* LIGAND DATABASE FILE (OPLS2005)
*
001      83    82    148    216     433
    1     0 S   NP   _N1_     1    29.51726    98.68507   -19.95708
    2     1 S   H    _HN1     2     1.02833    57.28250   166.07689
    3     1 S   H    _H1_     3     1.02784    78.29622   -73.60070
    4     1 S   H    _H2_     4     1.02940    71.67183    40.37444
    5     1 S   CT   _CA1     5     1.50168   167.02150   142.15689
    6     5 S   HC   _HA1     6     1.09587   105.13832    81.02013
    7     5 S   CO3  _C1_     7     1.53771   111.91697   -38.87732
    8     7 S   O2Z  _O11     8     1.26371   115.05718   -53.22397
    9     7 S   O2Z  _O12     9     1.26220   114.90511   125.24692
   10     5 S   CT   _CB1    10     1.53063   107.29854  -161.40881
   11    10 S   HC   HB11    11     1.09831   109.26749   -50.20891
   12    10 S   HC   HB12    12     1.09807   110.63495    66.39399
   13    10 S   CT   _CG1    13     1.52944   112.53757  -171.15027
   14    13 S   HC   HG11    14     1.09592   110.52094   -65.79438
   15    13 S   HC   HG12    15     1.09669   109.88083    53.32162
   16    13 S   C    _CD1    16     1.51920   112.14815   173.52074
   17    16 S   O    _OE1    17     1.22749   123.27799     2.94344
   18    16 S   N    _N2_    18     1.38335   111.60883  -177.03740
   19    18 S   H    _HN2    19     1.02066   118.79545     0.89153
   20    18 S   CT1  _CA2    20     1.46137   124.10691   178.70759
   21    20 S   HC   _HA2    21     1.09760   109.22703   -12.96977
   22    20 S   C    _C2_    22     1.53501   108.31964  -127.90978
   23    22 S   O    _O2_    23     1.23046   122.50977  -148.04901
   24    20 S   CT   _CB2    32     1.53264   111.09924   109.37066
   25    24 S   HC   HB21    33     1.09652   109.94098    47.57290
   26    24 S   HC   HB22    34     1.09493   111.09027   166.18387
   27    22 S   N    _N3_    24     1.38500   113.32434    40.45839
   28    27 S   H    _HN3    25     1.01627   119.28421    -7.19767
   29    24 S   S    _SG2    35     1.82779   111.10895   -75.39356
   30    27 S   CT   _CA3    26     1.45258   123.09126   176.87469
   31    30 S   HC   HA31    27     1.09562   108.03080   -51.05310
   32    30 S   HC   HA32    28     1.09555   107.42191    65.30251
   33    29 S   CM   _C10    36     1.76271   100.31726   136.54410
   34    30 S   CO3  _C3_    29     1.52932   114.29793  -173.26457
   35    34 S   O2Z  _O31    30     1.26357   116.19195    -3.68190
   36    34 S   O2Z  _O32    31     1.26478   114.39408   176.20450
   37    33 S   CM   _C11    37     1.35371   120.88112  -109.44113
   38    37 S   HC   _H13    38     1.08695   117.16651  -179.96044
   39    33 S   CT   _C9_    67     1.54735   116.15420    69.16412
   40    39 S   OM   _O35    68     1.32642   106.95427   101.30594
   41    39 S   HC   _H3_    69     1.10097   106.06034   -26.59194
   42    37 S   CM   _C12    39     1.45111   128.29624    -0.40734
   43    42 S   HC   _H14    40     1.08641   117.66640    -2.78593
   44    39 S   CT   _C8_    70     1.56129   112.29843  -139.31008
   45    44 S   HC   _H11    71     1.09997   112.02292   -75.44110
   46    44 S   HC   _H12    72     1.09691   109.38315    40.85679
   47    42 S   CM   _C13    41     1.34286   125.89110   176.30107
   48    47 S   HC   _H15    42     1.08918   117.12741  -178.75605
   49    44 S   CM   _C7_    73     1.51027   112.78238   163.28476
   50    49 S   HC   _H10    74     1.08883   115.19704    74.18659
   51    47 S   CT   _C14    43     1.50318   127.68826     0.74808
   52    51 S   HC   _H16    44     1.09727   108.30739   158.76814
   53    51 S   HC   _H17    45     1.09657   110.03462    43.93019
