* LIGAND DATABASE FILE (OPLS2005)
*
001      81    81    146    209     419
    1     0 S   NP   _N1_     1    28.80346    97.04521   -21.75523
    2     1 S   H    _HN1     2     1.02805   100.00969  -103.40320
    3     1 S   H    _H1_     3     1.02859    71.03097     2.53644
    4     1 S   H    _H2_     4     1.02938    42.02548   151.17417
    5     1 S   CT   _CA1     5     1.50452   144.32430   102.77233
    6     5 S   HC   _HA1     6     1.09699   104.63140    95.03936
    7     5 S   CO3  _C1_     7     1.54300   110.83640   -21.05018
    8     7 S   O2Z  _O11     8     1.26022   116.58357  -110.82993
    9     7 S   O2Z  _O12     9     1.26536   113.81217    67.71017
   10     5 S   CT   _CB1    10     1.53114   107.03167  -149.02334
   11    10 S   HC   HB11    11     1.09846   109.74061   -44.56630
   12    10 S   HC   HB12    12     1.09766   110.44818    72.10989
   13    10 S   CT   _CG1    13     1.53002   112.24711  -165.06386
   14    13 S   HC   HG11    14     1.09532   111.01824   -62.54208
   15    13 S   HC   HG12    15     1.09679   109.59079    56.57151
   16    13 S   C    _CD1    16     1.51765   112.21447   176.85913
   17    16 S   O    _OE1    17     1.22729   123.30681     8.65780
   18    16 S   N    _N2_    18     1.38649   111.65739  -171.47829
   19    18 S   H    _HN2    19     1.01580   118.96269     2.13936
   20    18 S   CT1  _CA2    20     1.46266   123.43904   178.46596
   21    20 S   HC   _HA2    21     1.09730   109.33803     5.57383
   22    20 S   C    _C2_    22     1.53598   109.01074  -110.13598
   23    22 S   O    _O2_    23     1.23078   122.16238  -150.27508
   24    20 S   CT   _CB2    32     1.53468   111.26170   127.51508
   25    24 S   HC   HB21    33     1.09324   109.18020    57.33182
   26    24 S   HC   HB22    34     1.09442   110.13382   176.08708
   27    22 S   N    _N3_    24     1.38284   113.88733    37.16533
   28    27 S   H    _HN3    25     1.01562   119.58709    -3.24552
   29    24 S   S    _SG2    35     1.82883   111.00175   -64.27658
   30    27 S   CT   _CA3    26     1.45287   123.27089   177.22047
   31    30 S   HC   HA31    27     1.09546   107.47749   -65.59021
   32    30 S   HC   HA32    28     1.09555   108.03544    50.87101
   33    29 S   CT   _C17    36     1.86690   101.86801   166.24791
   34    30 S   CO3  _C3_    29     1.52971   114.04782   172.88093
   35    34 S   O2Z  _O31    30     1.26383   116.06191    -1.02202
   36    34 S   O2Z  _O32    31     1.26426   114.41466   179.06017
   37    33 S   CO4  _C16    37     1.52848   106.49557   176.42363
   38    37 S   O    _O34    38     1.22545   125.56267   -31.55987
   39    33 S   CT   _C18    78     1.54095   108.00119    61.70279
   40    39 S   HC   _H15    79     1.09504   111.83971   -71.68647
   41    39 S   HC   _H16    80     1.09589   111.95002   168.31185
   42    39 S   HC   _H17    81     1.09702   111.67637    49.86117
   43    37 S   CO4  _C15    39     1.50877   117.36837   153.12730
   44    43 S   O    _O35    40     1.22274   118.74106  -172.11335
   45    43 S   CM   _C14    41     1.48261   118.15205    10.16696
   46    45 S   CMA  _C13    42     1.35184   120.04955   -27.02927
   47    46 S   OM   _O33    43     1.26439   129.79945   178.12028
   48    45 S   OS   _O36    73     1.38579   118.34499   156.53311
   49    33 S   CT   _C12    44     1.56665   113.62174   -63.37896
   50    49 S   HC   _H3_    45     1.10131   106.39070    68.34875
   51    48 S   CT   _C19    74     1.42537   111.26776   -67.96137
   52    51 S   HC   _H18    75     1.09403   107.87366  -172.19503
