* LIGAND DATABASE FILE (OPLS2005)
*
001     100   105    201    335     606
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02075   106.52394   -19.06316
    3     1 S   H    _H1_     3     1.02046    58.90055    83.17018
    4     1 S   H    _H2_     4     1.02098    53.24408  -120.31035
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08491   110.67486    58.67070
   26    24 S   HC   HB22    34     1.08491   110.07674   179.26272
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C24    36     1.90282    95.61000  -158.10778
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C17    37     1.56227   104.28900   -40.03136
   38    37 S   HC   _H50    38     1.09843   109.50164    47.40798
   39    33 S   CT   _C21    61     1.64909   105.27630  -164.40952
   40    37 S   CO4  _C10    39     1.51374   117.07454   164.20925
   41    40 S   O    _O29    40     1.22759   122.76072   146.49362
   42    39 S   CO4  _C8_    62     1.58449   114.54184    46.83903
   43    42 S   O    _O27    63     1.23181   123.34980    23.98589
   44    39 S   CT   _C26    91     1.55039   111.83007   163.22923
   45    44 S   HC   _H54    92     1.08139   108.71667    56.71167
   46    44 S   HC   _H55    93     1.08114   108.72029   -63.31539
   47    44 S   HC   _H56    94     1.08195   108.70016   176.67704
   48    37 S   OH   _O36    99     1.41766   115.03701   -69.63689
   49    48 S   HO   _H66   100     0.97102   106.95320   168.50698
   50    40 S   OS   _O34    41     1.34944   115.73675   -40.33237
   51    42 S   CT   _C11    64     1.52826   118.88547  -161.57389
   52    51 S   HC   _H39    65     1.09614   107.83555   167.63464
   53    51 S   HC   _H40    66     1.09249   109.80469   -75.99614
   54    50 S   CT   _C16    42     1.44550   121.56934    37.50876
   55    54 S   HC   _H49    43     1.09807   104.75722    75.15238
   56    51 S   CT   _C18    67     1.50709   108.55813    49.01331
   57    56 S   HC   _H51    68     1.10475   104.41309    53.21071
   58    54 S   C5BC _C7_    44     1.52635   106.41072  -176.53728
   59    33 S   CT   _C23    52     1.61798   109.20681    72.88927
   60    89 S   CT   _C22    69     1.57498   114.42531  -163.93218
   61    56 S   CT   _C25    82     1.52200   121.04594   169.86368
   62    58 S   C5BC _C4_    45     1.41520   126.99298    40.29584
   63    62 S   HA   _H36    46     1.08087   127.81673    -0.03426
   64    59 S   CT   _C14    53     1.54833   111.13289    71.88775
   65    64 S   HC   _H45    54     1.09672   110.17157   -71.61134
   66    64 S   HC   _H46    55     1.09694   110.29998   173.50239
   67    60 S   CT   _C15    70     1.54997   112.29599   -63.77526
   68    67 S   HC   _H47    71     1.08898   111.79851   -88.38020
   69    67 S   HC   _H48    72     1.09300   111.57826    31.09529
   70    61 S   CT   _C28    83     1.53425   111.64805   -85.99528
   71    70 S   HC   _H60    84     1.08645   109.46087  -179.96574
   72    70 S   HC   _H61    85     1.08578   109.47629    59.99842
   73    70 S   HC   _H62    86     1.08645   109.46993   -59.99739
   74    61 S   CT   _C29    87     1.52867   115.37769    38.19128
   75    74 S   HC   _H63    88     1.08846   109.74719   179.97202
   76    74 S   HC   _H64    89     1.08858   109.77408    60.01737
   77    74 S   HC   _H65    90     1.08806   109.76868   -60.05378
   78    59 S   CT   _C27    95     1.56341   112.89132   -46.40690
   79    78 S   HC   _H57    96     1.07635   107.85961   -58.46428
   80    78 S   HC   _H58    97     1.07643   107.89326  -178.42157
   81    78 S   HC   _H59    98     1.07577   107.89386    61.54528
   82    62 S   C5A  _C5_    47     1.37623   106.10799  -179.96044
   83    82 S   HA   _H37    48     1.07945   133.77155  -180.00000
   84    64 S   CT   _C13    56     1.52192   114.64015    51.14072
   85    84 S   HC   _H43    57     1.09169   110.67585    65.78943
   86    84 S   HC   _H44    58     1.09397   106.48023  -178.99848
   87    67 S   OS   _O33    73     1.44511   115.96004   151.40805
   88    82 S   OA   _O30    49     1.35851   110.57379    -0.03426
   89    84 S   CT   _C19    59     1.52950   110.66076   -59.54464
   90    89 S   HC   _H52    60     1.09824   103.72788   -52.22204
   91    87 S   CO4  _C9_    74     1.35322   119.82300   -51.33447
   92    91 S   O    _O28    75     1.22704   122.40858  -159.98911
   93    58 S   C5A  _C6_    50     1.37557   126.88307  -139.70015
   94    93 S   HA   _H38    51     1.08017   133.90367    -0.01978
   95    91 S   CT   _C12    76     1.50263   114.88571    20.71407
   96    95 S   HC   _H41    77     1.09697   107.02479   151.22519
   97    95 S   HC   _H42    78     1.09150   108.73951   -91.65435
