* LIGAND DATABASE FILE (OPLS2005)
*
001      97   101    194    322     587
    1     0 S   NP   _N1_     1    32.28446   103.57911   -22.01343
    2     1 S   H    _HN1     2     1.03473   129.60855   -65.42076
    3     1 S   H    _H1_     3     1.02862    25.32093  -101.69948
    4     1 S   H    _H2_     4     1.02754   106.78621   163.24135
    5     1 S   CT   _CA1     5     1.50181    88.24750    51.77309
    6     5 S   HC   _HA1     6     1.09534   104.86416   166.03385
    7     5 S   CO3  _C1_     7     1.53666   113.27695    45.40766
    8     7 S   O2Z  _O11     8     1.26424   115.05219   -31.06352
    9     7 S   O2Z  _O12     9     1.26212   115.10806   148.28434
   10     5 S   CT   _CB1    10     1.52982   107.36774   -75.38817
   11    10 S   HC   HB11    11     1.09504   109.47982   -37.70230
   12    10 S   HC   HB12    12     1.09839   110.57149    77.91851
   13    10 S   CT   _CG1    13     1.53205   113.04977  -160.02074
   14    13 S   HC   HG11    14     1.09529   111.06736   -89.84008
   15    13 S   HC   HG12    15     1.09553   111.33406    29.54542
   16    13 S   C    _CD1    16     1.51556   109.05515   150.08108
   17    16 S   O    _OE1    17     1.22826   121.78862    85.60339
   18    16 S   N    _N2_    18     1.38596   112.59421   -90.71515
   19    18 S   H    _HN2    19     1.01623   119.06096    -6.79460
   20    18 S   CT1  _CA2    20     1.46260   123.55976   172.42879
   21    20 S   HC   _HA2    21     1.09710   109.14997    -9.33006
   22    20 S   C    _C2_    22     1.53834   109.10484  -125.18470
   23    22 S   O    _O2_    23     1.23085   121.98863  -158.81407
   24    20 S   CT   _CB2    32     1.53479   111.70774   112.98618
   25    24 S   HC   HB21    33     1.09269   109.13061    60.84795
   26    24 S   HC   HB22    34     1.09533   110.38674   178.26607
   27    22 S   N    _N3_    24     1.38291   114.10381    27.58952
   28    27 S   H    _HN3    25     1.01420   119.01446    -2.15595
   29    24 S   S    _SG2    35     1.82966   111.35274   -62.94125
   30    27 S   CT   _CA3    26     1.45304   123.58736   178.44267
   31    30 S   HC   HA31    27     1.09548   107.25090   -69.48011
   32    30 S   HC   HA32    28     1.09555   108.17874    46.88299
   33    29 S   CT   _C21    36     1.92025   102.70494   138.99214
   34    30 S   CO3  _C3_    29     1.53090   114.34883   168.98597
   35    34 S   O2Z  _O31    30     1.26437   116.38432    -4.75778
   36    34 S   O2Z  _O32    31     1.26407   114.42184   175.32337
   37    33 S   CM   _C26    37     1.52444   104.80467   -56.88333
   38    37 S   HC   _H29    38     1.08781   118.13580    96.38217
   39    33 S   CT   _C20    53     1.54241   109.37201    66.04680
   40    39 S   F    F1__    54     1.36227   110.71266   -58.89611
   41    39 S   HC   _H8_    55     1.09517   110.49669  -175.42817
   42    37 S   CMA  _C25    39     1.35244   122.31047   -82.93251
   43    42 S   OM   _O37    40     1.25849   131.15510   178.35610
   44    42 S   CM   _C24    41     1.46813   117.20894    -0.61134
   45    44 S   HC   _H28    42     1.08833   119.30804   160.78569
   46    44 S   CM   _C23    43     1.34792   121.93341   -20.07108
   47    46 S   HC   _H27    44     1.08391   118.82527  -177.60510
   48    33 S   CT   _C22    45     1.60108   110.99196  -174.52886
   49    48 S   CT   _C8_    46     1.58151   108.93648   -59.10475
   50    49 S   HC   _H4_    47     1.09818   106.95375    58.98042
   51    48 S   CT   _C27    94     1.56366   111.13258   179.02361
   52    51 S   HC   _H30    95     1.09226   113.08264    76.28266
   53    51 S   HC   _H31    96     1.09558   112.50824   -43.88549
   54    51 S   HC   _H32    97     1.09564   111.74735  -162.43152
   55    49 S   CT   _C9_    48     1.56992   111.30284   -56.85794
   56    55 S   HC   _H5_    49     1.09371   109.45542   -68.67389
   57    49 S   CT   _C7_    68     1.55930   116.85175   173.66519
   58    57 S   HC   _H3_    69     1.09525   109.02009   -60.58029
   59    55 S   CT   _C19    50     1.53861   113.14877    49.87679
   60    59 S   HC   _H25    51     1.09675   110.39776    76.89385
   61    59 S   HC   _H26    52     1.09759   109.61661  -168.42721
   62    55 S   CT   _C10    56     1.53628   107.80694   173.02447
   63    62 S   HC   _H6_    57     1.10085   105.39689   -56.72267
   64    57 S   OH   _O38    70     1.41965   111.65033    56.83996