   53    51 S   HC   _H19    76     1.09439   111.32511    69.57703
   54    51 S   HC   _H20    77     1.09573   111.16646   -53.85431
   55    49 S   CT   _C11    46     1.56502   113.28158   -48.60638
   56    55 S   HC   _H13    47     1.09587   109.73885    57.80693
   57    55 S   HC   _H14    48     1.09352   110.41438   -57.67870
   58    55 S   CM   _C10    49     1.50664   114.29199   175.42800
   59    58 S   HC   _H12    50     1.08952   113.89475   -66.13246
   60    58 S   CM   _C9_    51     1.34760   128.09316   115.19890
   61    60 S   CT   _C20    52     1.50427   124.84515    -2.88656
   62    61 S   HC   _H21    53     1.09390   110.51261   113.64570
   63    61 S   HC   _H22    54     1.09539   110.06177  -126.81005
   64    61 S   HC   _H23    55     1.09174   113.60123    -7.47144
   65    60 S   CT   _C8_    56     1.51798   119.96235   179.28345
   66    65 S   HC   _H10    57     1.09771   108.54564   133.91678
   67    65 S   HC   _H11    58     1.09839   110.59238    18.92184
   68    65 S   CT   _C7_    59     1.53429   113.61701  -104.70698
   69    68 S   HC   _H8_    60     1.09356   110.81404   -54.00794
   70    68 S   HC   _H9_    61     1.09774   108.31766  -169.03806
   71    68 S   CM   _C6_    62     1.50483   112.44446    72.74086
   72    71 S   HC   _H7_    63     1.08964   113.88927    72.03829
   73    71 S   CM   _C5_    64     1.34652   128.14852  -108.21755
   74    73 S   CT   _C4_    65     1.50551   120.38353  -179.60386
   75    74 S   HC   _H4_    66     1.09484   110.28469   120.76741
   76    74 S   HC   _H5_    67     1.09505   112.44696     0.65042
   77    74 S   HC   _H6_    68     1.09406   110.19852  -119.37799
   78    73 S   CT   _C21    69     1.50222   125.32701     1.25086
   79    78 S   HC   _H24    70     1.09488   109.90410   118.28887
   80    78 S   HC   _H25    71     1.09498   110.13440  -122.31046
   81    78 S   HC   _H26    72     1.09125   113.67550    -1.86666
  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  12   5   4   3
  17   2   1   1  13   5   8   3   2   1   7   3  10   9   4   5
   7   4   3   2   1   1   7   4   3  10   3  11   7   3   2   1
   8   5   4   7   4   3  10   3   8   7   3   2   1   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    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    46    49    50    55    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    46    47    49    50    55    56    57    58    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    46    49    50    55    48    39    40    41    42  
   43    44    45    49    39  
   40    41    42    43    46    49    50    55  
   41    42    49  
   42    49  
   49  
   44    45    46    47    49    48    51  
   45    46    48  
   46    47    49    50    55    48    51    52    53    54  
   47    49    50    55    56    57    58    48    51  
   49    50    55    48  
   51    52    53    54    49  
   50    55    56    57    58    59    60  
   55    56    57    58  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58    59    60    61    65  
   57    58    59    60  
   58    59    60  
   59    60    61    62    63    64    65    66    67    68  
   60    61    65  
   61    62    63    64    65    66    67    68    69    70    71  
   62    63    64    65    66    67    68  
   63    64    65  
   64    65  
   65  
   66    67    68    69    70    71    72    73  
   67    68    69    70    71  
   68    69    70    71  
   69    70    71    72    73    74    78  
   70    71    72    73  
   71    72    73  
   72    73    74    75    76    77    78    79    80    81  
