* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    156    242     460
    1     0 S   NP   _N1_     1    29.59822   100.05274   -20.56044
    2     1 S   H    _HN1     2     1.02938    50.53668    22.67308
    3     1 S   H    _H1_     3     1.02820    66.81791   162.63960
    4     1 S   H    _H2_     4     1.02797    92.78131   -89.05027
    5     1 S   CT   _CA1     5     1.50148   153.65086    72.53623
    6     5 S   HC   _HA1     6     1.09572   105.08762   138.54105
    7     5 S   CO3  _C1_     7     1.53705   112.67251    18.45623
    8     7 S   O2Z  _O11     8     1.26391   114.99490   -36.87207
    9     7 S   O2Z  _O12     9     1.26241   115.00503   142.28428
   10     5 S   CT   _CB1    10     1.53068   107.40046  -103.42616
   11    10 S   HC   HB11    11     1.09845   109.19487   -48.24619
   12    10 S   HC   HB12    12     1.09811   110.51453    68.34321
   13    10 S   CT   _CG1    13     1.53039   112.73029  -169.17545
   14    13 S   HC   HG11    14     1.09502   110.84163   -71.30835
   15    13 S   HC   HG12    15     1.09672   109.60448    47.88285
   16    13 S   C    _CD1    16     1.51830   111.78808   168.30201
   17    16 S   O    _OE1    17     1.22757   123.08745    18.10046
   18    16 S   N    _N2_    18     1.38563   111.86856  -161.72025
   19    18 S   H    _HN2    19     1.01569   118.93587    -0.84488
   20    18 S   CT1  _CA2    20     1.46364   123.58590   174.26646
   21    20 S   HC   _HA2    21     1.09739   109.45508     6.17597
   22    20 S   C    _C2_    22     1.53667   108.22683  -109.14290
   23    22 S   O    _O2_    23     1.23046   122.43650  -146.49416
   24    20 S   CT   _CB2    32     1.53353   111.32558   128.58802
   25    24 S   HC   HB21    33     1.09263   109.20072    54.79112
   26    24 S   HC   HB22    34     1.09458   110.24148   173.48121
   27    22 S   N    _N3_    24     1.38384   113.65333    40.89854
   28    27 S   H    _HN3    25     1.01544   119.55482    -2.87603
   29    24 S   S    _SG2    35     1.82743   110.47575   -67.45813
   30    27 S   CT   _CA3    26     1.45261   123.36292   177.45178
   31    30 S   HC   HA31    27     1.09544   107.48754   -65.75722
   32    30 S   HC   HA32    28     1.09554   108.04148    50.72470
   33    29 S   CT   _C15    36     1.88199   102.95533   157.91295
   34    30 S   CO3  _C3_    29     1.52997   113.99406   172.74775
   35    34 S   O2Z  _O31    30     1.26394   116.09358    -0.37846
   36    34 S   O2Z  _O32    31     1.26425   114.41594   179.67374
   37    33 S   CT   _C14    37     1.54956   109.65917   -61.94171
   38    37 S   HC   _H5_    38     1.09386   113.05844    72.28464
   39    33 S   CT   _C16    77     1.60688   107.59929    56.45281
   40    39 S   OM   _O33    78     1.32562   111.05030    61.10763
   41    39 S   HC   _H16    79     1.10269   105.13950   -66.04471
   42    39 S   HC   _H17    80     1.09567   107.94893  -169.73565
   43    37 S   CT   _C13    39     1.53923   105.48430  -168.71790
   44    43 S   HC   _H14    40     1.09448   111.57216   148.30068
   45    43 S   HC   _H15    41     1.09564   110.36406   -92.30579
   46    37 S   OS   _O34    57     1.43061   110.32103   -47.14200
   47    43 S   CT   _C12    42     1.54096   105.19767    27.54005
   48    47 S   HC   _H4_    43     1.08799   110.75760   128.52602
   49    33 S   CT   _C11    44     1.62255   116.41291  -169.31227
   50    47 S   OS   _O35    70     1.44345   110.72259  -114.14154
   51    49 S   CT   _C8_    45     1.63639   113.18620    51.40821
   52    49 S   CT   _C19    66     1.53953   113.39193   -75.32447
   53    52 S   HC   _H21    67     1.09445   111.41219    58.76961
   54    52 S   HC   _H22    68     1.09272   112.96802   -62.02803
