* LIGAND DATABASE FILE (OPLS2005)
*
001     107   112    222    372     675
    1     0 S   NP   _N1_     1    28.45310    94.70663   -21.30245
    2     1 S   H    _HN1     2     1.02773    91.52317   -90.41192
    3     1 S   H    _H1_     3     1.02951    86.38410    17.95015
    4     1 S   H    _H2_     4     1.02828    32.74474   147.71025
    5     1 S   CT   _CA1     5     1.50164   143.12585   137.69449
    6     5 S   HC   _HA1     6     1.09560   105.18263    65.00022
    7     5 S   CO3  _C1_     7     1.53818   112.45045   -55.23283
    8     7 S   O2Z  _O11     8     1.26379   114.92799   -37.84989
    9     7 S   O2Z  _O12     9     1.26223   115.01573   141.25820
   10     5 S   CT   _CB1    10     1.53086   107.41188  -176.82294
   11    10 S   HC   HB11    11     1.09827   109.49277   -47.10927
   12    10 S   HC   HB12    12     1.09824   110.36001    69.54358
   13    10 S   CT   _CG1    13     1.53004   112.67729  -168.04084
   14    13 S   HC   HG11    14     1.09541   110.61671   -63.64819
   15    13 S   HC   HG12    15     1.09660   109.89199    55.56622
   16    13 S   C    _CD1    16     1.51817   112.23049   175.87868
   17    16 S   O    _OE1    17     1.22738   123.26146     1.47419
   18    16 S   N    _N2_    18     1.38640   111.67533  -178.58031
   19    18 S   H    _HN2    19     1.01590   118.99599     1.13712
   20    18 S   CT1  _CA2    20     1.46257   123.35641   179.30564
   21    20 S   HC   _HA2    21     1.09746   109.32765    -6.72925
   22    20 S   C    _C2_    22     1.53436   108.55546  -122.21101
   23    22 S   O    _O2_    23     1.23048   122.35424  -148.45490
   24    20 S   CT   _CB2    32     1.53581   111.65881   115.26374
   25    24 S   HC   HB21    33     1.09498   109.20257    56.13030
   26    24 S   HC   HB22    34     1.09211   109.60389   174.86729
   27    22 S   N    _N3_    24     1.38355   113.51195    39.05080
   28    27 S   H    _HN3    25     1.01633   119.48825    -3.66810
   29    24 S   S    _SG2    35     1.82875   110.76372   -64.14714
   30    27 S   CT   _CA3    26     1.45280   123.14002   176.94514
   31    30 S   HC   HA31    27     1.09552   107.53007   -63.70396
   32    30 S   HC   HA32    28     1.09558   107.94096    52.69895
   33    29 S   CT   _C26    36     1.89105   104.21985  -173.23760
   34    30 S   CO3  _C3_    29     1.52936   114.14132   174.67921
   35    34 S   O2Z  _O31    30     1.26369   116.07251    -0.80211
   36    34 S   O2Z  _O32    31     1.26433   114.40895   179.26007
   37    33 S   CT   _C25    37     1.56149   108.90807  -154.35490
   38    37 S   HC   _H11    38     1.09859   108.78064   166.00500
   39    33 S   CT   _C10    77     1.58850   110.63545    87.00119
   40    33 S   CT   _C27   104     1.54501   107.68261   -36.58509
   41    40 S   HC   _H30   105     1.09416   112.26934    71.41955
   42    40 S   HC   _H31   106     1.09510   112.37823   -49.52942
   43    40 S   HC   _H32   107     1.09506   111.65102  -168.55611
   44    37 S   CO4  _C24    39     1.53699   115.63828    47.17197
   45    44 S   O    _O34    40     1.22405   124.12891    57.08907
   46    39 S   CT   _C9_    78     1.59606   113.74364  -170.44506
   47    46 S   HC   _H6_    79     1.09444   110.95621   -14.24942
   48    44 S   CT   _C23    41     1.51650   111.56648  -127.25549
   49    48 S   HC   _H10    42     1.10195   104.76016   -89.03074
   50    46 S   CT   _C8_    80     1.52439   100.87471   101.68301
   51    50 S   HC   _H5_    81     1.09582   109.32228   -81.75017
   52    46 S   CT   _C29   100     1.53180   117.39828  -135.70423
   53    52 S   HC   _H37   101     1.09338   112.80640   -54.64239
   54    52 S   HC   _H38   102     1.09574   110.67310  -175.16714
