* LIGAND DATABASE FILE (OPLS2005)
*
001      93    92    155    220     442
    1     0 S   NP   _N1_     1    34.57245    95.72091   -32.24751
    2     1 S   H    _HN1     2     1.02803    65.36195  -126.66675
    3     1 S   H    _H1_     3     1.02835   169.19023   179.89721
    4     1 S   H    _H2_     4     1.02948    82.36606   -13.78478
    5     1 S   CT   _CA1     5     1.50196    64.94015   102.99761
    6     5 S   HC   _HA1     6     1.09553   105.24063   107.12148
    7     5 S   CO3  _C1_     7     1.53722   112.69032   -13.43293
    8     7 S   O2Z  _O11     8     1.26384   115.03498   -39.77334
    9     7 S   O2Z  _O12     9     1.26246   114.94029   139.42384
   10     5 S   CT   _CB1    10     1.52873   107.23471  -134.73224
   11    10 S   HC   HB11    11     1.09827   109.21050   -48.45177
   12    10 S   HC   HB12    12     1.09645   110.09599    68.22319
   13    10 S   CT   _CG1    13     1.52963   113.28221  -169.85697
   14    13 S   HC   HG11    14     1.09549   110.81771   -69.92037
   15    13 S   HC   HG12    15     1.09647   109.82071    49.60914
   16    13 S   C    _CD1    16     1.51766   111.41175   169.80709
   17    16 S   O    _OE1    17     1.22793   123.13888    12.51222
   18    16 S   N    _N2_    18     1.38558   112.20136  -167.13370
   19    18 S   H    _HN2    19     1.01559   119.10674     0.66558
   20    18 S   CT1  _CA2    20     1.46050   122.49512   172.18310
   21    20 S   HC   _HA2    21     1.09409   109.96488    17.29581
   22    20 S   C    _C2_    22     1.53172   104.90247   -97.87292
   23    22 S   O    _O2_    23     1.22927   122.88917  -107.23694
   24    20 S   CT   _CB2    32     1.53005   111.89252   141.33731
   25    24 S   HC   HB21    33     1.09678   109.83484    54.39070
   26    24 S   HC   HB22    34     1.09501   110.94604   171.29974
   27    22 S   N    _N3_    24     1.38607   112.64785    71.51163
   28    27 S   H    _HN3    25     1.01691   119.49530     2.37488
   29    24 S   S    _SG2    35     1.83302   114.36651   -64.72062
   30    27 S   CT   _CA3    26     1.45310   123.28479  -177.85863
   31    30 S   HC   HA31    27     1.09533   106.95753   -81.69289
   32    30 S   HC   HA32    28     1.09542   108.81259    34.97258
   33    29 S   CT   _C17    36     1.84658   101.33708   -65.28861
   34    33 S   HC   _H3_    37     1.09128   106.48887    59.28085
   35    30 S   CO3  _C3_    29     1.53030   114.21822   157.32630
   36    35 S   O2Z  _O31    30     1.26338   116.29151    -3.60733
   37    35 S   O2Z  _O32    31     1.26468   114.34308   176.60246
   38    33 S   CM   _C18    38     1.51517   110.01006   -59.46876
   39    38 S   HC   _H20    39     1.09103   115.55321   -51.39986
   40    33 S   CM   _C15    47     1.53020   108.34993   176.61407
   41    38 S   CMA  _C19    40     1.35510   126.83895   128.02578
   42    41 S   OM   _O33    41     1.26768   125.64313     1.04080
   43    40 S   CM   _C14    48     1.35117   124.39734   -98.18145
   44    43 S   HC   _H16    49     1.08971   118.01587  -177.46395
   45    40 S   CT   _C16    90     1.51393   117.39134    82.90431
   46    45 S   HC   _H17    91     1.09467   110.78658   -53.00908
   47    45 S   HC   _H18    92     1.09570   112.25436  -172.38573
   48    45 S   HC   _H19    93     1.09462   110.76475    67.86607
   49    41 S   OS   _O34    42     1.42215   109.37230  -179.57942
   50    43 S   CM   _C13    50     1.44873   127.39529     4.34461
   51    50 S   HC   _H15    51     1.08535   117.77534     8.52305
   52    49 S   CT   _C20    43     1.42649   115.24753   161.97552
   53    52 S   HC   _H21    44     1.09408   107.76119  -175.37628
   54    52 S   HC   _H22    45     1.09490   111.02750    66.71432
   55    52 S   HC   _H23    46     1.09524   111.07126   -57.32688
   56    50 S   CM   _C12    52     1.34389   122.74307  -173.74530
   57    56 S   HC   _H14    53     1.08884   119.52850     0.65730