   54    49 S   CM   _C6_    75     1.34207   127.47234  -106.67664
   55    54 S   HC   _H9_    76     1.08885   117.13579  -179.26511
   56    51 S   CT   _C15    46     1.53248   113.86412   -79.30616
   57    56 S   HC   _H18    47     1.09545   109.06343    63.31624
   58    56 S   HC   _H19    48     1.09693   108.46101   179.06959
   59    54 S   CT   _C5_    77     1.50051   127.52293     2.09462
   60    59 S   HC   _H7_    78     1.09386   112.19805    11.31494
   61    59 S   HC   _H8_    79     1.09638   108.36687   128.19768
   62    56 S   CT   _C16    49     1.53098   113.24729   -59.61574
   63    62 S   HC   _H20    50     1.09465   110.26135    59.83711
   64    62 S   HC   _H21    51     1.09717   109.07644   -56.57074
   65    59 S   CT   _C4_    80     1.52061   111.12471  -111.74171
   66    65 S   HC   _H4_    81     1.09534   111.30098   -58.10152
   67    65 S   HC   _H5_    82     1.09529   111.11329    62.49550
   68    65 S   HC   _H6_    83     1.09440   110.28729  -177.76647
   69    62 S   CT   _C17    52     1.53177   113.38386  -177.30957
   70    69 S   HC   _H22    53     1.09719   108.31339   178.88145
   71    69 S   HC   _H23    54     1.09707   108.94846    63.66490
   72    69 S   CT   _C18    55     1.53251   115.67368   -58.73522
   73    72 S   HC   _H24    56     1.09615   109.94534    66.09063
   74    72 S   HC   _H25    57     1.09738   107.97166  -178.55979
   75    72 S   CT   _C19    58     1.53039   113.62828   -57.41692
   76    75 S   HC   _H26    59     1.09682   109.53165   -55.14460
   77    75 S   HC   _H27    60     1.09604   110.20399    62.37093
   78    75 S   CT   _C20    61     1.52588   111.21462  -176.79961
   79    78 S   HC   _H28    62     1.09669   109.25408   -58.94242
   80    78 S   HC   _H29    63     1.09693   109.61425    58.46584
   81    78 S   CO3  _C21    64     1.53103   115.09835   179.83331
   82    81 S   O2Z  _O34    65     1.26471   114.14452   177.63561
   83    81 S   O2Z  _O33    66     1.26136   116.58396    -2.37191
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   8   5   4   3
  12   2   1   1  10   4   9   5   4   7   3   7   4   3   8   4
   7   3   9   5   4   8   4   9   5   4   6   5   4   9   5   4
   3   2   1   1   9   5   4   9   5   4   8   5   4   5   4   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    47    39    40    41    44    45    46    49  
   35    36  
   36  
    0  
   38    42    43    47    48    51    39    40    41    44  
   42    43    47    39  
   40    41    44    45    46    49    50    54    42  
   41    44    45    46    49  
   44    45    46    49  
   43    47    48    51    52    53    56  
   47    48    51  
   45    46    49    50    54    55    59  
   46    49    50    54  
   49    50    54  
   48    51    52    53    56    57    58    62  
   51    52    53    56  
   50    54    55    59    60    61    65  
   54    55    59  
   52    53    56    57    58    62    63    64    69  
   53    56    57    58    62  
   56    57    58    62  
   55    59    60    61    65    66    67    68  
   59    60    61    65  
   57    58    62    63    64    69    70    71    72  
   58    62    63    64    69  
   62    63    64    69  
   60    61    65    66    67    68  
   61    65    66    67    68  
   65    66    67    68  
   63    64    69    70    71    72    73    74    75  
   64    69    70    71    72  
   69    70    71    72  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73    74    75    76    77    78  
   71    72    73    74    75  
   72    73    74    75  