   98    60 S   CT   _C20    79     1.53811   116.75960    61.68836
   99    98 S   HC   _H53    80     1.09684   111.61142    28.66679
  100    98 S   OS   _O35    81     1.45849   106.61096   145.16159
  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
  30   2   1   1  14   7  24   8   3  16   6   9   3   2   1   3
   1   8  12   5   4  17   6  22   8  10  13  20  14   6   4  11
   6   5  12   5   4   9   4   3   2   5   3   2   1   4   2   1
   1   4   2   5   3   2   7   2   5   1   7   4   1   1   5   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    59    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    54    59    64    89    39    42    44    78    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    50    54    55    58    59    64    65    66    84    89    90    39    42    43    51    60    44    45    46    47    78    79    80    81    48    49  
   35    36  
   36  
    0  
   38    40    41    50    54    59    64    89    39    42    44    78    48    49  
   40    41    50    59    39    48    49  
   42    43    51    52    53    56    60    67    98    44    45    46    47    78    48    40    54    59    64    84    85    86    89    90  
   41    50    54    55    58    59    48    49  
   50    54    48  
   43    51    52    53    56    57    60    61    44    45    46    47    59    84    89    90  
   51    52    53    56    44    89  
   45    46    47    51    59    60    84    89    90  
   46    47    89  
   47    89  
   89  
   49    50    59  
    0  
   54    55    58    62    93    59    64    78  
   52    53    56    57    60    67    98   100    61    70    74    89  
   53    56    57    60    61  
   56    57    60    61  
   55    58    62    63    82    88    93    94    59    64    65    66    84    78    79    80    81  
   58    62    93    59    64    78  
   57    60    67    68    69    87    95    98    99   100    61    70    71    72    73    74    75    76    77    84    89    90  
   60    67    98   100    61    70    74    89  
   62    63    82    83    88    93    94    59    64    78  
   64    65    66    84    85    86    89    78    79    80    81    62    93  
   67    68    69    87    91    95    96    97    98    99   100    61    70    74    64    84    85    86    89    90  
   70    71    72    73    74    75    76    77    67    89    95    98    99   100  
   63    82    83    88    93    94  
   82    83    88    93  
   65    66    84    85    86    89    90    78    79    80    81  
   66    84    85    86    89    78  
   84    85    86    89    78  
   68    69    87    91    92    95    98    99   100    84    89    90  
   69    87    91    98    89  
   87    91    98    89  
   71    72    73    74    75    76    77    98   100  
   72    73    74   100  
   73    74   100  
   74   100  
   75    76    77    98   100  
   76    77   100  
   77   100  
  100  
   79    80    81    84  
   80    81  
   81  
    0  
   83    88    93    94  
   88    93  
   85    86    89    90    98  
   86    89    90  
   89    90  
   91    92    95    96    97    98    89  
   93    94  
   90    95    98    99   100  
   98  
   92    95    96    97    98    99   100  
   95    96    97    98  
   94  
    0  
   96    97    98    99   100  
   97    98    99   100  
   98    99   100  
   99   100  
  100  
    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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   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   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   84   3.5000   0.0660  -0.120000   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   88   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   89   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   92   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   93   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   94   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   95   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  100   2.9000   0.1400  -0.400000   1.5900   1.4000   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    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    59   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    40   317.000  1.522
   37    48   320.000  1.410
   40    41   570.000  1.229
   40    50   214.000  1.327
   50    54   320.000  1.410
   54    55   340.000  1.090
   54    58   285.000  1.502
   54    59   268.000  1.529
   58    62   469.000  1.424
   58    93   546.000  1.367
   62    63   367.000  1.080
   62    82   546.000  1.367
   82    83   367.000  1.080
   82    88   340.000  1.360
   88    93   340.000  1.360
