* LIGAND DATABASE FILE (OPLS2005)
*
001     100   104    200    328     602
    1     0 S   NP   _N1_     1    28.83644    96.17261   -24.41087
    2     1 S   H    _HN1     2     1.02794   113.25048   -97.88421
    3     1 S   H    _H1_     3     1.02947    73.20441     5.32726
    4     1 S   H    _H2_     4     1.02828    34.51553   174.12183
    5     1 S   CT   _CA1     5     1.50122   130.10848   108.17573
    6     5 S   HC   _HA1     6     1.09574   105.16758    92.87799
    7     5 S   CO3  _C1_     7     1.53764   112.44001   -27.33011
    8     7 S   O2Z  _O11     8     1.26373   115.00962   -43.29398
    9     7 S   O2Z  _O12     9     1.26234   114.93308   135.71491
   10     5 S   CT   _CB1    10     1.53059   107.40371  -149.17725
   11    10 S   HC   HB11    11     1.09841   109.31409   -49.58692
   12    10 S   HC   HB12    12     1.09810   110.48302    66.99549
   13    10 S   CT   _CG1    13     1.53024   112.65076  -170.53143
   14    13 S   HC   HG11    14     1.09571   110.71933   -67.23221
   15    13 S   HC   HG12    15     1.09669   109.71461    52.02427
   16    13 S   C    _CD1    16     1.51814   111.99136   172.48109
   17    16 S   O    _OE1    17     1.22757   123.17492    11.59432
   18    16 S   N    _N2_    18     1.38647   111.84073  -168.39070
   19    18 S   H    _HN2    19     1.01577   119.00822     0.98397
   20    18 S   CT1  _CA2    20     1.46221   123.34511   176.57795
   21    20 S   HC   _HA2    21     1.09742   109.27096     7.12480
   22    20 S   C    _C2_    22     1.53666   108.83078  -108.37100
   23    22 S   O    _O2_    23     1.23081   122.25863  -148.62457
   24    20 S   CT   _CB2    32     1.53312   111.69591   129.08589
   25    24 S   HC   HB21    33     1.09530   110.09027    57.21179
   26    24 S   HC   HB22    34     1.09513   109.96283   176.21576
   27    22 S   N    _N3_    24     1.38321   113.85400    38.85907
   28    27 S   H    _HN3    25     1.01547   119.61346    -3.15095
   29    24 S   S    _SG2    35     1.82727   111.49126   -63.99412
   30    27 S   CT   _CA3    26     1.45284   123.28181   177.20516
   31    30 S   HC   HA31    27     1.09547   107.50002   -65.06425
   32    30 S   HC   HA32    28     1.09555   108.01092    51.39482
   33    29 S   CT   _C18    36     1.86138    99.59175  -174.96133
   34    33 S   HC   _H7_    37     1.09524   107.28529    35.34939
   35    30 S   CO3  _C3_    29     1.52976   114.04186   173.40100
   36    35 S   O2Z  _O31    30     1.26384   116.07635    -0.63674
   37    35 S   O2Z  _O32    31     1.26424   114.41961   179.42939
   38    33 S   CM   _C17    38     1.51098   105.38889   -78.91644
   39    38 S   HC   _H24    39     1.08825   117.27677    81.89717
   40    38 S   CMA  _C16    40     1.34622   123.30788   -97.36346
   41    40 S   OM   _O38    41     1.25910   131.00131   178.80712
   42    40 S   CM   _C15    42     1.46048   117.32700    -0.88537
   43    42 S   HC   _H23    43     1.09007   117.80056   167.65435
   44    42 S   CM   _C14    44     1.35058   123.27131   -17.19014
   45    44 S   CT   _C13    45     1.50503   119.22694  -170.92026
   46    45 S   HC   _H21    46     1.09693   111.21292   -19.15420
   47    45 S   HC   _H22    47     1.09748   108.55943    97.65039
   48    45 S   CT   _C12    48     1.51719   112.54165  -141.25179
   49    48 S   HC   _H19    49     1.09708   109.49355    65.83500
   50    48 S   HC   _H20    50     1.09684   108.86442  -177.52654
   51    48 S   CT   _C11    51     1.53308   110.62969   -56.57579
   52    51 S   HC   _H6_    52     1.09812   107.52977   -55.35824
   53    51 S   CT   _C10    53     1.54597   110.58921  -171.17454
   54    53 S   HC   _H5_    54     1.10050   106.88432    64.50641
   55    51 S   CT   _C20    67     1.55328   110.29799    62.11647
   56    55 S   HC   _H8_    68     1.09400   105.47228    62.52003
   57    53 S   CT   _C9_    55     1.54128   115.50634   -54.12624
   58    57 S   HC   _H17    56     1.09473   111.10917   -35.53274
   59    57 S   HC   _H18    57     1.09541   111.19031    84.05461
   60    33 S   CT   _C19    69     1.59218   115.22473   155.75786
   61    57 S   CT   _C8_    58     1.53379   106.02905  -153.47544
   62    61 S   HC   _H4_    59     1.09455   109.70477   127.55469
   63    60 S   CT   _C28    70     1.55727   107.58689  -163.28754
   64    63 S   HC   _H34    71     1.09509   111.60036    55.22503
   65    63 S   HC   _H35    72     1.09654   112.08088   -64.00557
   66    63 S   HC   _H36    73     1.09511   111.90983   176.00139
   67    61 S   CT   _C24    60     1.52733   106.79133     2.68066