   73    74    75    76    77    78    79    80    81  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78    79    80    81    82    83  
   77    78    79    80    81  
   78    79    80    81  
   79    80    81    82    83  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    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  -0.175000   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   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   4.2000   0.3000  -0.080000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   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   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5000   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  -0.120000   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   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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   240.000  1.763
   33    37   549.000  1.340
   33    39   317.000  1.510
   37    38   340.000  1.080
   37    42   380.000  1.444
   42    43   340.000  1.080
   42    47   549.000  1.340
   47    48   340.000  1.080
   47    51   317.000  1.510
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   317.000  1.522
   81    82   656.000  1.250
   81    83   656.000  1.250
   39    40   570.000  1.307
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    49   317.000  1.510
   49    50   340.000  1.080
   49    54   549.000  1.340
   54    55   340.000  1.080
   54    59   317.000  1.510
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   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    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    65.00000  122.11800
   29    33    39    65.00000  117.37300
   33    37    38    35.00000  120.00000
   33    37    42    70.00000  123.01800
   33    39    40    85.00000  110.90400
   33    39    41    35.00000  109.50000
   33    39    44    70.00000  112.02700
   37    42    43    35.00000  120.00000
   37    42    47    70.00000  123.01800
   42    37    38    35.00000  120.00000
   42    47    48    35.00000  120.00000
   42    47    51    70.00000  124.00000
   47    42    43    35.00000  120.00000
   47    51    52    35.00000  109.50000
   47    51    53    35.00000  109.50000
   47    51    56    70.00000  112.02700
   51    47    48    35.00000  117.00000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    62    58.35000  112.70000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    62    63    37.50000  110.70000
   56    62    64    37.50000  110.70000
   56    62    69    58.35000  112.70000
   58    56    57    33.00000  107.80000
   62    56    57    37.50000  110.70000
   62    56    58    37.50000  110.70000
   62    69    70    37.50000  110.70000
   62    69    71    37.50000  110.70000
   62    69    72    58.35000  112.70000
   64    62    63    33.00000  107.80000
   69    62    63    37.50000  110.70000
   69    62    64    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    70.00000  109.69300
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   78    81    82    70.00000  117.00000
   78    81    83    70.00000  117.00000
   80    78    79    33.00000  107.80000
   81    78    79    35.00000  109.50000
   81    78    80    35.00000  109.50000
   83    81    82    80.00000  126.00000
   39    33    37    70.00000  124.00000
   39    44    45    37.50000  110.70000
   39    44    46    37.50000  110.70000
   39    44    49    70.00000  112.02700
   41    39    40    45.00000  125.66300
   44    39    40    50.00000  109.50000
   44    39    41    37.50000  110.70000
   44    49    50    35.00000  117.00000
   44    49    54    70.00000  124.00000
   46    44    45    33.00000  107.80000