   55    52 S   HC   _H23    69     1.09327   111.73586   179.39672
   56    50 S   CO4  _C17    71     1.36206   117.52599   -76.88509
   57    56 S   O    _O36    72     1.22327   126.41146    -0.01978
   58    51 S   CT   _C9_    46     1.56416   112.98212   -80.28104
   59    58 S   HC   _H10    47     1.08335   112.46041    48.39554
   60    58 S   HC   _H11    48     1.09812   110.01734   -67.72907
   61    51 S   CT   _C20    62     1.57339   111.84547   163.74261
   62    61 S   HC   _H24    63     1.09269   113.25898   -68.07285
   63    61 S   HC   _H25    64     1.09502   111.93251   174.36254
   64    61 S   HC   _H26    65     1.09327   112.02321    54.47515
   65    56 S   CT   _C18    73     1.49821   109.42852   179.79633
   66    65 S   HC   _H18    74     1.09294   109.80037   -61.20705
   67    65 S   HC   _H19    75     1.09375   109.37107   179.71884
   68    65 S   HC   _H20    76     1.09292   109.82861    60.66907
   69    58 S   CT   _C10    49     1.53337   115.40031   170.22782
   70    69 S   HC   _H12    50     1.09767   107.82523  -161.56813
   71    69 S   HC   _H13    51     1.09652   110.14838    83.16576
   72    69 S   CM   _C5_    52     1.49987   114.12372   -39.74713
   73    72 S   CM   _C6_    53     1.34180   122.30524    16.08198
   74    73 S   HC   _H9_    54     1.08845   118.97549  -179.82983
   75    72 S   CT   _C4_    58     1.50060   115.96072  -164.70154
   76    75 S   HC   _H6_    59     1.09482   110.28809   -56.53762
   77    75 S   HC   _H7_    60     1.09452   112.09030  -176.35057
   78    75 S   HC   _H8_    61     1.09471   110.26915    63.35806
   79    51 S   CT   _C7_    55     1.56654   110.02125    45.76101
   80    79 S   HC   _H3_    56     1.09750   108.47643    88.69499
  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
  22   2   1   1  18   8   9   3   2   1  11   6   5  10  14   5
  18   8  19   6   2   1   1   5   4  14   7   6   7   3   2   1
   3   2   1   1  10   4   3   8   7   3   4   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    47    49    51    46    52    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    47    48    49    51    58    79    46    61    52    53    54    55    50    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    47    48    49    51    73    79    80    46    52    50    39    40    41    42  
   43    44    45    47    49    79    46    39  
   40    41    42    43    46    47    49    51    52  
   41    42    49  
   42    49  
   49  
   44    45    47    48    49    51    79    46    52    50    56  
   45    47    48    49    46    50  
   47    48    49    46    50  
   61    47    49    51    58    72    73    74    79    80  
   48    49    51    58    79    61    52    53    54    55    50    56    57    65  
   49    51    52    50    56  
   51    58    59    60    69    73    79    80    61    62    63    64    52    53    54    55    50    56  
   56    57    65    66    67    68    51    52  
   58    59    60    69    70    71    72    73    74    79    80    61    62    63    64    52    53    54    55  
   53    54    55    58    61    79  
   54    55  
   55  
    0  
   57    65    66    67    68  
   65    66    67    68  
   59    60    69    70    71    72    73    79    80    75    61    62    63    64  
   60    69    70    71    72    79    61  
   69    70    71    72    79    61  
   62    63    64    69    73    79    80  
   63    64    79  
   64    79  
   79  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73    74    79    75    76    77    78  
   71    72    73    75  
   72    73    75  
   73    74    79    80    75    76    77    78  
   74    79    80    75    76    77    78  
   79    80    75  
   76    77    78    79  
   77    78  
   78  