   73    74    78  
   74    75    76    77    78    79    80    81  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   47   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   48   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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
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   317.000  1.522
   33    49   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    43   250.000  1.523
   43    44   570.000  1.229
   43    45   320.000  1.462
   45    46   465.000  1.376
   45    48   440.000  1.360
   46    47   745.000  1.250
   46    49   270.000  1.512
   49    50   340.000  1.090
   49    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   317.000  1.510
   58    59   340.000  1.080
   58    60   549.000  1.340
   60    61   317.000  1.510
   60    65   317.000  1.510
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   317.000  1.510
   71    72   340.000  1.080
   71    73   549.000  1.340
   73    74   317.000  1.510
   73    78   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   48    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   39    40   340.000  1.090
   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  110.18000
   29    33    49    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    43    65.00000  115.45000
   33    49    46    70.00000  112.02700
   33    49    50    37.50000  110.70000
   33    49    55    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    80.00000  119.30300
   37    43    45    65.00000  116.00000
   43    37    38    80.00000  119.30300
   43    45    46    60.00000  125.92000
   43    45    48    85.00000  116.28000
   45    43    44    80.00000  123.72100
   45    46    47    65.00000  137.10300
   45    46    49    65.00000  122.18000
   45    48    51    90.00000  111.18400
   46    49    50    45.00000  110.52000
   46    49    55    70.00000  112.02700
   49    33    37    63.00000  111.10000
   49    46    47    85.00000  112.85300
   49    55    56    37.50000  110.70000
   49    55    57    37.50000  110.70000
   49    55    58    70.00000  112.02700
   55    49    50    37.50000  110.70000
   55    58    59    35.00000  117.00000
   55    58    60    70.00000  124.00000
   57    55    56    33.00000  107.80000
   58    55    56    35.00000  109.50000
   58    55    57    35.00000  109.50000
   58    60    61    70.00000  124.00000
   58    60    65    70.00000  124.00000
   60    58    59    35.00000  120.00000
   60    61    62    35.00000  109.50000
   60    61    63    35.00000  109.50000
   60    61    64    35.00000  109.50000
   60    65    66    35.00000  109.50000
   60    65    67    35.00000  109.50000
   60    65    68    70.00000  112.02700
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    60    61    65.00000  117.92700
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    70.00000  112.02700
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    71    72    35.00000  117.00000
   68    71    73    70.00000  124.00000
   70    68    69    33.00000  107.80000
   71    68    69    35.00000  109.50000
   71    68    70    35.00000  109.50000
   71    73    74    70.00000  124.00000
   71    73    78    70.00000  124.00000
   73    71    72    35.00000  120.00000
   73    74    75    35.00000  109.50000
   73    74    76    35.00000  109.50000
   73    74    77    35.00000  109.50000
   73    78    79    35.00000  109.50000
   73    78    80    35.00000  109.50000
   73    78    81    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    73    74    65.00000  117.92700