   55    52 S   HC   _H39   103     1.09061   111.24336    68.15368
   56    48 S   CT   _C14    43     1.53311   100.98619    23.43546
   57    56 S   HC   _H8_    44     1.09552   111.17378    77.65440
   58    50 S   CT   _C7_    82     1.50387   101.88002    36.76148
   59    58 S   HC   _H4_    83     1.09844   112.13221    69.09093
   60    56 S   CT   _C15    45     1.52724   108.92785  -163.84519
   61    60 S   HC   _H21    46     1.09562   109.65097  -167.22453
   62    60 S   HC   _H22    47     1.09625   111.15770    74.47492
   63    37 S   CT   _C13    69     1.55353   117.79006   -73.12808
   64    63 S   HC   _H7_    70     1.10183   106.81063  -146.34974
   65    58 S   CT   _C6_    84     1.51885   110.15165  -169.55221
   66    65 S   HC   _H15    85     1.09652   109.92734   179.87489
   67    65 S   HC   _H16    86     1.09775   110.12223    63.53191
   68    39 S   OS   _O33    99     1.46886   107.80374   -54.77550
   69    60 S   CM   _C16    48     1.50670   111.10192   -46.68700
   70    69 S   HC   _H23    49     1.08747   115.67202  -164.69600
   71    63 S   CT   _C12    71     1.52690   117.66564   -27.29711
   72    71 S   HC   _H19    72     1.09433   107.58936  -103.22525
   73    71 S   HC   _H20    73     1.09663   110.66940   144.16465
   74    65 S   CT   _C5_    87     1.54317   109.08518   -58.42484
   75    74 S   HC   _H3_    88     1.09875   107.77597   -66.62528
   76    69 S   CM   _C17    50     1.34986   124.75379    14.62120
   77    71 S   CT   _C11    74     1.52261   117.04082    19.26381
   78    77 S   HC   _H17    75     1.09777   108.12668    88.64738
   79    77 S   HC   _H18    76     1.09705   109.48725  -160.71073
   80    74 S   CT   _C30    89     1.54017   112.41186    52.04062
   81    80 S   HC   _H42    90     1.09570   112.03810    68.27490
   82    80 S   HC   _H43    91     1.09451   111.61519  -169.11085
   83    74 S   CT   _C4_    95     1.52670   110.55749   175.84782
   84    83 S   HC   _H12    96     1.09527   111.27230   -62.44733
   85    83 S   HC   _H13    97     1.09508   110.76338   177.36790
   86    83 S   HC   _H14    98     1.09505   110.77389    57.74681
   87    76 S   CT   _C18    51     1.51044   120.57965  -178.48019
   88    87 S   HC   _H24    52     1.09758   111.52287    -5.66344
   89    87 S   HC   _H25    53     1.09731   109.62267   110.17958
   90    50 S   NP   _N4_    92     1.47789   118.74581   156.15485
   91    90 S   H    _H40    93     1.02930   109.97632    60.18875
   92    90 S   H    _H41    94     1.02948   111.12878   -56.98107
   93    87 S   CT   _C19    54     1.52792   111.58960  -127.75638
   94    93 S   HC   _H9_    55     1.09700   110.06163    67.38878
   95    93 S   CT   _C20    56     1.52617   111.32160   -54.14300
   96    95 S   HC   _H26    57     1.09677   110.21392   -67.15887
   97    95 S   HC   _H27    58     1.09714   109.47660   177.56370
   98    93 S   OH   _O35    67     1.42419   109.82175  -174.33621
   99    98 S   HO   _H36    68     0.97215   107.61945   -57.01620
  100    95 S   CT   _C21    59     1.52895   111.33251    56.10804
  101   100 S   HC   _H28    60     1.09868   107.57443    67.55842
  102   100 S   HC   _H29    61     1.09656   108.62302  -177.89420
  103    48 S   CT   _C22    62     1.54939   120.81043   147.72113
  104   103 S   CT   _C28    63     1.54317   111.97712   -46.26722
  105   104 S   HC   _H33    64     1.09456   111.57999    59.23217
  106   104 S   HC   _H34    65     1.09455   112.01972   -62.02772
  107   104 S   HC   _H35    66     1.09421   112.04321   178.62513
  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
  23   2   1   1  22   9  25   8   2   1   1  13   5  19  10  21
   8  19   9   7   2   1   1  16   8  13   6  10   5   4   9   4