   93    94   367.000  1.080
   59    64   268.000  1.529
   59    78   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    89   268.000  1.529
   89    90   340.000  1.090
   89    39   268.000  1.529
   89    60   268.000  1.529
   39    42   317.000  1.522
   39    44   268.000  1.529
   42    43   570.000  1.229
   42    51   317.000  1.522
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    61   268.000  1.529
   60    67   268.000  1.529
   60    98   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    87   320.000  1.410
   87    91   214.000  1.327
   91    92   570.000  1.229
   91    95   317.000  1.522
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   268.000  1.529
   98    99   340.000  1.090
   98   100   320.000  1.410
  100    61   320.000  1.410
   61    70   268.000  1.529
   61    74   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   48    49   553.000  0.945
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    59    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    40    63.00000  111.10000
   33    37    48    50.00000  109.50000
   33    59    54    58.35000  112.70000
   33    59    64    58.35000  112.70000
   33    59    78    58.35000  112.70000
   33    39    89    58.35000  112.70000
   33    39    42    63.00000  111.10000
   33    39    44    58.35000  112.70000
   37    40    41    80.00000  120.40000
   37    40    50    81.00000  111.40000
   37    48    49    55.00000  108.50000
   40    37    38    35.00000  109.50000
   40    50    54    83.00000  116.90000
   50    40    41    83.00000  123.40000
   50    54    55    35.00000  109.50000
   50    54    58    85.00000  111.85700
   50    54    59    50.00000  109.50000
   54    58    62    60.00000  130.00000
   54    58    93    60.00000  130.00000
   54    59    64    58.35000  112.70000
   54    59    78    58.35000  112.70000
   58    54    55    35.00000  109.50000
   58    62    63    35.00000  127.50000
   58    62    82    70.00000  107.30000
   58    93    88    70.00000  110.60000
   58    93    94    35.00000  132.10000
   62    82    83    35.00000  132.10000
   62    82    88    70.00000  110.60000
   82    62    63    35.00000  125.70000
   82    88    93    70.00000  106.50000
   88    82    83    35.00000  113.40000
   88    93    94    35.00000  113.40000
   93    58    62    70.00000  107.30000
   59    33    37    58.35000  112.70000
   59    54    55    37.50000  110.70000
   59    54    58    70.00000  112.17500
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    84    58.35000  112.70000
   59    78    79    37.50000  110.70000
   59    78    80    37.50000  110.70000
   59    78    81    37.50000  110.70000
   64    84    85    37.50000  110.70000
   64    84    86    37.50000  110.70000
   64    84    89    58.35000  112.70000
   66    64    65    33.00000  107.80000
   84    64    65    37.50000  110.70000
   84    64    66    37.50000  110.70000
   84    89    90    37.50000  110.70000
   84    89    39    58.35000  112.70000
   84    89    60    58.35000  112.70000
   86    84    85    33.00000  107.80000
   89    84    85    37.50000  110.70000
   89    84    86    37.50000  110.70000
   89    39    42    63.00000  111.10000
   89    39    44    58.35000  112.70000
   89    60    56    58.35000  112.70000
   89    60    67    58.35000  112.70000
   89    60    98    58.35000  112.70000
   39    33    37    58.35000  112.70000
   39    33    59    58.35000  112.70000
   39    89    90    37.50000  110.70000
   39    42    43    80.00000  120.40000
   39    42    51    70.00000  116.00000
   39    44    45    37.50000  110.70000
   39    44    46    37.50000  110.70000
   39    44    47    37.50000  110.70000
   42    51    52    35.00000  109.50000
   42    51    53    35.00000  109.50000
   42    51    56    63.00000  111.10000
   51    42    43    80.00000  120.40000
   51    56    57    37.50000  110.70000
   51    56    60    58.35000  112.70000
   51    56    61    58.35000  112.70000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    60    67    58.35000  112.70000
   56    60    98    58.35000  112.70000
   56    61   100    50.00000  109.50000
   56    61    70    58.35000  112.70000
   56    61    74    58.35000  112.70000
   60    89    90    37.50000  110.70000
   60    89    39    58.35000  112.70000
   60    56    57    37.50000  110.70000
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   60    67    87    50.00000  109.50000
   60    98    95    58.35000  112.70000
   60    98    99    37.50000  110.70000
   60    98   100    50.00000  109.50000
   67    87    91    83.00000  116.90000
   69    67    68    33.00000  107.80000