   58    56 S   CM   _C10    54     1.46229   125.31194  -176.74508
   59    58 S   CM   _C9_    55     1.34855   121.58451   -40.43207
   60    59 S   HC   _H10    56     1.09032   118.53131     0.33455
   61    58 S   CT   _C11    86     1.50696   112.84217   140.21103
   62    61 S   HC   _H11    87     1.09572   110.35158    65.92816
   63    61 S   HC   _H12    88     1.09629   110.33257   -53.65510
   64    61 S   HC   _H13    89     1.09209   113.69490  -173.29419
   65    59 S   CM   _C8_    57     1.44914   127.13835   179.26352
   66    65 S   HC   _H9_    58     1.08490   118.25160     8.01969
   67    65 S   CM   _C7_    59     1.34328   122.35317  -169.84158
   68    67 S   HC   _H8_    60     1.08532   118.90215    -0.92936
   69    67 S   CM   _C6_    61     1.44887   122.80765   176.93082
   70    69 S   HC   _H7_    62     1.09058   114.10482     8.93316
   71    69 S   CM   _C5_    63     1.35051   127.36639  -170.12606
   72    71 S   CM   _C21    64     1.46692   118.20926   179.32189
   73    72 S   HC   _H24    65     1.09023   115.37453     1.32441
   74    71 S   CT   _C4_    82     1.50942   124.48098     0.37220
   75    74 S   HC   _H4_    83     1.09567   110.48275  -119.86718
   76    74 S   HC   _H5_    84     1.09591   110.43613   119.74920
   77    74 S   HC   _H6_    85     1.09176   113.88276     0.18131
   78    72 S   CM   _C22    66     1.34445   126.71641  -178.54882
   79    78 S   HC   _H25    67     1.08315   119.85032    -0.19683
   80    78 S   CM   _C23    68     1.45103   122.52663   179.76510
   81    80 S   HC   _H26    69     1.09079   114.09230     0.42197
   82    80 S   CM   _C24    70     1.35079   127.73346  -179.57572
   83    82 S   CM   _C26    71     1.46772   118.18455   179.97202
   84    83 S   HC   _H30    72     1.08942   115.24060     0.02798
   85    82 S   CT   _C25    78     1.50860   124.61516     0.00000
   86    85 S   HC   _H27    79     1.09581   110.48094  -119.75231
   87    85 S   HC   _H28    80     1.09176   113.88121     0.07662
   88    85 S   HC   _H29    81     1.09582   110.48335   119.87587
   89    83 S   CM   _C27    73     1.34213   126.63464  -179.98022
   90    89 S   HC   _H31    74     1.08792   120.82383    -0.04846
   91    89 S   CO3  _C28    75     1.53573   121.85250   179.98022
   92    91 S   O2Z  _O36    76     1.26253   117.01941    -0.54965
   93    91 S   O2Z  _O35    77     1.26623   113.87116   179.48224
  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   8   5   4   3
  14   6   2   1   1   8   4  10   6   2  10   4   4   2   1   1
   4   6   3   3   2   1   1   9   3   9  10   4   4   2   1   1
   6   3   6   3   9   3   9  10   4   4   2   1   1   6   3   9
   3   9  10   4   4   2   1   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    40    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    49    40    43    44    50    45    46    47    48  
   38    39    41    40    43    45  
   36    37  
   37  
    0  
   39    41    42    49    52    40    43    45  
   41    42    49    40  
   43    44    50    51    56    45    46    47    48    41  
   42    49    52    53    54    55  
   49    52  
   44    50    51    56    57    58    45    46    47    48  
   50    51    56    45  
   46    47    48    50  
   47    48  
   48  
    0  
   52    53    54    55  
   51    56    57    58    59    61  
   56    57    58  
   53    54    55  
   54    55  
   55  
    0  
   57    58    59    60    65    61    62    63    64  
   58    59    61  
   59    60    65    66    67    61    62    63    64  
   60    65    66    67    68    69    61    62    63    64  
   65    66    67    61  
   62    63    64    65  
   63    64  
   64  
    0  
   66    67    68    69    70    71  
   67    68    69  
   68    69    70    71    72    74  
   69    70    71  
   70    71    72    73    78    74    75    76    77  
   71    72    74  
   72    73    78    79    80    74    75    76    77  
   73    78    79    80    81    82    74    75    76    77  
