* LIGAND DATABASE FILE (OPLS2005)
*
001      89    88    160    234     469
    1     0 S   NP   _N1_     1    32.33734   101.72669   -21.86919
    2     1 S   H    _HN1     2     1.03458   146.96735   -75.36186
    3     1 S   H    _H1_     3     1.02763    39.28634   -75.52469
    4     1 S   H    _H2_     4     1.02884    88.26708   163.68653
    5     1 S   CT   _CA1     5     1.50672    87.68330    53.42305
    6     5 S   HC   _HA1     6     1.09558   104.22133   148.18629
    7     5 S   CO3  _C1_     7     1.54263   111.81840    32.51151
    8     7 S   O2Z  _O11     8     1.26036   116.61411  -135.26343
    9     7 S   O2Z  _O12     9     1.26598   113.97921    44.37866
   10     5 S   CT   _CB1    10     1.53033   106.77263   -95.52938
   11    10 S   HC   HB11    11     1.09469   109.56469   -34.82145
   12    10 S   HC   HB12    12     1.09791   110.44740    80.73461
   13    10 S   CT   _CG1    13     1.53140   113.15064  -156.74652
   14    13 S   HC   HG11    14     1.09492   111.38159   -86.96513
   15    13 S   HC   HG12    15     1.09582   111.25512    32.56124
   16    13 S   C    _CD1    16     1.51587   109.21871   152.95003
   17    16 S   O    _OE1    17     1.22790   121.86866    87.07120
   18    16 S   N    _N2_    18     1.38605   112.52966   -89.71455
   19    18 S   H    _HN2    19     1.01485   118.98876    -3.68552
   20    18 S   CT1  _CA2    20     1.46099   123.54857   172.93470
   21    20 S   HC   _HA2    21     1.09703   109.06376   -11.65934
   22    20 S   C    _C2_    22     1.53856   108.57091  -127.40757
   23    22 S   O    _O2_    23     1.23068   122.09364  -155.08780
   24    20 S   CT   _CB2    32     1.53457   112.47561   110.80923
   25    24 S   HC   HB21    33     1.09424   110.39490    63.35494
   26    24 S   HC   HB22    34     1.09577   109.70207  -179.63203
   27    22 S   N    _N3_    24     1.38341   114.01232    31.29434
   28    27 S   H    _HN3    25     1.01427   119.06740    -0.00000
   29    24 S   S    _SG2    35     1.82664   112.83448   -60.95252
   30    27 S   CT   _CA3    26     1.45363   123.58654   179.65622
   31    30 S   HC   HA31    27     1.09523   107.14480   -78.67440
   32    30 S   HC   HA32    28     1.09562   108.45816    37.88767
   33    29 S   CT   _C15    36     1.86098   100.31154   114.00373
   34    33 S   HC   _H3_    37     1.09773   105.54240   -37.84400
   35    30 S   CO3  _C3_    29     1.53097   114.29640   160.40365
   36    35 S   O2Z  _O31    30     1.26425   116.35334     7.11317
   37    35 S   O2Z  _O32    31     1.26409   114.42370  -172.92343
   38    33 S   CT   _C14    38     1.54944   108.68955    77.18204
   39    38 S   HC   _H22    39     1.09835   110.33501    58.73599
   40    38 S   HC   _H23    40     1.09637   110.37808   -56.95768
   41    33 S   CT   _C16    68     1.57595   114.28083  -153.38602
   42    41 S   OM   _O35    69     1.32626   110.32691   -60.79776
   43    41 S   HC   _H4_    70     1.10107   104.19560   171.03838
   44    38 S   CM   _C13    41     1.50472   114.06935   179.71745
   45    44 S   HC   _H21    42     1.08928   114.97274   -89.21947
   46    41 S   CT   _C17    71     1.55857   110.48907    59.24728
   47    46 S   HC   _H24    72     1.09950   112.39957   -79.52946
   48    46 S   HC   _H25    73     1.09604   109.46816    36.72286
   49    44 S   CM   _C12    43     1.34187   127.87347    91.36980
   50    49 S   HC   _H20    44     1.08961   116.72735   178.54977
   51    46 S   CM   _C18    74     1.50936   112.85094   157.99173
   52    51 S   HC   _H26    75     1.08803   115.66592    87.23914
   53    49 S   CT   _C11    45     1.50154   127.69729    -1.86844
   54    53 S   HC   _H18    46     1.09689   108.12415   118.59905
   55    53 S   HC   _H19    47     1.09197   111.69767     2.49560
   56    51 S   CM   _C19    76     1.34289   126.42583   -93.11050