  13   6   5   6   9   3   5   4   3  11   8  15   2   1   1   9
   5   4   4   2   1   1  12   6   5   2   1   1  10   6   9   6
   5   2   1   7   3   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    63    77    39    46    68    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    45    48    56    63    64    71    77    78    79    39    46    47    50    58    68    52    40    41    42    43  
   35    36  
   36  
    0  
   38    44    45    48    49    56    57    60   103    63    64    71    72    73    77    39    46    68    40    41    42    43  
   44    45    48    56    63    64    71    39    40  
   46    47    50    51    58    59    65    90    68    52    53    54    55    40    41    42    43    44    63    71    72    73    77    78    79  
   41    42    43    44    46    63    68    77  
   42    43  
   43  
    0  
   45    48    49    56    57    60    76   100   103   104    63    64    71  
   48    49    56   103    63  
   47    50    51    58    59    65    80    90    91    92    68    52    53    54    55    71    77    78    79  
   50    51    58    90    68    52    53    54    55    77  
   49    56    57    60    61    62    69    76    87    95   100   101   102   103   104   105   106   107    63    64    71  
   56    57    60    76   100   103   104    63  
   51    58    59    65    66    67    74    80    81    82    90    91    92    68    52    53    54    55    77  
   58    59    65    80    90    91    92    68    52  
   53    54    55    58    68    77    90  
   54    55  
   55  
    0  
   57    60    61    62    69    70    76   100   103   104    63    64    71    72    73    77  
   60    61    62    69   103    63    64    71  
   59    65    66    67    74    75    80    90    91    92    83    68    77  
   65    66    67    74    90    68  
   61    62    69    70    76    87   103    63    64    71  
   62    69    70    76    63  
   69    70    76    63  
   64    71    72    73    77    78    79    69   103  
   71    72    73    77  
   66    67    74    75    80    81    82    90    83    84    85    86    68  
   67    74    75    80    83    68  
   74    75    80    83    68  
   71    74    77    78    79    90  
   70    76    87    88    89    93   100   103   104  
   76    87   103  
   72    73    77    78    79  
   73    77    78    79  
   77    78    79  
   75    80    81    82    90    91    92    83    84    85    86  
   80    81    82    90    83    84    85    86  
   87    88    89    93    94    95   100   101   102   103   104   105   106   107    98  
   78    79  
   79  
    0  
   81    82    90    91    92    83    84    85    86  
   82    90    91    92    83  
   90    91    92    83  
   84    85    86    90  
   85    86  
   86  
    0  
   88    89    93    94    95    96    97   100   103   104    98    99  
   89    93    94    95   103    98  
   93    94    95   103    98  
   91    92  
   92  
    0  
   94    95    96    97   100   101   102   103    98    99  
   95    96    97   100    98    99  
   96    97   100   101   102   103   104    98    99  
   97   100   101   102   103    98  
  100   101   102   103    98  
   99   100  
    0  
  101   102   103   104   105   106   107  
  102   103   104  
  103   104  
  104   105   106   107  
  105   106   107  
  106   107  
  107  
    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   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.005600   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.394400   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.6450   1.4500   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   1.6450   1.4500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.120000   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   3.2500   0.1700  -0.200000   2.1950   1.9500   0.003973653   1.685851020
