    72    77    33   0.15000  1.0 3.0
   73    72    77    48   0.15000  1.0 3.0
   73    72    77    78   0.23400  1.0 3.0
   73    72    79    80   0.19450  1.0 3.0
   77    33    38    39   0.15000  1.0 3.0
   77    33    38    40   0.15000  1.0 3.0
   77    33   -38    41   0.56750  1.0 1.0
   77    33   -38    41  -0.07550 -1.0 2.0
   77    33   -38    41   0.20000  1.0 3.0
   77    48    52    53   0.30150 -1.0 2.0
   77    48   -52    59   0.65300  1.0 1.0
   77    48   -52    59  -0.03850 -1.0 2.0
   77    48   -52    59   0.33900  1.0 3.0
   77    48    54    55   0.15000  1.0 3.0
   77    48    54    56   0.15000  1.0 3.0
   77    48    54    57   0.15000  1.0 3.0
   77    72    79    80  -0.11600  1.0 1.0
   77    72    79    80  -0.09450 -1.0 2.0
   77    72    79    80   0.21250  1.0 3.0
   79    72    77    33   0.86500  1.0 1.0
   79    72    77    33  -0.17500 -1.0 2.0
   79    72    77    33   0.20800  1.0 3.0
   79    72    77    48   0.86500  1.0 1.0
   79    72    77    48  -0.17500 -1.0 2.0
   79    72    77    48   0.20800  1.0 3.0
   79    72    77    78   3.69350  1.0 1.0
   79    72    77    78  -1.82950 -1.0 2.0
   54    48    52    53   0.30150 -1.0 2.0
   54    48    52    59   0.65300  1.0 1.0
   54    48    52    59  -0.03850 -1.0 2.0
   54    48    52    59   0.33900  1.0 3.0
   54    48    77    33   0.56750  1.0 1.0
   54    48    77    33  -0.07550 -1.0 2.0
   54    48    77    33   0.20000  1.0 3.0
   54    48    77    72   0.56750  1.0 1.0
   54    48    77    72  -0.07550 -1.0 2.0
   54    48    77    72   0.20000  1.0 3.0
   54    48    77    78   0.62750  1.0 1.0
   54    48    77    78  -0.30950 -1.0 2.0
   54    48    77    78   0.27300  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
   92    97    95    96   1.10000 -1.0 2.0
  101   103    96    95   1.10000 -1.0 2.0
   96   107   101   102  10.50000 -1.0 2.0
   48    59    52    53  10.50000 -1.0 2.0
   52    60    59    67   1.10000 -1.0 2.0
   72    68    67    59   1.10000 -1.0 2.0
END