   57    56 S   HC   _H27    77     1.08840   117.52289  -179.59170
   58    53 S   CM   _C10    48     1.50369   111.12988  -123.05760
   59    58 S   HC   _H17    49     1.08983   115.29191   -61.88216
   60    56 S   CT   _C20    78     1.50336   126.78577     2.51178
   61    60 S   HC   _H28    79     1.09624   107.89804   123.16045
   62    60 S   HC   _H29    80     1.09479   111.65153     7.03693
   63    58 S   CM   _C9_    50     1.34229   128.06527   119.17365
   64    63 S   HC   _H16    51     1.08932   117.02418   179.94766
   65    60 S   CT   _C21    81     1.53118   111.29638  -116.01978
   66    65 S   HC   _H30    82     1.09701   109.92718   -63.14758
   67    65 S   HC   _H31    83     1.09721   109.40098    53.57598
   68    63 S   CT   _C8_    52     1.49944   127.56614    -1.28497
   69    68 S   HC   _H14    53     1.09251   110.81427   -13.24161
   70    68 S   HC   _H15    54     1.09522   108.65063  -128.40653
   71    65 S   CT   _C22    84     1.52599   112.23726   173.80078
   72    71 S   HC   _H32    85     1.09688   108.59934  -173.53007
   73    71 S   HC   _H33    86     1.09610   109.08553   -57.57982
   74    68 S   CT   _C7_    55     1.53175   113.30583   108.35090
   75    74 S   HC   _H12    56     1.09756   109.10505   -59.30791
   76    74 S   HC   _H13    57     1.09615   108.33294  -174.49832
   77    71 S   CO3  _C23    87     1.53088   116.72632    66.34028
   78    77 S   O2Z  _O34    88     1.26485   114.31183  -154.75398
   79    77 S   O2Z  _O33    89     1.26162   116.29565    25.97543
   80    74 S   CT   _C6_    58     1.53273   115.80555    63.37011
   81    80 S   HC   _H10    59     1.09606   110.27803   -61.87374
   82    80 S   HC   _H11    60     1.09739   107.88682  -177.65015
   83    80 S   CT   _C5_    61     1.52820   113.17148    61.66172
   84    83 S   HC   _H8_    62     1.09399   110.26829   -65.45749
   85    83 S   HC   _H9_    63     1.09482   109.81165    52.64359
   86    83 S   CT   _C4_    64     1.52010   111.66074   173.80957
   87    86 S   HC   _H5_    65     1.09462   111.02008   -60.58089
   88    86 S   HC   _H6_    66     1.09463   110.97911    60.01513
   89    86 S   HC   _H7_    67     1.09462   110.19273   179.74056
  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  10   5   4   3
  14   8   2   1   1  11   5   4   9   5   4   7   3   7   4   3
   7   4   7   3   7   4   3   8   4   7   3   9   5   4   8   4
   8   5   4   9   5   4   5   4   3   9   5   4   2   1   1   9
   5   4   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    41    42    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    49    41    42    43    46    47    48    51  
   38    39    40    44    41    42    43    46  
   36    37  
   37  
    0  
   39    40    44    45    49    50    53    41    42    43    46  
   40    44    45    49    41  
   44    45    49    41  
   42    43    46    47    48    51    52    56    44  
   43    46    47    48    51  
   46    47    48    51  
   45    49    50    53    54    55    58  
   49    50    53  
   47    48    51    52    56    57    60  
   48    51    52    56  
   51    52    56  
   50    53    54    55    58    59    63  
   53    54    55    58  
   52    56    57    60    61    62    65  
   56    57    60  
   54    55    58    59    63    64    68  
   55    58    59    63  
   58    59    63  
   57    60    61    62    65    66    67    71  
   60    61    62    65  
   59    63    64    68    69    70    74  
   63    64    68  
   61    62    65    66    67    71    72    73    77  
   62    65    66    67    71  
   65    66    67    71  
   64    68    69    70    74    75    76    80  
   68    69    70    74  
   66    67    71    72    73    77    78    79  
   67    71    72    73    77  
   71    72    73    77  
   69    70    74    75    76    80    81    82    83  
   70    74    75    76    80  