   78    79    80    74  
   75    76    77    78  
   76    77  
   77  
    0  
   79    80    81    82    83    85  
   80    81    82  
   81    82    83    84    89    85    86    87    88  
   82    83    85  
   83    84    89    90    91    85    86    87    88  
   84    89    90    91    92    93    85    86    87    88  
   89    90    91    85  
   86    87    88    89  
   87    88  
   88  
    0  
   90    91    92    93  
   91    92    93  
   92    93  
   93  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.030000   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   83   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.425300   2.0020   1.7750   0.023028004  -0.852763146
   90   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   91   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   92   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   93   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   317.000  1.510
   38    39   340.000  1.080
   38    41   465.000  1.376
   41    42   745.000  1.250
   41    49   440.000  1.360
   49    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   40    43   549.000  1.340
   40    45   317.000  1.510
   43    44   340.000  1.080
   43    50   380.000  1.444
   50    51   340.000  1.080
   50    56   549.000  1.340
   56    57   340.000  1.080
   56    58   380.000  1.444
   58    59   549.000  1.340
   58    61   317.000  1.510
   59    60   340.000  1.080
   59    65   380.000  1.444
   65    66   340.000  1.080
   65    67   549.000  1.340
   67    68   340.000  1.080
   67    69   380.000  1.444
   69    70   340.000  1.080
   69    71   549.000  1.340
   71    72   380.000  1.444
   71    74   317.000  1.510
   72    73   340.000  1.080
   72    78   549.000  1.340
   78    79   340.000  1.080
   78    80   380.000  1.444
   80    81   340.000  1.080
   80    82   549.000  1.340
   82    83   380.000  1.444
   82    85   317.000  1.510
   83    84   340.000  1.080
   83    89   549.000  1.340
   89    90   340.000  1.080
   89    91   230.000  1.545
   91    92   656.000  1.250
   91    93   656.000  1.250
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    43    70.00000  124.00000
   33    40    45    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    41    42    65.00000  137.10300
   38    41    49    80.00000  120.01400
   41    38    39    40.00000  120.50800
   41    49    52    90.00000  111.18400
   49    41    42    65.00000  121.00000
   49    52    53    35.00000  109.50000
   49    52    54    35.00000  109.50000
   49    52    55    35.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    43    44    35.00000  120.00000
   40    43    50    70.00000  123.01800
   40    45    46    35.00000  109.50000
   40    45    47    35.00000  109.50000
   40    45    48    35.00000  109.50000
   43    50    51    35.00000  120.00000
   43    50    56    70.00000  123.01800
   50    43    44    35.00000  120.00000
   50    56    57    35.00000  120.00000
   50    56    58    70.00000  123.01800
   56    50    51    35.00000  120.00000
   56    58    59    70.00000  123.01800
   56    58    61    70.00000  124.00000
   58    56    57    35.00000  120.00000
   58    59    60    35.00000  120.00000
   58    59    65    70.00000  123.01800
   58    61    62    35.00000  109.50000
   58    61    63    35.00000  109.50000
   58    61    64    35.00000  109.50000
   59    65    66    35.00000  120.00000
   59    65    67    70.00000  123.01800
   65    59    60    35.00000  120.00000
   65    67    68    35.00000  120.00000
   65    67    69    70.00000  123.01800
   67    65    66    35.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    71    70.00000  123.01800
   69    67    68    35.00000  120.00000
   69    71    72    70.00000  123.01800
   69    71    74    70.00000  124.00000
   71    69    70    35.00000  120.00000
   71    72    73    35.00000  120.00000