   91   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   92   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   99   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  100   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    39   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    44   317.000  1.522
   37    63   268.000  1.529
   44    45   570.000  1.229
   44    48   317.000  1.522
   48    49   340.000  1.090
   48    56   268.000  1.529
   48   103   268.000  1.529
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    63   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    69   317.000  1.510
   69    70   340.000  1.080
   69    76   549.000  1.340
   76    87   317.000  1.510
   76   103   317.000  1.510
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    93   268.000  1.529
   93    94   340.000  1.090
   93    95   268.000  1.529
   93    98   320.000  1.410
   95    96   340.000  1.090
   95    97   340.000  1.090
   95   100   268.000  1.529
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   268.000  1.529
  103   104   268.000  1.529
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   98    99   553.000  0.945
   63    64   340.000  1.090
   63    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    39   268.000  1.529
   39    46   268.000  1.529
   39    68   320.000  1.410
   46    47   340.000  1.090
   46    50   268.000  1.529
   46    52   268.000  1.529
   50    51   340.000  1.090
   50    58   268.000  1.529
   50    90   367.000  1.471
   58    59   340.000  1.090
   58    65   268.000  1.529
   58    68   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    74   268.000  1.529
   74    75   340.000  1.090
   74    80   268.000  1.529
   74    83   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    90   367.000  1.471
   90    91   434.000  1.010
   90    92   434.000  1.010
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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    39    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    44    63.00000  111.10000
   33    37    63    58.35000  112.70000
   33    39    77    58.35000  112.70000
   33    39    46    58.35000  112.70000
   33    39    68    50.00000  109.50000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    80.00000  120.40000
   37    44    48    70.00000  116.00000
   37    63    56    58.35000  112.70000
   37    63    64    37.50000  110.70000
   37    63    71    58.35000  112.70000
   44    37    38    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    56    63.00000  111.10000
   44    48   103    63.00000  111.10000
   48    44    45    80.00000  120.40000
   48    56    57    37.50000  110.70000
   48    56    60    58.35000  112.70000
   48    56    63    58.35000  112.70000
   48   103    76    70.00000  112.02700
   48   103   100    58.35000  112.70000
   48   103   104    58.35000  112.70000
   56    48    49    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    69    70.00000  112.02700
   56    63    64    37.50000  110.70000
   56    63    71    58.35000  112.70000
   60    56    57    37.50000  110.70000
   60    69    70    35.00000  117.00000
   60    69    76    70.00000  124.00000
   62    60    61    33.00000  107.80000
   69    60    61    35.00000  109.50000
   69    60    62    35.00000  109.50000
   69    76    87    70.00000  124.00000
   69    76   103    70.00000  124.00000
   76    69    70    35.00000  120.00000
   76    87    88    35.00000  109.50000
   76    87    89    35.00000  109.50000
   76    87    93    70.00000  112.02700
   76   103   100    70.00000  112.02700