   74    75    76    80  
   72    73    77    78    79  
   73    77    78    79  
   77    78    79  
   75    76    80    81    82    83    84    85    86  
   76    80    81    82    83  
   80    81    82    83  
   78    79  
   79  
    0  
   81    82    83    84    85    86    87    88    89  
   82    83    84    85    86  
   83    84    85    86  
   84    85    86    87    88    89  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   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   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    44   317.000  1.510
   44    45   340.000  1.080
   44    49   549.000  1.340
   49    50   340.000  1.080
   49    53   317.000  1.510
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   317.000  1.510
   58    59   340.000  1.080
   58    63   549.000  1.340
   63    64   340.000  1.080
   63    68   317.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   41    42   570.000  1.307
   41    43   340.000  1.090
   41    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   317.000  1.510
   51    52   340.000  1.080
   51    56   549.000  1.340
   56    57   340.000  1.080
   56    60   317.000  1.510
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    77   317.000  1.522
   77    78   656.000  1.250
   77    79   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    44    70.00000  112.02700
   33    41    42    50.00000  109.50000
   33    41    43    37.50000  110.70000
   33    41    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    44    45    35.00000  117.00000
   38    44    49    70.00000  124.00000
   40    38    39    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    40    35.00000  109.50000
   44    49    50    35.00000  120.00000
   44    49    53    70.00000  124.00000
   49    44    45    35.00000  120.00000
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    58    70.00000  110.12100
   53    49    50    35.00000  117.00000
   53    58    59    35.00000  117.00000
   53    58    63    70.00000  124.00000
   55    53    54    33.00000  107.80000
   58    53    54    35.00000  109.50000
   58    53    55    35.00000  109.50000
   58    63    64    35.00000  120.00000
   58    63    68    70.00000  124.00000
   63    58    59    35.00000  120.00000
   63    68    69    35.00000  109.50000
   63    68    70    35.00000  109.50000
   63    68    74    70.00000  112.02700
   68    63    64    35.00000  117.00000
   68    74    75    37.50000  110.70000
   68    74    76    37.50000  110.70000
   68    74    80    58.35000  112.70000
   70    68    69    33.00000  107.80000
   74    68    69    37.50000  110.70000
   74    68    70    37.50000  110.70000
   74    80    81    37.50000  110.70000
   74    80    82    37.50000  110.70000
   74    80    83    58.35000  112.70000
   76    74    75    33.00000  107.80000
   80    74    75    37.50000  110.70000
   80    74    76    37.50000  110.70000
   80    83    84    37.50000  110.70000
   80    83    85    37.50000  110.70000
   80    83    86    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    37.50000  110.70000
   83    80    82    37.50000  110.70000
   83    86    87    37.50000  110.70000
   83    86    88    37.50000  110.70000
   83    86    89    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    37.50000  110.70000
   86    83    85    37.50000  110.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    51    70.00000  112.02700
   43    41    42    45.00000  125.66300
   46    41    42    50.00000  109.50000
   46    41    43    37.50000  110.70000
   46    51    52    35.00000  117.00000
   46    51    56    70.00000  124.00000
   48    46    47    33.00000  107.80000
   51    46    47    35.00000  109.50000
   51    46    48    35.00000  109.50000
   51    56    57    35.00000  120.00000
   51    56    60    70.00000  124.00000
   56    51    52    35.00000  120.00000