   71    72    78    70.00000  123.01800
   71    74    75    35.00000  109.50000
   71    74    76    35.00000  109.50000
   71    74    77    35.00000  109.50000
   72    78    79    35.00000  120.00000
   72    78    80    70.00000  123.01800
   78    72    73    35.00000  120.00000
   78    80    81    35.00000  120.00000
   78    80    82    70.00000  123.01800
   80    78    79    35.00000  120.00000
   80    82    83    70.00000  123.01800
   80    82    85    70.00000  124.00000
   82    80    81    35.00000  120.00000
   82    83    84    35.00000  120.00000
   82    83    89    70.00000  123.01800
   82    85    86    35.00000  109.50000
   82    85    87    35.00000  109.50000
   82    85    88    35.00000  109.50000
   83    89    90    35.00000  120.00000
   83    89    91    55.00000  124.75400
   89    83    84    35.00000  120.00000
   89    91    92    85.00000  113.83300
   89    91    93    85.00000  113.83300
   91    89    90    40.00000  118.53000
   93    91    92    80.00000  126.00000
   85    82    83    70.00000  124.00000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   74    71    72    70.00000  124.00000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   61    58    59    70.00000  124.00000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   45    40    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  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   0.00000  1.0 1.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    40    43   0.42700  1.0 1.0
   29    33    40    43  -0.70350 -1.0 2.0
   29    33    40    43  -0.43150  1.0 3.0
   29    33    40    45   0.30250  1.0 1.0
   29    33    40    45  -0.14950 -1.0 2.0
   29    33    40    45   0.36900  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    49   7.00000 -1.0 2.0
   33    40    43    44   7.00000 -1.0 2.0
   33    40    43    50   7.00000 -1.0 2.0
   33    40    45    46   0.34800  1.0 3.0
   33    40    45    47   0.34800  1.0 3.0
   33    40    45    48   0.34800  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    40    43   0.00000  1.0 1.0
   34    33    40    45   0.34800  1.0 3.0
   38    33    40    43  -0.28300  1.0 1.0
   38    33    40    43   0.26700 -1.0 2.0
   38    33    40    43  -0.63300  1.0 3.0
   38    33    40    45   0.09700  1.0 1.0
   38    33    40    45   0.15600 -1.0 2.0
   38    33    40    45  -0.50800  1.0 3.0
   38    41    49    52  -2.26850  1.0 1.0
   38    41    49    52   3.39050 -1.0 2.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    49   7.00000 -1.0 2.0
   41    49    52    53   0.08050  1.0 3.0
   41    49    52    54   0.08050  1.0 3.0
   41    49    52    55   0.08050  1.0 3.0
   42    41    49    52   2.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    41  -0.28300  1.0 1.0
   40    33    38    41   0.26700 -1.0 2.0
   40    33    38    41  -0.63300  1.0 3.0
   40    43    50    51  -0.18600  1.0 3.0
   40    43    50    56   0.28850  1.0 1.0
   40    43    50    56   2.61350 -1.0 2.0
   40    43    50    56   0.78400  1.0 3.0
   43    40    45    46   0.00000  1.0 1.0
   43    40    45    47   0.00000  1.0 1.0
   43    40    45    48   0.00000  1.0 1.0
   43    50    56    57   7.00000 -1.0 2.0
   43    50    56    58   7.00000 -1.0 2.0
   44    43    50    51   0.00000  1.0 1.0
   44    43    50    56  -0.18600  1.0 3.0
   50    56    58    59   0.28850  1.0 1.0
   50    56    58    59   2.61350 -1.0 2.0
   50    56    58    59   0.78400  1.0 3.0
   50    56    58    61  -0.18600  1.0 3.0
   51    50    56    57   7.00000 -1.0 2.0
   51    50    56    58   7.00000 -1.0 2.0
   56    58    59    60   7.00000 -1.0 2.0
   56    58    59    65   7.00000 -1.0 2.0
   56    58    61    62   0.00000  1.0 1.0
   56    58    61    63   0.00000  1.0 1.0
   56    58    61    64   0.00000  1.0 1.0
   57    56    58    59  -0.18600  1.0 3.0
   57    56    58    61   0.00000  1.0 1.0
   58    59    65    66  -0.18600  1.0 3.0
   58    59    65    67   0.28850  1.0 1.0