    0  
   80  
    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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   39   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   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   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   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    49   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   268.000  1.529
   37    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    50   320.000  1.410
   49    51   268.000  1.529
   49    52   268.000  1.529
   51    58   268.000  1.529
   51    79   268.000  1.529
   51    61   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   317.000  1.510
   72    73   549.000  1.340
   72    75   317.000  1.510
   73    74   340.000  1.080
   73    79   317.000  1.510
   79    80   340.000  1.090
   79    46   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   50    56   214.000  1.327
   56    57   570.000  1.229
   56    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   39    40   570.000  1.307
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    49    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    37    46    50.00000  109.50000
   33    49    47    58.35000  112.70000
   33    49    51    58.35000  112.70000
   33    49    52    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    37.50000  110.70000
   37    43    45    37.50000  110.70000
   37    43    47    58.35000  112.70000
   37    46    79    60.00000  109.50000
   43    37    38    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    49    58.35000  112.70000
   43    47    50    50.00000  109.50000
   45    43    44    33.00000  107.80000
   47    43    44    37.50000  110.70000
   47    43    45    37.50000  110.70000
   47    49    51    58.35000  112.70000
   47    49    52    58.35000  112.70000
   47    50    56    83.00000  116.90000
   49    33    37    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    51    58    58.35000  112.70000
   49    51    79    58.35000  112.70000
   49    51    61    58.35000  112.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    37.50000  110.70000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    69    58.35000  112.70000
   51    79    73    70.00000  112.02700
   51    79    80    37.50000  110.70000
   51    79    46    50.00000  109.50000
   51    61    62    37.50000  110.70000
   51    61    63    37.50000  110.70000
   51    61    64    37.50000  110.70000
   58    69    70    37.50000  110.70000
   58    69    71    37.50000  110.70000
   58    69    72    70.00000  112.02700
   60    58    59    33.00000  107.80000
   69    58    59    37.50000  110.70000
   69    58    60    37.50000  110.70000
   69    72    73    70.00000  124.00000
   69    72    75    65.00000  117.92700
   71    69    70    33.00000  107.80000
   72    69    70    35.00000  109.50000
   72    69    71    35.00000  109.50000
   72    73    74    35.00000  120.00000
   72    73    79    70.00000  124.00000
   72    75    76    35.00000  109.50000
   72    75    77    35.00000  109.50000
   72    75    78    35.00000  109.50000
   73    79    80    35.00000  109.50000
   73    79    46    85.00000  110.90400
   79    51    58    58.35000  112.70000
   79    73    74    35.00000  117.00000
   46    37    38    35.00000  109.50000
   46    37    43    50.00000  109.50000
   46    79    80    35.00000  109.50000
   75    72    73    70.00000  124.00000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   61    51    58    58.35000  112.70000
   61    51    79    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   52    49    51    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
   50    47    48    35.00000  109.50000