   68    53 S   CT   _C23    61     1.54955   114.56156  -175.16224
   69    67 S   OS   _O34    80     1.42723   103.56557   -93.76492
   70    67 S   CO4  _C25    94     1.53780   112.80947   147.81334
   71    70 S   O    _O35    95     1.23266   121.34297   -36.21000
   72    68 S   CT   _C22    62     1.54500   109.89171    48.01390
   73    72 S   HC   _H25    63     1.09839   109.95804  -174.20641
   74    72 S   HC   _H26    64     1.09819   111.02607    70.43076
   75    68 S   CT   _C27    76     1.54011   110.63309   -73.61669
   76    75 S   HC   _H30    77     1.09510   111.93340   -59.98835
   77    75 S   HC   _H31    78     1.09419   111.08219   179.41818
   78    75 S   HC   _H32    79     1.09412   112.09083    59.72007
   79    69 S   CO   _C7_    81     1.42660   106.64638   -24.97771
   80    79 S   HC   _H3_    82     1.09587   108.53370  -100.58754
   81    70 S   CT   _C26    96     1.52082   117.35597   144.76622
   82    81 S   HC   _H27    97     1.09108   109.99815    53.20424
   83    81 S   HC   _H28    98     1.09325   109.04050   -67.90715
   84    72 S   CT   _C21    65     1.53328   113.89426   -51.74639
   85    84 S   HC   _H9_    66     1.09426   109.18602   -64.97149
   86    61 S   OS   _O33    83     1.42375   110.75343  -112.82634
   87    79 S   CT   _C6_    84     1.52598   110.28980   138.45177
   88    87 S   HC   _H15    85     1.09695   109.31180  -176.26236
   89    87 S   HC   _H16    86     1.09748   109.31438   -60.38239
   90    81 S   OH   _O36    99     1.41395   110.42064   172.92898
   91    90 S   HO   _H29   100     0.97225   107.26879   176.24673
   92    84 S   OH   _O37    74     1.42339   107.41278   179.25035
   93    92 S   HO   _H33    75     0.97236   107.83593    59.31735
   94    87 S   CT   _C5_    87     1.52847   112.40568    60.92130
   95    94 S   HC   _H13    88     1.09597   110.20764   -60.33456
   96    94 S   HC   _H14    89     1.09613   109.79432    57.59729
   97    94 S   CT   _C4_    90     1.52055   111.41172   178.63255
   98    97 S   HC   _H10    91     1.09468   111.00961   -60.21239
   99    97 S   HC   _H11    92     1.09449   110.25867  -179.94405
  100    97 S   HC   _H12    93     1.09470   110.98830    60.31445
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  17   7   2   1   1   9   4   6   3   9   3  15  11   6   5  12
   5   4  18   8  22   9  15   6  12   6   5   8  13   6   4   2
   1   1  20  16  12  10   4  10   5   4   4   2   1   1   9   5
   4   3   2   3   2   4   9   5   4   1   1   1   1   6   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    60    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    55    60    63  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    51    84    55    56    60    63    64    65    66  
   38    39    40    44    55    60    63  
   36    37  
   37  
    0  
   39    40    41    42    43    44    55    60    63  
   40    41    42    60  
   41    42    43    44    45    60  
   42    43    44  
   43    44    45    46    47    48    55    60    63  
   44    45    60  
   45    46    47    48    49    50    51    84    55    56    60    63    64    65    66  
   46    47    48    49    50    51    52    53    55    60    63  
   47    48    49    50    51    60  
   48    49    50    51    60  
   49    50    51    52    53    54    57    68    84    55    56    60  
   50    51    52    53    55  
   51    52    53    55  
   52    53    54    57    58    59    61    67    68    72    84    85    55    56    60    63    92    75  
   53    54    57    68    84    55    56    60  
   54    57    58    59    61    62    67    68    72    73    74    84    55    56    60    75    76    77    78    69    86    70  
   57    58    59    61    67    68    72    55    75  
   56    60    63    64    65    66    92    93    57    68    72    73    74    84    85  
   60    63    92    72    84    85  
   58    59    61    62    67    68    72    75    69    79    86    70  
   59    61    62    67    68    86  
   61    62    67    68    86  
   63    64    65    66    92    72    84    85  
   62    67    68    72    75    69    79    80    86    87    70    71    81  
   67    68    69    79    86    70  
   64    65    66    84  
   65    66  
   66  
    0  
   68    72    73    74    84    75    76    77    78    69    79    80    86    87    70    71    81    82    83    90  
   72    73    74    84    85    92    75    76    77    78    69    79    86    70    71    81  
   79    80    86    87    88    89    94    70    71    81    72    75  
   71    81    82    83    90    91    72    75    79    86  