   76   103   104    70.00000  112.02700
   87    93    94    37.50000  110.70000
   87    93    95    58.35000  112.70000
   87    93    98    50.00000  109.50000
   89    87    88    33.00000  107.80000
   93    87    88    37.50000  110.70000
   93    87    89    37.50000  110.70000
   93    95    96    37.50000  110.70000
   93    95    97    37.50000  110.70000
   93    95   100    58.35000  112.70000
   93    98    99    55.00000  108.50000
   95    93    94    37.50000  110.70000
   95   100   101    37.50000  110.70000
   95   100   102    37.50000  110.70000
   95   100   103    58.35000  112.70000
   97    95    96    33.00000  107.80000
  100    95    96    37.50000  110.70000
  100    95    97    37.50000  110.70000
  100   103   104    58.35000  112.70000
  102   100   101    33.00000  107.80000
  103    48    49    37.50000  110.70000
  103    48    56    58.35000  112.70000
  103    76    87    65.00000  117.92700
  103   100   101    37.50000  110.70000
  103   100   102    37.50000  110.70000
  103   104   105    37.50000  110.70000
  103   104   106    37.50000  110.70000
  103   104   107    37.50000  110.70000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   98    93    94    35.00000  109.50000
   98    93    95    50.00000  109.50000
   63    37    38    37.50000  110.70000
   63    37    44    63.00000  111.10000
   63    56    57    37.50000  110.70000
   63    56    60    58.35000  112.70000
   63    71    72    37.50000  110.70000
   63    71    73    37.50000  110.70000
   63    71    77    58.35000  112.70000
   71    63    64    37.50000  110.70000
   71    77    78    37.50000  110.70000
   71    77    79    37.50000  110.70000
   71    77    39    58.35000  112.70000
   73    71    72    33.00000  107.80000
   77    71    72    37.50000  110.70000
   77    71    73    37.50000  110.70000
   77    39    46    58.35000  112.70000
   77    39    68    50.00000  109.50000
   79    77    78    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    77    78    37.50000  110.70000
   39    77    79    37.50000  110.70000
   39    46    47    37.50000  110.70000
   39    46    50    58.35000  112.70000
   39    46    52    58.35000  112.70000
   39    68    58    60.00000  109.50000
   46    50    51    37.50000  110.70000
   46    50    58    58.35000  112.70000
   46    50    90    80.00000  111.20000
   46    52    53    37.50000  110.70000
   46    52    54    37.50000  110.70000
   46    52    55    37.50000  110.70000
   50    46    47    37.50000  110.70000
   50    58    59    37.50000  110.70000
   50    58    65    58.35000  112.70000
   50    58    68    50.00000  109.50000
   50    90    80    75.00000  113.01200
   50    90    91    35.00000  109.50000
   50    90    92    35.00000  109.50000
   58    50    51    37.50000  110.70000
   58    65    66    37.50000  110.70000
   58    65    67    37.50000  110.70000
   58    65    74    58.35000  112.70000
   65    58    59    37.50000  110.70000
   65    74    75    37.50000  110.70000
   65    74    80    58.35000  112.70000
   65    74    83    58.35000  112.70000
   67    65    66    33.00000  107.80000
   74    65    66    37.50000  110.70000
   74    65    67    37.50000  110.70000
   74    80    81    37.50000  110.70000
   74    80    82    37.50000  110.70000
   74    80    90    80.00000  111.20000
   74    83    84    37.50000  110.70000
   74    83    85    37.50000  110.70000
   74    83    86    37.50000  110.70000
   80    74    75    37.50000  110.70000
   80    90    91    35.00000  109.50000
   80    90    92    35.00000  109.50000
   82    80    81    33.00000  107.80000
   90    50    51    35.00000  109.50000
   90    50    58    80.00000  111.20000
   90    80    81    35.00000  109.50000