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   48    45    46    80.00000  120.01400
   48    51    52    35.00000  109.50000
   48    51    53    35.00000  109.50000
   48    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    49    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   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   0.30150 -1.0 2.0
   29    33    37    43   0.65300  1.0 1.0
   29    33    37    43  -0.03850 -1.0 2.0
   29    33    37    43   0.33900  1.0 3.0
   29    33    49    46   0.56750  1.0 1.0
   29    33    49    46  -0.07550 -1.0 2.0
   29    33    49    46   0.20000  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    55   0.44750  1.0 1.0
   29    33    49    55  -0.17800 -1.0 2.0
   29    33    49    55   0.20200  1.0 3.0
   29    33    39    40   0.15000  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   0.49600 -1.0 2.0
   33    37    43    45   0.43900  1.0 1.0
   33    37    43    45  -0.18150 -1.0 2.0
   33    37    43    45  -0.03650  1.0 3.0
   33    49    55    56   0.15000  1.0 3.0
   33    49    55    57   0.15000  1.0 3.0
   33    49    55    58   0.34400  1.0 1.0
   33    49    55    58   0.09450 -1.0 2.0
   33    49    55    58   0.11100  1.0 3.0
   37    33    49    46  -0.98800  1.0 1.0
   37    33    49    46   0.48800 -1.0 2.0
   37    33    49    46   0.76800  1.0 3.0
   37    33    49    50  -0.11250  1.0 3.0
   37    33    49    55  -0.95700  1.0 1.0
   37    33    49    55  -0.18200 -1.0 2.0
   37    33    49    55   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    39    42  -0.11250  1.0 3.0
   37    43   -45    46   0.50400  1.0 1.0
   37    43   -45    46   1.60000 -1.0 2.0
   37    43   -45    46  -0.01800  1.0 3.0
   37    43    45    48   1.50000 -1.0 2.0
   38    37    43    44   0.06100 -1.0 2.0
   38    37    43    45   0.03000  1.0 1.0
   38    37    43    45   0.58800 -1.0 2.0
   38    37    43    45   0.15550  1.0 3.0
   43    45    46    47   7.00000 -1.0 2.0
   43    45    46    49   7.00000 -1.0 2.0
   43    45    48    51   0.15100 -1.0 2.0
   44    43    45    46   1.00000 -1.0 2.0
   44    43    45    48  -0.11900  1.0 1.0
   44    43    45    48   0.76850 -1.0 2.0
   44    43    45    48   0.14100  1.0 3.0
   45    46   -49    33   0.09850  1.0 1.0
   45    46   -49    33   0.15250 -1.0 2.0
   45    46   -49    33  -0.50650  1.0 3.0
   45    46    49    50   0.00000  1.0 1.0
   45    46    49    55   0.09850  1.0 1.0
   45    46    49    55   0.15250 -1.0 2.0
   45    46    49    55  -0.50650  1.0 3.0
   45    48    51    52   0.08050  1.0 3.0
   45    48    51    53   0.08050  1.0 3.0
   45    48    51    54   0.08050  1.0 3.0
   46    45    48    51  -2.26850  1.0 1.0
   46    45    48    51   3.39050 -1.0 2.0
   46    49    55    56   0.15000  1.0 3.0
   46    49    55    57   0.15000  1.0 3.0
   46    49    55    58   0.31000  1.0 1.0
   46    49    55    58   0.14700 -1.0 2.0
   46    49    55    58   0.07550  1.0 3.0
   47    46    49    33   0.09700  1.0 1.0
   47    46    49    33   0.15600 -1.0 2.0
   47    46    49    33  -0.50800  1.0 3.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    55   0.09700  1.0 1.0
   47    46    49    55   0.15600 -1.0 2.0
   47    46    49    55  -0.50800  1.0 3.0
   49    33    37    38   0.30150 -1.0 2.0
   49    33   -37    43   0.65300  1.0 1.0
   49    33   -37    43  -0.03850 -1.0 2.0
   49    33   -37    43   0.33900  1.0 3.0
   49    33    39    40   0.15000  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    55    58    59   0.00000  1.0 1.0