   50    47    49    50.00000  109.50000
   50    56    57    83.00000  123.40000
   50    56    65    81.00000  111.40000
   56    65    66    35.00000  109.50000
   56    65    67    35.00000  109.50000
   56    65    68    35.00000  109.50000
   65    56    57    80.00000  120.40000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    49    58.35000  112.70000
   41    39    40    45.00000  125.66300
   42    39    40    45.00000  125.66300
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   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
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    46   0.56750  1.0 1.0
   29    33    37    46  -0.07550 -1.0 2.0
   29    33    37    46   0.20000  1.0 3.0
   29    33    49    47   0.44750  1.0 1.0
   29    33    49    47  -0.17800 -1.0 2.0
   29    33    49    47   0.20200  1.0 3.0
   29    33    49    51   0.44750  1.0 1.0
   29    33    49    51  -0.17800 -1.0 2.0
   29    33    49    51   0.20200  1.0 3.0
   29    33    49    52   0.44750  1.0 1.0
   29    33    49    52  -0.17800 -1.0 2.0
   29    33    49    52   0.20200  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    45   0.15000  1.0 3.0
   33    37   -43    47   0.56750  1.0 1.0
   33    37   -43    47  -0.07550 -1.0 2.0
   33    37   -43    47   0.20000  1.0 3.0
   33    37    46    79   0.06250  1.0 1.0
   33    37    46    79  -0.01100 -1.0 2.0
   33    37    46    79   0.28050  1.0 3.0
   33    49    51    58   0.56750  1.0 1.0
   33    49    51    58  -0.07550 -1.0 2.0
   33    49    51    58   0.20000  1.0 3.0
   33    49   -51    79   0.56750  1.0 1.0
   33    49   -51    79  -0.07550 -1.0 2.0
   33    49   -51    79   0.20000  1.0 3.0
   33    49    51    61   0.56750  1.0 1.0
   33    49    51    61  -0.07550 -1.0 2.0
   33    49    51    61   0.20000  1.0 3.0
   33    49    52    53   0.15000  1.0 3.0
   33    49    52    54   0.15000  1.0 3.0
   33    49    52    55   0.15000  1.0 3.0
   37    33   -49    47   0.56750  1.0 1.0
   37    33   -49    47  -0.07550 -1.0 2.0
   37    33   -49    47   0.20000  1.0 3.0
   37    33    49    51   0.56750  1.0 1.0
   37    33    49    51  -0.07550 -1.0 2.0
   37    33    49    51   0.20000  1.0 3.0
   37    33    49    52   0.56750  1.0 1.0
   37    33    49    52  -0.07550 -1.0 2.0
   37    33    49    52   0.20000  1.0 3.0
   37    33    39    40   0.62750  1.0 1.0
   37    33    39    40  -0.30950 -1.0 2.0
   37    33    39    40   0.27300  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    47    48   0.15000  1.0 3.0
   37    43   -47    49   0.56750  1.0 1.0
   37    43   -47    49  -0.07550 -1.0 2.0
   37    43   -47    49   0.20000  1.0 3.0
   37    43    47    50   0.62750  1.0 1.0
   37    43    47    50  -0.30950 -1.0 2.0
   37    43    47    50   0.27300  1.0 3.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    45   0.15000  1.0 3.0
   38    37    43    47   0.15000  1.0 3.0
   38    37    46    79   0.37050  1.0 3.0
   43    37    46    79   0.06250  1.0 1.0
   43    37    46    79  -0.01100 -1.0 2.0
   43    37    46    79   0.28050  1.0 3.0
   43    47   -49    33   0.56750  1.0 1.0
   43    47   -49    33  -0.07550 -1.0 2.0
   43    47   -49    33   0.20000  1.0 3.0
   43    47    49    51   0.56750  1.0 1.0
   43    47    49    51  -0.07550 -1.0 2.0
   43    47    49    51   0.20000  1.0 3.0
   43    47    49    52   0.56750  1.0 1.0
   43    47    49    52  -0.07550 -1.0 2.0
   43    47    49    52   0.20000  1.0 3.0
   43    47    50    56  -0.25900  1.0 1.0
   43    47    50    56  -0.47000 -1.0 2.0
   43    47    50    56   0.11750  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    50   0.23400  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    49   0.15000  1.0 3.0