   90    80    82    35.00000  109.50000
   92    90    91    35.00000  109.50000
   83    74    75    37.50000  110.70000
   83    74    80    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   68    39    46    50.00000  109.50000
   68    58    59    35.00000  109.50000
   68    58    65    50.00000  109.50000
   52    46    47    37.50000  110.70000
   52    46    50    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    39    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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
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   78    77    39    33   0.15000  1.0 3.0
   78    77    39    46   0.15000  1.0 3.0
   78    77    39    68   0.23400  1.0 3.0
   79    77    39    33   0.15000  1.0 3.0
   79    77    39    46   0.15000  1.0 3.0
   79    77    39    68   0.23400  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    44  -0.95700  1.0 1.0
   39    33    37    44  -0.18200 -1.0 2.0
   39    33    37    44   0.29450  1.0 3.0
   39    33   -37    63   0.56750  1.0 1.0
   39    33   -37    63  -0.07550 -1.0 2.0
   39    33   -37    63   0.20000  1.0 3.0
   39    33    40    41   0.15000  1.0 3.0
   39    33    40    42   0.15000  1.0 3.0
   39    33    40    43   0.15000  1.0 3.0
   39    46    50    51   0.15000  1.0 3.0
   39    46   -50    58   0.56750  1.0 1.0
   39    46   -50    58  -0.07550 -1.0 2.0
   39    46   -50    58   0.20000  1.0 3.0
   39    46    50    90   1.36600  1.0 1.0
   39    46    50    90  -0.11450 -1.0 2.0
   39    46    50    90   0.24250  1.0 3.0
   39    46    52    53   0.15000  1.0 3.0
   39    46    52    54   0.15000  1.0 3.0
   39    46    52    55   0.15000  1.0 3.0
   46    39   -68    58   0.06250  1.0 1.0
   46    39   -68    58  -0.01100 -1.0 2.0
   46    39   -68    58   0.28050  1.0 3.0
   46    50    58    59   0.15000  1.0 3.0
   46    50    58    65   0.56750  1.0 1.0
   46    50    58    65  -0.07550 -1.0 2.0
   46    50    58    65   0.20000  1.0 3.0
   46    50   -58    68   0.62750  1.0 1.0
   46    50   -58    68  -0.30950 -1.0 2.0
   46    50   -58    68   0.27300  1.0 3.0
   46    50    90    80   0.47100  1.0 1.0
   46    50    90    91   0.17350  1.0 3.0
   46    50    90    92   0.17350  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    58   0.15000  1.0 3.0
   47    46    50    90   0.19200  1.0 3.0
   47    46    52    53   0.15000  1.0 3.0
   47    46    52    54   0.15000  1.0 3.0
   47    46    52    55   0.15000  1.0 3.0
   50    46    52    53   0.15000  1.0 3.0
   50    46    52    54   0.15000  1.0 3.0
   50    46    52    55   0.15000  1.0 3.0
   50    58    65    66   0.15000  1.0 3.0
   50    58    65    67   0.15000  1.0 3.0
   50    58    65    74   0.56750  1.0 1.0
   50    58    65    74  -0.07550 -1.0 2.0
   50    58    65    74   0.20000  1.0 3.0
   50    58   -68    39   0.06250  1.0 1.0
   50    58   -68    39  -0.01100 -1.0 2.0
   50    58   -68    39   0.28050  1.0 3.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    65   0.15000  1.0 3.0
   51    50    58    68   0.23400  1.0 3.0
   51    50    90    80   0.15000  1.0 3.0
   51    50    90    91   0.13050  1.0 3.0
   51    50    90    92   0.13050  1.0 3.0
   58    50    90    80   0.47100  1.0 1.0
   58    50    90    91   0.17350  1.0 3.0
   58    50    90    92   0.17350  1.0 3.0
   58    65    74    75   0.15000  1.0 3.0
   58    65   -74    80   0.56750  1.0 1.0
   58    65   -74    80  -0.07550 -1.0 2.0
   58    65   -74    80   0.20000  1.0 3.0
   58    65    74    83   0.56750  1.0 1.0
   58    65    74    83  -0.07550 -1.0 2.0
   58    65    74    83   0.20000  1.0 3.0
   59    58    65    66   0.15000  1.0 3.0
   59    58    65    67   0.15000  1.0 3.0