   81    82    83    90  
   73    74    84    85    92    93    75    76    77    78  
   74    84    85    92    75  
   84    85    92    75  
   76    77    78    84  
   77    78  
   78  
    0  
   80    86    87    88    89    94    95    96    97  
   86    87    88    89    94  
   82    83    90    91  
   83    90    91  
   90    91  
   85    92    93  
   92    93  
   87    88    89    94  
   88    89    94    95    96    97    98    99   100  
   89    94    95    96    97  
   94    95    96    97  
   91  
    0  
   93  
    0  
   95    96    97    98    99   100  
   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   0.107500   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   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   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.1200   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   93   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    60   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   340.000  1.080
   42    44   549.000  1.340
   44    45   317.000  1.510
   44    60   317.000  1.510
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    55   268.000  1.529
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    68   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    61   268.000  1.529
   61    62   340.000  1.090
   61    67   268.000  1.529
   61    86   320.000  1.410
   67    68   268.000  1.529
   67    69   320.000  1.410
   67    70   317.000  1.522
   68    72   268.000  1.529
   68    75   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    84   268.000  1.529
   84    85   340.000  1.090
   84    55   268.000  1.529
   84    92   320.000  1.410
   55    56   340.000  1.090
   55    60   268.000  1.529
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   92    93   553.000  0.945
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   69    79   320.000  1.380
   79    80   340.000  1.090
   79    86   320.000  1.380
   79    87   250.000  1.527
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   70    71   570.000  1.229
   70    81   317.000  1.522
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    90   320.000  1.410
   90    91   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    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  112.20000
   29    33    60    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    60    44    70.00000  112.02700
   33    60    55    58.35000  112.70000
   33    60    63    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    40.00000  120.50800
   40    42    43    40.00000  120.50800
   40    42    44    70.00000  117.34000
   42    40    41    65.00000  137.10300
   42    44    45    70.00000  124.00000
   42    44    60    70.00000  124.00000
   44    42    43    35.00000  120.00000
   44    45    46    35.00000  109.50000
   44    45    47    35.00000  109.50000
   44    45    48    70.00000  112.02700
   44    60    55    70.00000  112.02700
   44    60    63    70.00000  112.02700
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    58.35000  112.70000
   48    51    55    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    57    58.35000  112.70000
   51    53    68    58.35000  112.70000
   51    55    84    58.35000  112.70000
   51    55    56    37.50000  110.70000
   51    55    60    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    61    58.35000  112.70000
   53    68    67    58.35000  112.70000
   53    68    72    58.35000  112.70000
   53    68    75    58.35000  112.70000
   57    53    54    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    67    58.35000  112.70000
   57    61    86    50.00000  109.50000
   59    57    58    33.00000  107.80000
   61    57    58    37.50000  110.70000
   61    57    59    37.50000  110.70000
   61    67    68    58.35000  112.70000
   61    67    69    50.00000  109.50000
   61    67    70    63.00000  111.10000
   61    86    79    60.00000  109.50000
   67    61    62    37.50000  110.70000
   67    68    72    58.35000  112.70000
   67    68    75    58.35000  112.70000
   67    69    79    60.00000  109.50000
   67    70    71    80.00000  120.40000
   67    70    81    70.00000  116.00000
   68    53    54    37.50000  110.70000
   68    53    57    58.35000  112.70000
   68    72    73    37.50000  110.70000
   68    72    74    37.50000  110.70000
   68    72    84    58.35000  112.70000
   68    75    76    37.50000  110.70000
   68    75    77    37.50000  110.70000
   68    75    78    37.50000  110.70000
   72    84    85    37.50000  110.70000
   72    84    55    58.35000  112.70000