   56    60    61    35.00000  109.50000
   56    60    62    35.00000  109.50000
   56    60    65    70.00000  112.02700
   60    56    57    35.00000  117.00000
   60    65    66    37.50000  110.70000
   60    65    67    37.50000  110.70000
   60    65    71    58.35000  112.70000
   62    60    61    33.00000  107.80000
   65    60    61    37.50000  110.70000
   65    60    62    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    77    70.00000  109.69300
   67    65    66    33.00000  107.80000
   71    65    66    37.50000  110.70000
   71    65    67    37.50000  110.70000
   71    77    78    70.00000  117.00000
   71    77    79    70.00000  117.00000
   73    71    72    33.00000  107.80000
   77    71    72    35.00000  109.50000
   77    71    73    35.00000  109.50000
   79    77    78    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   33    38    44    45   0.00000  1.0 1.0
   33    38    44    49   0.09850  1.0 1.0
   33    38    44    49   0.15250 -1.0 2.0
   33    38    44    49  -0.50650  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    48   0.15000  1.0 3.0
   33    41    46    51   0.34400  1.0 1.0
   33    41    46    51   0.09450 -1.0 2.0
   33    41    46    51   0.11100  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    44   0.15000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    43   0.15000  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    43   0.15000  1.0 3.0
   38    33    41    46   0.56750  1.0 1.0
   38    33    41    46  -0.07550 -1.0 2.0
   38    33    41    46   0.20000  1.0 3.0
   38    44    49    50   7.00000 -1.0 2.0
   38    44    49    53   7.00000 -1.0 2.0
   39    38    44    45   0.33100  1.0 3.0
   39    38    44    49   0.00000  1.0 1.0
   40    38    44    45   0.33100  1.0 3.0
   40    38    44    49   0.00000  1.0 1.0
   44    49    53    54   0.00000  1.0 1.0
   44    49    53    55   0.00000  1.0 1.0
   44    49    53    58  -0.28300  1.0 1.0
   44    49    53    58   0.26700 -1.0 2.0
   44    49    53    58  -0.63300  1.0 3.0
   45    44    49    50   7.00000 -1.0 2.0
   45    44    49    53   7.00000 -1.0 2.0
   49    53    58    59   0.00000  1.0 1.0
   49    53    58    63  -0.28300  1.0 1.0
   49    53    58    63   0.26700 -1.0 2.0
   49    53    58    63  -0.63300  1.0 3.0
   50    49    53    54   0.33100  1.0 3.0
   50    49    53    55   0.33100  1.0 3.0
   50    49    53    58   0.00000  1.0 1.0
   53    58    63    64   7.00000 -1.0 2.0
   53    58    63    68   7.00000 -1.0 2.0
   54    53    58    59   0.33100  1.0 3.0
   54    53    58    63   0.00000  1.0 1.0
   55    53    58    59   0.33100  1.0 3.0
   55    53    58    63   0.00000  1.0 1.0
   58    63    68    69   0.00000  1.0 1.0
   58    63    68    70   0.00000  1.0 1.0
   58    63    68    74   0.09850  1.0 1.0
   58    63    68    74   0.15250 -1.0 2.0
   58    63    68    74  -0.50650  1.0 3.0
   59    58    63    64   7.00000 -1.0 2.0
   59    58    63    68   7.00000 -1.0 2.0
   63    68    74    75   0.15000  1.0 3.0
   63    68    74    76   0.15000  1.0 3.0
   63    68    74    80   0.34400  1.0 1.0
   63    68    74    80   0.09450 -1.0 2.0
   63    68    74    80   0.11100  1.0 3.0
   64    63    68    69   0.33100  1.0 3.0
   64    63    68    70   0.33100  1.0 3.0
   64    63    68    74   0.00000  1.0 1.0
   68    74    80    81   0.15000  1.0 3.0
   68    74    80    82   0.15000  1.0 3.0
   68    74    80    83   0.56750  1.0 1.0
   68    74    80    83  -0.07550 -1.0 2.0
   68    74    80    83   0.20000  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    76   0.15000  1.0 3.0
   69    68    74    80   0.15000  1.0 3.0
   70    68    74    75   0.15000  1.0 3.0
   70    68    74    76   0.15000  1.0 3.0
   70    68    74    80   0.15000  1.0 3.0
   74    80    83    84   0.15000  1.0 3.0
   74    80    83    85   0.15000  1.0 3.0