   59    58    65    74   0.15000  1.0 3.0
   59    58    68    39   0.37050  1.0 3.0
   65    58    68    39   0.06250  1.0 1.0
   65    58    68    39  -0.01100 -1.0 2.0
   65    58    68    39   0.28050  1.0 3.0
   65    74    80    81   0.15000  1.0 3.0
   65    74    80    82   0.15000  1.0 3.0
   65    74    80    90   1.36600  1.0 1.0
   65    74    80    90  -0.11450 -1.0 2.0
   65    74    80    90   0.24250  1.0 3.0
   65    74    83    84   0.15000  1.0 3.0
   65    74    83    85   0.15000  1.0 3.0
   65    74    83    86   0.15000  1.0 3.0
   66    65    74    75   0.15000  1.0 3.0
   66    65    74    80   0.15000  1.0 3.0
   66    65    74    83   0.15000  1.0 3.0
   67    65    74    75   0.15000  1.0 3.0
   67    65    74    80   0.15000  1.0 3.0
   67    65    74    83   0.15000  1.0 3.0
   74    80   -90    50   0.47100  1.0 1.0
   74    80    90    91   0.17350  1.0 3.0
   74    80    90    92   0.17350  1.0 3.0
   75    74    80    81   0.15000  1.0 3.0
   75    74    80    82   0.15000  1.0 3.0
   75    74    80    90   0.19200  1.0 3.0
   75    74    83    84   0.15000  1.0 3.0
   75    74    83    85   0.15000  1.0 3.0
   75    74    83    86   0.15000  1.0 3.0
   80    74    83    84   0.15000  1.0 3.0
   80    74    83    85   0.15000  1.0 3.0
   80    74    83    86   0.15000  1.0 3.0
   81    80    90    50   0.15000  1.0 3.0
   81    80    90    91   0.13050  1.0 3.0
   81    80    90    92   0.13050  1.0 3.0
   82    80    90    50   0.15000  1.0 3.0
   82    80    90    91   0.13050  1.0 3.0
   82    80    90    92   0.13050  1.0 3.0
   90    50    58    59   0.19200  1.0 3.0
   90    50   -58    65   1.36600  1.0 1.0
   90    50   -58    65  -0.11450 -1.0 2.0
   90    50   -58    65   0.24250  1.0 3.0
   90    50    58    68   1.69300  1.0 1.0
   90    50    58    68  -0.48450 -1.0 2.0
   83    74    80    81   0.15000  1.0 3.0
   83    74    80    82   0.15000  1.0 3.0
   83    74    80    90   1.36600  1.0 1.0
   83    74    80    90  -0.11450 -1.0 2.0
   83    74    80    90   0.24250  1.0 3.0
   68    39    46    47   0.23400  1.0 3.0
   68    39   -46    50   0.62750  1.0 1.0
   68    39   -46    50  -0.30950 -1.0 2.0
   68    39   -46    50   0.27300  1.0 3.0
   68    39    46    52   0.62750  1.0 1.0
   68    39    46    52  -0.30950 -1.0 2.0
   68    39    46    52   0.27300  1.0 3.0
   68    58    65    66   0.23400  1.0 3.0
   68    58    65    67   0.23400  1.0 3.0
   68    58    65    74   0.62750  1.0 1.0
   68    58    65    74  -0.30950 -1.0 2.0
   68    58    65    74   0.27300  1.0 3.0
   52    46    50    51   0.15000  1.0 3.0
   52    46    50    58   0.56750  1.0 1.0
   52    46    50    58  -0.07550 -1.0 2.0
   52    46    50    58   0.20000  1.0 3.0
   52    46    50    90   1.36600  1.0 1.0
   52    46    50    90  -0.11450 -1.0 2.0
   52    46    50    90   0.24250  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    44  -0.95700  1.0 1.0
   40    33    37    44  -0.18200 -1.0 2.0
   40    33    37    44   0.29450  1.0 3.0
   40    33    37    63   0.56750  1.0 1.0
   40    33    37    63  -0.07550 -1.0 2.0
   40    33    37    63   0.20000  1.0 3.0
   40    33    39    77   0.56750  1.0 1.0
   40    33    39    77  -0.07550 -1.0 2.0
   40    33    39    77   0.20000  1.0 3.0
   40    33    39    46   0.56750  1.0 1.0
   40    33    39    46  -0.07550 -1.0 2.0
   40    33    39    46   0.20000  1.0 3.0
   40    33    39    68   0.62750  1.0 1.0
   40    33    39    68  -0.30950 -1.0 2.0
   40    33    39    68   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
   35    30    34    36  10.50000 -1.0 2.0
   37    48    44    45  10.50000 -1.0 2.0
   60    70    69    76   1.10000 -1.0 2.0
   87   103    76    69   1.10000 -1.0 2.0
END