   58    59    65    67   2.61350 -1.0 2.0
   58    59    65    67   0.78400  1.0 3.0
   59    58    61    62   0.00000  1.0 1.0
   59    58    61    63   0.00000  1.0 1.0
   59    58    61    64   0.00000  1.0 1.0
   59    65    67    68   7.00000 -1.0 2.0
   59    65    67    69   7.00000 -1.0 2.0
   60    59    65    66   0.00000  1.0 1.0
   60    59    65    67  -0.18600  1.0 3.0
   65    67    69    70  -0.18600  1.0 3.0
   65    67    69    71   0.28850  1.0 1.0
   65    67    69    71   2.61350 -1.0 2.0
   65    67    69    71   0.78400  1.0 3.0
   66    65    67    68   7.00000 -1.0 2.0
   66    65    67    69   7.00000 -1.0 2.0
   67    69    71    72   7.00000 -1.0 2.0
   67    69    71    74   7.00000 -1.0 2.0
   68    67    69    70   0.00000  1.0 1.0
   68    67    69    71  -0.18600  1.0 3.0
   69    71    72    73  -0.18600  1.0 3.0
   69    71    72    78   0.28850  1.0 1.0
   69    71    72    78   2.61350 -1.0 2.0
   69    71    72    78   0.78400  1.0 3.0
   69    71    74    75   0.00000  1.0 1.0
   69    71    74    76   0.00000  1.0 1.0
   69    71    74    77   0.00000  1.0 1.0
   70    69    71    72   7.00000 -1.0 2.0
   70    69    71    74   7.00000 -1.0 2.0
   71    72    78    79   7.00000 -1.0 2.0
   71    72    78    80   7.00000 -1.0 2.0
   72    71    74    75   0.00000  1.0 1.0
   72    71    74    76   0.00000  1.0 1.0
   72    71    74    77   0.00000  1.0 1.0
   72    78    80    81  -0.18600  1.0 3.0
   72    78    80    82   0.28850  1.0 1.0
   72    78    80    82   2.61350 -1.0 2.0
   72    78    80    82   0.78400  1.0 3.0
   73    72    78    79   7.00000 -1.0 2.0
   73    72    78    80   7.00000 -1.0 2.0
   78    80    82    83   7.00000 -1.0 2.0
   78    80    82    85   7.00000 -1.0 2.0
   79    78    80    81   0.00000  1.0 1.0
   79    78    80    82  -0.18600  1.0 3.0
   80    82    83    84  -0.18600  1.0 3.0
   80    82    83    89   0.28850  1.0 1.0
   80    82    83    89   2.61350 -1.0 2.0
   80    82    83    89   0.78400  1.0 3.0
   80    82    85    86   0.00000  1.0 1.0
   80    82    85    87   0.00000  1.0 1.0
   80    82    85    88   0.00000  1.0 1.0
   81    80    82    83   7.00000 -1.0 2.0
   81    80    82    85   7.00000 -1.0 2.0
   82    83    89    90   7.00000 -1.0 2.0
   82    83    89    91   7.00000 -1.0 2.0
   83    82    85    86   0.00000  1.0 1.0
   83    82    85    87   0.00000  1.0 1.0
   83    82    85    88   0.00000  1.0 1.0
   83    89    91    92  -0.04000 -1.0 2.0
   83    89    91    92  -0.29050  1.0 3.0
   83    89    91    93  -0.04000 -1.0 2.0
   83    89    91    93  -0.29050  1.0 3.0
   84    83    89    90   7.00000 -1.0 2.0
   84    83    89    91   7.00000 -1.0 2.0
   90    89    91    92   0.00000  1.0 1.0
   90    89    91    93   0.00000  1.0 1.0
   85    82    83    84   0.00000  1.0 1.0
   85    82    83    89  -0.18600  1.0 3.0
   74    71    72    73   0.00000  1.0 1.0
   74    71    72    78  -0.18600  1.0 3.0
   61    58    59    60   7.00000 -1.0 2.0
   61    58    59    65   7.00000 -1.0 2.0
   45    40    43    44   7.00000 -1.0 2.0
   45    40    43    50   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41  15.00000 -1.0 2.0
   42    49    41    38  15.00000 -1.0 2.0
   33    45    40    43  15.00000 -1.0 2.0
   50    44    43    40  15.00000 -1.0 2.0
   43    51    50    56  15.00000 -1.0 2.0
   58    57    56    50  15.00000 -1.0 2.0
   56    61    58    59  15.00000 -1.0 2.0
   65    60    59    58  15.00000 -1.0 2.0
   59    66    65    67  15.00000 -1.0 2.0
   69    68    67    65  15.00000 -1.0 2.0
   67    70    69    71  15.00000 -1.0 2.0
   72    74    71    69  15.00000 -1.0 2.0
   71    73    72    78  15.00000 -1.0 2.0
   80    79    78    72  15.00000 -1.0 2.0
   78    81    80    82  15.00000 -1.0 2.0
   83    85    82    80  15.00000 -1.0 2.0
   82    84    83    89  15.00000 -1.0 2.0
   91    90    89    83  15.00000 -1.0 2.0
   92    89    91    93  10.50000 -1.0 2.0
END