   87    67    68    35.00000  109.50000
   87    67    69    35.00000  109.50000
   87    91    92    83.00000  123.40000
   87    91    95    81.00000  111.40000
   91    95    96    35.00000  109.50000
   91    95    97    35.00000  109.50000
   91    95    98    63.00000  111.10000
   95    91    92    80.00000  120.40000
   95    98    99    37.50000  110.70000
   95    98   100    50.00000  109.50000
   97    95    96    33.00000  107.80000
   98    60    67    58.35000  112.70000
   98    95    96    37.50000  110.70000
   98    95    97    37.50000  110.70000
   98   100    61    60.00000  109.50000
  100    98    99    35.00000  109.50000
  100    61    70    50.00000  109.50000
  100    61    74    50.00000  109.50000
   61    56    57    37.50000  110.70000
   61    56    60    58.35000  112.70000
   61    70    71    37.50000  110.70000
   61    70    72    37.50000  110.70000
   61    70    73    37.50000  110.70000
   61    74    75    37.50000  110.70000
   61    74    76    37.50000  110.70000
   61    74    77    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    61    70    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   44    39    42    63.00000  111.10000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   78    59    64    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   48    37    38    35.00000  109.50000
   48    37    40    90.00000  109.61100
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
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   91    95   -98    60   0.29450  1.0 3.0
   91    95    98    99  -0.11250  1.0 3.0
   91    95    98   100  -0.09450  1.0 1.0
   91    95    98   100  -1.12950 -1.0 2.0
   91    95    98   100   0.54000  1.0 3.0
   92    91    95    96   0.00000  1.0 1.0
   92    91    95    97   0.00000  1.0 1.0
   92    91    95    98   0.30150 -1.0 2.0
   95    98   100    61   0.06250  1.0 1.0
   95    98   100    61  -0.01100 -1.0 2.0
   95    98   100    61   0.28050  1.0 3.0
   96    95    98    60   0.15000  1.0 3.0
   96    95    98    99   0.15000  1.0 3.0
   96    95    98   100   0.23400  1.0 3.0
   97    95    98    60   0.15000  1.0 3.0
   97    95    98    99   0.15000  1.0 3.0
   97    95    98   100   0.23400  1.0 3.0
   98    60    67    68   0.15000  1.0 3.0
   98    60    67    69   0.15000  1.0 3.0
   98    60   -67    87   0.62750  1.0 1.0
   98    60   -67    87  -0.30950 -1.0 2.0
   98    60   -67    87   0.27300  1.0 3.0
   98   100   -61    56   0.06250  1.0 1.0
   98   100   -61    56  -0.01100 -1.0 2.0
   98   100   -61    56   0.28050  1.0 3.0
   98   100    61    70   0.06250  1.0 1.0
   98   100    61    70  -0.01100 -1.0 2.0
   98   100    61    70   0.28050  1.0 3.0
   98   100    61    74   0.06250  1.0 1.0
   98   100    61    74  -0.01100 -1.0 2.0
   98   100    61    74   0.28050  1.0 3.0
   99    98   100    61   0.37050  1.0 3.0
  100    61    70    71   0.23400  1.0 3.0
  100    61    70    72   0.23400  1.0 3.0
  100    61    70    73   0.23400  1.0 3.0
  100    61    74    75   0.23400  1.0 3.0
  100    61    74    76   0.23400  1.0 3.0
  100    61    74    77   0.23400  1.0 3.0
   61    56    60    89   0.56750  1.0 1.0
   61    56    60    89  -0.07550 -1.0 2.0
   61    56    60    89   0.20000  1.0 3.0
   61    56    60    67   0.56750  1.0 1.0
   61    56    60    67  -0.07550 -1.0 2.0
   61    56    60    67   0.20000  1.0 3.0
   61    56   -60    98   0.56750  1.0 1.0
   61    56   -60    98  -0.07550 -1.0 2.0
   61    56   -60    98   0.20000  1.0 3.0
   70    61    74    75   0.15000  1.0 3.0
   70    61    74    76   0.15000  1.0 3.0
   70    61    74    77   0.15000  1.0 3.0
   74    61    70    71   0.15000  1.0 3.0
   74    61    70    72   0.15000  1.0 3.0
   74    61    70    73   0.15000  1.0 3.0
   44    39    42    43   0.30150 -1.0 2.0
   44    39    42    51   0.60050  1.0 1.0
   44    39    42    51   0.05600 -1.0 2.0
   44    39    42    51   0.26150  1.0 3.0
   78    59    64    65   0.15000  1.0 3.0
   78    59    64    66   0.15000  1.0 3.0
   78    59    64    84   0.56750  1.0 1.0
   78    59    64    84  -0.07550 -1.0 2.0
   78    59    64    84   0.20000  1.0 3.0
   48    37    40    41   0.30150 -1.0 2.0
   48    37    40    50   0.30750  1.0 1.0
   48    37    40    50   1.13850 -1.0 2.0
   48    37    40    50   0.38850  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   37    50    40    41  10.50000 -1.0 2.0
   62    93    58    54   4.00000 -1.0 2.0
   82    63    62    58   1.10000 -1.0 2.0
   88    83    82    62   1.10000 -1.0 2.0
   88    94    93    58   1.10000 -1.0 2.0
   39    51    42    43  10.50000 -1.0 2.0
   87    95    91    92  10.50000 -1.0 2.0
END