   49    44    45    35.00000  109.50000
   49    44    46    35.00000  109.50000
   49    54    55    35.00000  120.00000
   49    54    59    70.00000  124.00000
   54    49    50    35.00000  120.00000
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   54    59    65    70.00000  112.02700
   59    54    55    35.00000  117.00000
   59    65    66    37.50000  110.70000
   59    65    67    37.50000  110.70000
   59    65    68    37.50000  110.70000
   61    59    60    33.00000  107.80000
   65    59    60    37.50000  110.70000
   65    59    61    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    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   0.00000  1.0 1.0
   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   1.00000 -1.0 2.0
   24    29    33    39   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   7.00000 -1.0 2.0
   29    33    37    42   7.00000 -1.0 2.0
   29    33    39    40   0.09700  1.0 1.0
   29    33    39    40   0.15600 -1.0 2.0
   29    33    39    40  -0.50800  1.0 3.0
   29    33    39    41   0.00000  1.0 1.0
   29    33    39    44   0.09700  1.0 1.0
   29    33    39    44   0.15600 -1.0 2.0
   29    33    39    44  -0.50800  1.0 3.0
   33    37    42    43  -0.18600  1.0 3.0
   33    37    42    47   0.28850  1.0 1.0
   33    37    42    47   2.61350 -1.0 2.0
   33    37    42    47   0.78400  1.0 3.0
   33    39    44    45   0.15000  1.0 3.0
   33    39    44    46   0.15000  1.0 3.0
   33    39    44    49   0.31000  1.0 1.0
   33    39    44    49   0.14700 -1.0 2.0
   33    39    44    49   0.07550  1.0 3.0
   37    33    39    40   0.39000  1.0 1.0
   37    33    39    40  -0.05800 -1.0 2.0
   37    33    39    40  -0.55150  1.0 3.0
   37    33    39    41   0.00000  1.0 1.0
   37    33    39    44   0.09850  1.0 1.0
   37    33    39    44   0.15250 -1.0 2.0
   37    33    39    44  -0.50650  1.0 3.0
   37    42    47    48   7.00000 -1.0 2.0
   37    42    47    51   7.00000 -1.0 2.0
   38    37    42    43   0.00000  1.0 1.0
   38    37    42    47  -0.18600  1.0 3.0
   42    47    51    52   0.00000  1.0 1.0
   42    47    51    53   0.00000  1.0 1.0
   42    47    51    56   0.09850  1.0 1.0
   42    47    51    56   0.15250 -1.0 2.0
   42    47    51    56  -0.50650  1.0 3.0
   43    42    47    48   7.00000 -1.0 2.0
   43    42    47    51   7.00000 -1.0 2.0
   47    51    56    57   0.15000  1.0 3.0
   47    51    56    58   0.15000  1.0 3.0
   47    51    56    62   0.34400  1.0 1.0
   47    51    56    62   0.09450 -1.0 2.0
   47    51    56    62   0.11100  1.0 3.0
   48    47    51    52   0.33100  1.0 3.0
   48    47    51    53   0.33100  1.0 3.0
   48    47    51    56   0.00000  1.0 1.0
   51    56    62    63   0.15000  1.0 3.0
   51    56    62    64   0.15000  1.0 3.0
   51    56    62    69   0.56750  1.0 1.0
   51    56    62    69  -0.07550 -1.0 2.0
   51    56    62    69   0.20000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    62   0.15000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    62   0.15000  1.0 3.0
   56    62    69    70   0.15000  1.0 3.0
   56    62    69    71   0.15000  1.0 3.0
   56    62    69    72   0.56750  1.0 1.0
   56    62    69    72  -0.07550 -1.0 2.0
   56    62    69    72   0.20000  1.0 3.0
   57    56    62    63   0.15000  1.0 3.0
   57    56    62    64   0.15000  1.0 3.0
   57    56    62    69   0.15000  1.0 3.0
   58    56    62    63   0.15000  1.0 3.0
   58    56    62    64   0.15000  1.0 3.0
   58    56    62    69   0.15000  1.0 3.0
   62    69    72    73   0.15000  1.0 3.0
   62    69    72    74   0.15000  1.0 3.0
   62    69    72    75   0.56750  1.0 1.0