   45    43    47    50   0.23400  1.0 3.0
   47    49    51    58   0.56750  1.0 1.0
   47    49    51    58  -0.07550 -1.0 2.0
   47    49    51    58   0.20000  1.0 3.0
   47    49    51    79   0.56750  1.0 1.0
   47    49    51    79  -0.07550 -1.0 2.0
   47    49    51    79   0.20000  1.0 3.0
   47    49    51    61   0.56750  1.0 1.0
   47    49    51    61  -0.07550 -1.0 2.0
   47    49    51    61   0.20000  1.0 3.0
   47    49    52    53   0.15000  1.0 3.0
   47    49    52    54   0.15000  1.0 3.0
   47    49    52    55   0.15000  1.0 3.0
   47    50    56    57   3.00000 -1.0 2.0
   47    50    56    65   1.63150  1.0 1.0
   47    50    56    65   2.92000 -1.0 2.0
   48    47    49    33   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    52   0.15000  1.0 3.0
   48    47    50    56   0.08050  1.0 3.0
   49    33    37    38   0.15000  1.0 3.0
   49    33   -37    43   0.56750  1.0 1.0
   49    33   -37    43  -0.07550 -1.0 2.0
   49    33   -37    43   0.20000  1.0 3.0
   49    33    37    46   0.62750  1.0 1.0
   49    33    37    46  -0.30950 -1.0 2.0
   49    33    37    46   0.27300  1.0 3.0
   49    33    39    40   0.62750  1.0 1.0
   49    33    39    40  -0.30950 -1.0 2.0
   49    33    39    40   0.27300  1.0 3.0
   49    33    39    41   0.15000  1.0 3.0
   49    33    39    42   0.15000  1.0 3.0
   49    47    50    56  -0.25900  1.0 1.0
   49    47    50    56  -0.47000 -1.0 2.0
   49    47    50    56   0.11750  1.0 3.0
   49    51    58    59   0.15000  1.0 3.0
   49    51    58    60   0.15000  1.0 3.0
   49    51    58    69   0.56750  1.0 1.0
   49    51    58    69  -0.07550 -1.0 2.0
   49    51    58    69   0.20000  1.0 3.0
   49    51    79    73   0.34400  1.0 1.0
   49    51    79    73   0.09450 -1.0 2.0
   49    51    79    73   0.11100  1.0 3.0
   49    51    79    80   0.15000  1.0 3.0
   49    51   -79    46   0.62750  1.0 1.0
   49    51   -79    46  -0.30950 -1.0 2.0
   49    51   -79    46   0.27300  1.0 3.0
   49    51    61    62   0.15000  1.0 3.0
   49    51    61    63   0.15000  1.0 3.0
   49    51    61    64   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    55   0.15000  1.0 3.0
   51    58    69    70   0.15000  1.0 3.0
   51    58    69    71   0.15000  1.0 3.0
   51    58    69    72   0.34400  1.0 1.0
   51    58    69    72   0.09450 -1.0 2.0
   51    58    69    72   0.11100  1.0 3.0
   51    79   -46    37   0.06250  1.0 1.0
   51    79   -46    37  -0.01100 -1.0 2.0
   51    79   -46    37   0.28050  1.0 3.0
   58    51    79    73   0.34400  1.0 1.0
   58    51    79    73   0.09450 -1.0 2.0
   58    51    79    73   0.11100  1.0 3.0
   58    51    79    80   0.15000  1.0 3.0
   58    51    79    46   0.62750  1.0 1.0
   58    51    79    46  -0.30950 -1.0 2.0
   58    51    79    46   0.27300  1.0 3.0
   58    51    61    62   0.15000  1.0 3.0
   58    51    61    63   0.15000  1.0 3.0
   58    51    61    64   0.15000  1.0 3.0
   58    69   -72    73   0.09850  1.0 1.0
   58    69   -72    73   0.15250 -1.0 2.0
   58    69   -72    73  -0.50650  1.0 3.0
   58    69    72    75   0.46850  1.0 1.0
   58    69    72    75   0.08550 -1.0 2.0
   58    69    72    75   0.09800  1.0 3.0
   59    58    69    70   0.15000  1.0 3.0
   59    58    69    71   0.15000  1.0 3.0
   59    58    69    72   0.15000  1.0 3.0
   60    58    69    70   0.15000  1.0 3.0
   60    58    69    71   0.15000  1.0 3.0
   60    58    69    72   0.15000  1.0 3.0
   69    72    73    74   7.00000 -1.0 2.0
   69    72    73    79   7.00000 -1.0 2.0
   69    72    75    76   0.34800  1.0 3.0
   69    72    75    77   0.34800  1.0 3.0
   69    72    75    78   0.34800  1.0 3.0
   70    69    72    73   0.00000  1.0 1.0
   70    69    72    75   0.34800  1.0 3.0