   72    84    92    50.00000  109.50000
   74    72    73    33.00000  107.80000
   84    72    73    37.50000  110.70000
   84    72    74    37.50000  110.70000
   84    55    56    37.50000  110.70000
   84    55    60    58.35000  112.70000
   84    92    93    55.00000  108.50000
   55    51    52    37.50000  110.70000
   55    51    53    58.35000  112.70000
   55    84    85    37.50000  110.70000
   55    60    63    58.35000  112.70000
   60    33    34    37.50000  110.70000
   60    33    38    70.00000  112.02700
   60    44    45    65.00000  117.92700
   60    55    56    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   92    84    85    35.00000  109.50000
   92    84    55    50.00000  109.50000
   75    68    72    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   69    67    68    50.00000  109.50000
   69    79    80    35.00000  109.50000
   69    79    86    92.60000  111.55000
   69    79    87    90.00000  108.56700
   79    87    88    45.00000  108.72000
   79    87    89    45.00000  108.72000
   79    87    94    75.00000  109.43000
   86    61    62    35.00000  109.50000
   86    61    67    50.00000  109.50000
   86    79    80    35.00000  109.50000
   87    79    80    45.00000  112.01100
   87    79    86    90.00000  108.56700
   87    94    95    37.50000  110.70000
   87    94    96    37.50000  110.70000
   87    94    97    58.35000  112.70000
   89    87    88    33.00000  107.80000
   94    87    88    37.50000  110.70000
   94    87    89    37.50000  110.70000
   94    97    98    37.50000  110.70000
   94    97    99    37.50000  110.70000
   94    97   100    37.50000  110.70000
   96    94    95    33.00000  107.80000
   97    94    95    37.50000  110.70000
   97    94    96    37.50000  110.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   70    67    68    63.00000  111.10000
   70    67    69    90.00000  108.74100
   70    81    82    35.00000  109.50000
   70    81    83    35.00000  109.50000
   70    81    90    90.00000  109.61100
   81    70    71    80.00000  120.40000
   81    90    91    55.00000  108.50000
   83    81    82    33.00000  107.80000
   90    81    82    35.00000  109.50000
   90    81    83    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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
   24    20    22    27   0.17550  1.0 3.0
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   86    61   -67    69  -0.34150  1.0 3.0
   86    61    67    70  -0.09450  1.0 1.0
   86    61    67    70  -1.12950 -1.0 2.0
   86    61    67    70   0.54000  1.0 3.0
   86    79    87    88   0.23400  1.0 3.0
   86    79    87    89   0.23400  1.0 3.0
   86    79    87    94   0.62750  1.0 1.0
   86    79    87    94  -0.30950 -1.0 2.0
   86    79    87    94   0.27300  1.0 3.0
   87    79    86    61   0.06250  1.0 1.0
   87    79    86    61  -0.01100 -1.0 2.0
   87    79    86    61   0.28050  1.0 3.0
   87    94    97    98   0.15000  1.0 3.0
   87    94    97    99   0.15000  1.0 3.0
   87    94    97   100   0.15000  1.0 3.0
   88    87    94    95   0.15000  1.0 3.0
   88    87    94    96   0.15000  1.0 3.0
   88    87    94    97   0.15000  1.0 3.0
   89    87    94    95   0.15000  1.0 3.0
   89    87    94    96   0.15000  1.0 3.0
   89    87    94    97   0.15000  1.0 3.0
   95    94    97    98   0.15000  1.0 3.0
   95    94    97    99   0.15000  1.0 3.0
   95    94    97   100   0.15000  1.0 3.0
   96    94    97    98   0.15000  1.0 3.0
   96    94    97    99   0.15000  1.0 3.0
   96    94    97   100   0.15000  1.0 3.0
   70    67    68    53  -0.95700  1.0 1.0
   70    67    68    53  -0.18200 -1.0 2.0
   70    67    68    53   0.29450  1.0 3.0
   70    67    68    72  -0.95700  1.0 1.0
   70    67    68    72  -0.18200 -1.0 2.0
   70    67    68    72   0.29450  1.0 3.0
   70    67    68    75  -0.95700  1.0 1.0
   70    67    68    75  -0.18200 -1.0 2.0
   70    67    68    75   0.29450  1.0 3.0
   70    67    69    79  -1.11000  1.0 1.0
   70    67    69    79   0.50250 -1.0 2.0
   70    67    69    79   0.47450  1.0 3.0
   70    81    90    91   0.91850  1.0 1.0
   70    81    90    91   0.57950  1.0 3.0
   71    70    81    82   0.00000  1.0 1.0
   71    70    81    83   0.00000  1.0 1.0
   71    70    81    90   0.30150 -1.0 2.0
   82    81    90    91   0.19450  1.0 3.0
   83    81    90    91   0.19450  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
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    43    42    44   1.10000 -1.0 2.0
   45    60    44    42   1.10000 -1.0 2.0
   67    81    70    71  10.50000 -1.0 2.0
END