   62    69    72    75  -0.07550 -1.0 2.0
   62    69    72    75   0.20000  1.0 3.0
   63    62    69    70   0.15000  1.0 3.0
   63    62    69    71   0.15000  1.0 3.0
   63    62    69    72   0.15000  1.0 3.0
   64    62    69    70   0.15000  1.0 3.0
   64    62    69    71   0.15000  1.0 3.0
   64    62    69    72   0.15000  1.0 3.0
   69    72    75    76   0.15000  1.0 3.0
   69    72    75    77   0.15000  1.0 3.0
   69    72    75    78   0.56750  1.0 1.0
   69    72    75    78  -0.07550 -1.0 2.0
   69    72    75    78   0.20000  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    75   0.15000  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74   0.15000  1.0 3.0
   71    69    72    75   0.15000  1.0 3.0
   72    75    78    79   0.15000  1.0 3.0
   72    75    78    80   0.15000  1.0 3.0
   72    75    78    81  -1.63150  1.0 1.0
   72    75    78    81  -0.43550 -1.0 2.0
   72    75    78    81   0.24500  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   73    72    75    78   0.15000  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    77   0.15000  1.0 3.0
   74    72    75    78   0.15000  1.0 3.0
   75    78    81    82   0.41150 -1.0 2.0
   75    78    81    83   0.41150 -1.0 2.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    80   0.15000  1.0 3.0
   76    75    78    81  -0.11250  1.0 3.0
   77    75    78    79   0.15000  1.0 3.0
   77    75    78    80   0.15000  1.0 3.0
   77    75    78    81  -0.11250  1.0 3.0
   79    78    81    82   0.00000  1.0 1.0
   79    78    81    83   0.00000  1.0 1.0
   80    78    81    82   0.00000  1.0 1.0
   80    78    81    83   0.00000  1.0 1.0
   39    33    37    38   7.00000 -1.0 2.0
   39    33    37    42   7.00000 -1.0 2.0
   39    44    49    50   0.00000  1.0 1.0
   39    44    49    54   0.09850  1.0 1.0
   39    44    49    54   0.15250 -1.0 2.0
   39    44    49    54  -0.50650  1.0 3.0
   40    39    44    45   0.23400  1.0 3.0
   40    39    44    46   0.23400  1.0 3.0
   40    39    44    49   0.61850  1.0 1.0
   40    39    44    49  -0.22750 -1.0 2.0
   40    39    44    49   0.15300  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    46   0.15000  1.0 3.0
   41    39    44    49   0.15000  1.0 3.0
   44    49    54    55   7.00000 -1.0 2.0
   44    49    54    59   7.00000 -1.0 2.0
   45    44    49    50   0.33100  1.0 3.0
   45    44    49    54   0.00000  1.0 1.0
   46    44    49    50   0.33100  1.0 3.0
   46    44    49    54   0.00000  1.0 1.0
   49    54    59    60   0.00000  1.0 1.0
   49    54    59    61   0.00000  1.0 1.0
   49    54    59    65   0.09850  1.0 1.0
   49    54    59    65   0.15250 -1.0 2.0
   49    54    59    65  -0.50650  1.0 3.0
   50    49    54    55   7.00000 -1.0 2.0
   50    49    54    59   7.00000 -1.0 2.0
   54    59    65    66   0.15000  1.0 3.0
   54    59    65    67   0.15000  1.0 3.0
   54    59    65    68   0.15000  1.0 3.0
   55    54    59    60   0.33100  1.0 3.0
   55    54    59    61   0.33100  1.0 3.0
   55    54    59    65   0.00000  1.0 1.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    67   0.15000  1.0 3.0
   60    59    65    68   0.15000  1.0 3.0
   61    59    65    66   0.15000  1.0 3.0
   61    59    65    67   0.15000  1.0 3.0
   61    59    65    68   0.15000  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
   29    39    33    37  15.00000 -1.0 2.0
   42    38    37    33  15.00000 -1.0 2.0
   37    43    42    47  15.00000 -1.0 2.0
   51    48    47    42  15.00000 -1.0 2.0
   82    78    81    83  10.50000 -1.0 2.0
   44    50    49    54  15.00000 -1.0 2.0
   59    55    54    49  15.00000 -1.0 2.0
END