   71    69    72    73   0.00000  1.0 1.0
   71    69    72    75   0.34800  1.0 3.0
   72    73   -79    51   0.09850  1.0 1.0
   72    73   -79    51   0.15250 -1.0 2.0
   72    73   -79    51  -0.50650  1.0 3.0
   72    73    79    80   0.00000  1.0 1.0
   72    73    79    46   0.39000  1.0 1.0
   72    73    79    46  -0.05800 -1.0 2.0
   72    73    79    46  -0.55150  1.0 3.0
   73    72    75    76   0.00000  1.0 1.0
   73    72    75    77   0.00000  1.0 1.0
   73    72    75    78   0.00000  1.0 1.0
   73    79    46    37  -0.77900  1.0 1.0
   73    79    46    37  -0.36900 -1.0 2.0
   73    79    46    37   0.40400  1.0 3.0
   74    73    79    51   0.00000  1.0 1.0
   74    73    79    80   0.33100  1.0 3.0
   74    73    79    46   0.00000  1.0 1.0
   79    51    58    59   0.15000  1.0 3.0
   79    51    58    60   0.15000  1.0 3.0
   79    51   -58    69   0.56750  1.0 1.0
   79    51   -58    69  -0.07550 -1.0 2.0
   79    51   -58    69   0.20000  1.0 3.0
   79    51    61    62   0.15000  1.0 3.0
   79    51    61    63   0.15000  1.0 3.0
   79    51    61    64   0.15000  1.0 3.0
   80    79    46    37   0.37050  1.0 3.0
   46    37    43    44   0.23400  1.0 3.0
   46    37    43    45   0.23400  1.0 3.0
   46    37    43    47   0.62750  1.0 1.0
   46    37    43    47  -0.30950 -1.0 2.0
   46    37    43    47   0.27300  1.0 3.0
   75    72    73    74   7.00000 -1.0 2.0
   75    72    73    79   7.00000 -1.0 2.0
   61    51    58    59   0.15000  1.0 3.0
   61    51    58    60   0.15000  1.0 3.0
   61    51    58    69   0.56750  1.0 1.0
   61    51    58    69  -0.07550 -1.0 2.0
   61    51    58    69   0.20000  1.0 3.0
   61    51    79    73   0.34400  1.0 1.0
   61    51    79    73   0.09450 -1.0 2.0
   61    51    79    73   0.11100  1.0 3.0
   61    51    79    80   0.15000  1.0 3.0
   61    51    79    46   0.62750  1.0 1.0
   61    51    79    46  -0.30950 -1.0 2.0
   61    51    79    46   0.27300  1.0 3.0
   52    49    51    58   0.56750  1.0 1.0
   52    49    51    58  -0.07550 -1.0 2.0
   52    49    51    58   0.20000  1.0 3.0
   52    49    51    79   0.56750  1.0 1.0
   52    49    51    79  -0.07550 -1.0 2.0
   52    49    51    79   0.20000  1.0 3.0
   52    49    51    61   0.56750  1.0 1.0
   52    49    51    61  -0.07550 -1.0 2.0
   52    49    51    61   0.20000  1.0 3.0
   50    47    49    33   0.62750  1.0 1.0
   50    47    49    33  -0.30950 -1.0 2.0
   50    47    49    33   0.27300  1.0 3.0
   50    47    49    51   0.62750  1.0 1.0
   50    47    49    51  -0.30950 -1.0 2.0
   50    47    49    51   0.27300  1.0 3.0
   50    47    49    52   0.62750  1.0 1.0
   50    47    49    52  -0.30950 -1.0 2.0
   50    47    49    52   0.27300  1.0 3.0
   50    56    65    66   0.00000  1.0 1.0
   50    56    65    67   0.00000  1.0 1.0
   50    56    65    68   0.00000  1.0 1.0
   57    56    65    66   0.00000  1.0 1.0
   57    56    65    67   0.00000  1.0 1.0
   57    56    65    68   0.00000  1.0 1.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  1.0 3.0
   39    33    37    46   0.62750  1.0 1.0
   39    33    37    46  -0.30950 -1.0 2.0
   39    33    37    46   0.27300  1.0 3.0
   39    33    49    47   0.56750  1.0 1.0
   39    33    49    47  -0.07550 -1.0 2.0
   39    33    49    47   0.20000  1.0 3.0
   39    33    49    51   0.56750  1.0 1.0
   39    33    49    51  -0.07550 -1.0 2.0
   39    33    49    51   0.20000  1.0 3.0
   39    33    49    52   0.56750  1.0 1.0
   39    33    49    52  -0.07550 -1.0 2.0
   39    33    49    52   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   69    75    72    73   1.10000 -1.0 2.0
   79    74    73    72   1.10000 -1.0 2.0
   50    65    56    57  10.50000 -1.0 2.0
END