   49    55    58    60   0.09850  1.0 1.0
   49    55    58    60   0.15250 -1.0 2.0
   49    55    58    60  -0.50650  1.0 3.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    57   0.15000  1.0 3.0
   50    49    55    58   0.15000  1.0 3.0
   55    58    60    61   7.00000 -1.0 2.0
   55    58    60    65   7.00000 -1.0 2.0
   56    55    58    59   0.33100  1.0 3.0
   56    55    58    60   0.00000  1.0 1.0
   57    55    58    59   0.33100  1.0 3.0
   57    55    58    60   0.00000  1.0 1.0
   58    60    61    62   0.00000  1.0 1.0
   58    60    61    63   0.00000  1.0 1.0
   58    60    61    64   0.00000  1.0 1.0
   58    60    65    66   0.00000  1.0 1.0
   58    60    65    67   0.00000  1.0 1.0
   58    60    65    68   0.09850  1.0 1.0
   58    60    65    68   0.15250 -1.0 2.0
   58    60    65    68  -0.50650  1.0 3.0
   59    58    60    61   7.00000 -1.0 2.0
   59    58    60    65   7.00000 -1.0 2.0
   60    65    68    69   0.15000  1.0 3.0
   60    65    68    70   0.15000  1.0 3.0
   60    65    68    71   0.31000  1.0 1.0
   60    65    68    71   0.14700 -1.0 2.0
   60    65    68    71   0.07550  1.0 3.0
   61    60    65    66   0.34800  1.0 3.0
   61    60    65    67   0.34800  1.0 3.0
   61    60    65    68   0.46850  1.0 1.0
   61    60    65    68   0.08550 -1.0 2.0
   61    60    65    68   0.09800  1.0 3.0
   65    60    61    62   0.34800  1.0 3.0
   65    60    61    63   0.34800  1.0 3.0
   65    60    61    64   0.34800  1.0 3.0
   65    68    71    72   0.00000  1.0 1.0
   65    68    71    73   0.09850  1.0 1.0
   65    68    71    73   0.15250 -1.0 2.0
   65    68    71    73  -0.50650  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    71   0.15000  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    70   0.15000  1.0 3.0
   67    65    68    71   0.15000  1.0 3.0
   68    71    73    74   7.00000 -1.0 2.0
   68    71    73    78   7.00000 -1.0 2.0
   69    68    71    72   0.33100  1.0 3.0
   69    68    71    73   0.00000  1.0 1.0
   70    68    71    72   0.33100  1.0 3.0
   70    68    71    73   0.00000  1.0 1.0
   71    73    74    75   0.00000  1.0 1.0
   71    73    74    76   0.00000  1.0 1.0
   71    73    74    77   0.00000  1.0 1.0
   71    73    78    79   0.00000  1.0 1.0
   71    73    78    80   0.00000  1.0 1.0
   71    73    78    81   0.00000  1.0 1.0
   72    71    73    74   7.00000 -1.0 2.0
   72    71    73    78   7.00000 -1.0 2.0
   74    73    78    79   0.34800  1.0 3.0
   74    73    78    80   0.34800  1.0 3.0
   74    73    78    81   0.34800  1.0 3.0
   78    73    74    75   0.34800  1.0 3.0
   78    73    74    76   0.34800  1.0 3.0
   78    73    74    77   0.34800  1.0 3.0
   48    45    46    47   7.00000 -1.0 2.0
   48    45    46    49   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    43   0.65300  1.0 1.0
   39    33    37    43  -0.03850 -1.0 2.0
   39    33    37    43   0.33900  1.0 3.0
   39    33    49    46   0.34400  1.0 1.0
   39    33    49    46   0.09450 -1.0 2.0
   39    33    49    46   0.11100  1.0 3.0
   39    33    49    50   0.15000  1.0 3.0
   39    33    49    55   0.56750  1.0 1.0
   39    33    49    55  -0.07550 -1.0 2.0
   39    33    49    55   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
   33    43    37    38  10.50000 -1.0 2.0
   37    45    43    44  10.50000 -1.0 2.0
   43    48    45    46   1.10000 -1.0 2.0
   49    47    46    45   1.10000 -1.0 2.0
   55    59    58    60  15.00000 -1.0 2.0
   61    65    60    58  15.00000 -1.0 2.0
   68    72    71    73  15.00000 -1.0 2.0
   74    78    73    71  15.00000 -1.0 2.0
END