   74    80    83    86   0.56750  1.0 1.0
   74    80    83    86  -0.07550 -1.0 2.0
   74    80    83    86   0.20000  1.0 3.0
   75    74    80    81   0.15000  1.0 3.0
   75    74    80    82   0.15000  1.0 3.0
   75    74    80    83   0.15000  1.0 3.0
   76    74    80    81   0.15000  1.0 3.0
   76    74    80    82   0.15000  1.0 3.0
   76    74    80    83   0.15000  1.0 3.0
   80    83    86    87   0.15000  1.0 3.0
   80    83    86    88   0.15000  1.0 3.0
   80    83    86    89   0.15000  1.0 3.0
   81    80    83    84   0.15000  1.0 3.0
   81    80    83    85   0.15000  1.0 3.0
   81    80    83    86   0.15000  1.0 3.0
   82    80    83    84   0.15000  1.0 3.0
   82    80    83    85   0.15000  1.0 3.0
   82    80    83    86   0.15000  1.0 3.0
   84    83    86    87   0.15000  1.0 3.0
   84    83    86    88   0.15000  1.0 3.0
   84    83    86    89   0.15000  1.0 3.0
   85    83    86    87   0.15000  1.0 3.0
   85    83    86    88   0.15000  1.0 3.0
   85    83    86    89   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    44   0.34400  1.0 1.0
   41    33    38    44   0.09450 -1.0 2.0
   41    33    38    44   0.11100  1.0 3.0
   41    46    51    52   0.00000  1.0 1.0
   41    46    51    56   0.09850  1.0 1.0
   41    46    51    56   0.15250 -1.0 2.0
   41    46    51    56  -0.50650  1.0 3.0
   42    41    46    47   0.23400  1.0 3.0
   42    41    46    48   0.23400  1.0 3.0
   42    41    46    51   0.61850  1.0 1.0
   42    41    46    51  -0.22750 -1.0 2.0
   42    41    46    51   0.15300  1.0 3.0
   43    41    46    47   0.15000  1.0 3.0
   43    41    46    48   0.15000  1.0 3.0
   43    41    46    51   0.15000  1.0 3.0
   46    51    56    57   7.00000 -1.0 2.0
   46    51    56    60   7.00000 -1.0 2.0
   47    46    51    52   0.33100  1.0 3.0
   47    46    51    56   0.00000  1.0 1.0
   48    46    51    52   0.33100  1.0 3.0
   48    46    51    56   0.00000  1.0 1.0
   51    56    60    61   0.00000  1.0 1.0
   51    56    60    62   0.00000  1.0 1.0
   51    56    60    65   0.09850  1.0 1.0
   51    56    60    65   0.15250 -1.0 2.0
   51    56    60    65  -0.50650  1.0 3.0
   52    51    56    57   7.00000 -1.0 2.0
   52    51    56    60   7.00000 -1.0 2.0
   56    60    65    66   0.15000  1.0 3.0
   56    60    65    67   0.15000  1.0 3.0
   56    60    65    71   0.34400  1.0 1.0
   56    60    65    71   0.09450 -1.0 2.0
   56    60    65    71   0.11100  1.0 3.0
   57    56    60    61   0.33100  1.0 3.0
   57    56    60    62   0.33100  1.0 3.0
   57    56    60    65   0.00000  1.0 1.0
   60    65    71    72   0.15000  1.0 3.0
   60    65    71    73   0.15000  1.0 3.0
   60    65    71    77  -1.63150  1.0 1.0
   60    65    71    77  -0.43550 -1.0 2.0
   60    65    71    77   0.24500  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   61    60    65    67   0.15000  1.0 3.0
   61    60    65    71   0.15000  1.0 3.0
   62    60    65    66   0.15000  1.0 3.0
   62    60    65    67   0.15000  1.0 3.0
   62    60    65    71   0.15000  1.0 3.0
   65    71    77    78   0.41150 -1.0 2.0
   65    71    77    79   0.41150 -1.0 2.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    73   0.15000  1.0 3.0
   66    65    71    77  -0.11250  1.0 3.0
   67    65    71    72   0.15000  1.0 3.0
   67    65    71    73   0.15000  1.0 3.0
   67    65    71    77  -0.11250  1.0 3.0
   72    71    77    78   0.00000  1.0 1.0
   72    71    77    79   0.00000  1.0 1.0
   73    71    77    78   0.00000  1.0 1.0
   73    71    77    79   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    45    44    49  15.00000 -1.0 2.0
   53    50    49    44  15.00000 -1.0 2.0
   53    59    58    63  15.00000 -1.0 2.0
   68    64    63    58  15.00000 -1.0 2.0
   46    52    51    56  15.00000 -1.0 2.0
   60    57    56    51  15.00000 -1.0 2.0
   78    71    77    79  10.50000 -1.0 2.0
END