   65    64 S   HO   _H33    71     0.97224   107.81327  -175.29710
   66    62 S   CT   _C11    58     1.52653   119.17620  -175.23992
   67    66 S   HC   _H14    59     1.09580   110.23684   -45.12805
   68    66 S   HC   _H15    60     1.09472   111.94576    75.40812
   69    66 S   CT   _C12    61     1.54230   103.84403  -163.15823
   70    69 S   HC   _H7_    62     1.09419   109.31611   135.23949
   71    69 S   CT   _C13    63     1.54153   107.21782    10.05915
   72    62 S   CT   _C5_    64     1.54996   113.77862    61.83042
   73    71 S   OS   _O33    76     1.42790   104.16680   -98.31487
   74    71 S   CO4  _C17    87     1.53828   113.26955   143.87973
   75    74 S   O    _O35    88     1.23262   121.42463   -22.85362
   76    72 S   CT   _C6_    65     1.54475   107.09858   -60.76889
   77    76 S   HC   _H12    66     1.09700   109.80987   -66.91721
   78    76 S   HC   _H13    67     1.09515   109.67328   175.95184
   79    72 S   CT   _C4_    72     1.55241   113.26834    61.42808
   80    79 S   HC   _H9_    73     1.09502   112.44057    67.06665
   81    79 S   HC   _H10    74     1.09108   113.42447   -53.24815
   82    79 S   HC   _H11    75     1.09613   110.54249  -173.42821
   83    73 S   CO   _C14    77     1.43007   107.14313   -21.34137
   84    74 S   CT   _C18    89     1.52100   117.35714   158.46866
   85    84 S   HC   _H22    90     1.09022   109.73178    62.37812
   86    84 S   HC   _H23    91     1.09254   109.65914   -59.14140
   87    69 S   OS   _O34    78     1.42507   110.60498  -105.72169
   88    83 S   CT   _C15    79     1.52372   108.85572   135.56285
   89    88 S   HC   _H16    80     1.09516   110.79179   -61.41385
   90    88 S   HC   _H17    81     1.09515   111.30310   179.82086
   91    88 S   HC   _H18    82     1.09503   111.31204    57.72194
   92    83 S   CT   _C16    83     1.52622   109.44939  -103.70455
   93    92 S   HC   _H19    84     1.09531   110.96635    62.98052
   94    92 S   HC   _H20    85     1.09500   111.26803   -56.37050
   95    92 S   HC   _H21    86     1.09526   111.21922  -178.35313
   96    84 S   OH   _O36    92     1.41472   110.29421  -178.38990
   97    96 S   HO   _H24    93     0.97224   107.27149   178.32789
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  22   2   1   1  13   5  13   6   5   6   3   6   3  10   3  14
  21   9   5   2   1   1  17   8  11   6   6   2   1  18   8   5
   1  12   6   5  13   6  19  13  15  10   4   6   2   1   3   2
   1   1   9   4   3   2   8   7   3   2   1   3   2   1   1   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    48    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    46    48    49    59    39    40    41    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    46    47    48    49    50    55    59    60    61    39    40    41    57    51    52    53    54  
   35    36  
   36  
    0  
   38    42    43    44    45    46    48    49    59    39    40    41    51  
   42    43    44    48    39  
   40    41    62    51    42    46    48    49    55    56    59    60    61  
   41    48    55    59    60    61  
   48    55    59    60    61  
   43    44    45    46    47    48  
   44    45    46  
   45    46    47    48    49    51  
   46    47    48  
   47    48    49    50    55    57    51    52    53    54  
   48    49    51  
   49    50    55    56    59    62    76    57    58    64    51    52    53    54  
   50    55    56    59    60    61    62    63    66    72    76    77    78    57    58    64    65    51    52    53    54  
   55    56    59    62    76    57    58    64    51  
   52    53    54    55    57  
   53    54  
   54  
    0  
   56    59    60    61    62    63    66    67    68    69    71    72    76    57    58    64    79  
   59    60    61    62    63    66    72    57  
   58    64    65    79    59    62    71    72    76    77    78  
   64    65    72    76    77    78  
   60    61    62    63    66    72  
   61    62  
   62  
   63    66    67    68    69    70    71    72    76    77    78    79    80    81    82    73    87    74  
   66    67    68    69    71    72    76    79  
   65    72    76    77    78  
   76  
   67    68    69    70    71    72    76    79    73    83    87    74  
   68    69    70    71    72    87  
   69    70    71    72    87  
   70    71    72    76    79    73    83    87    88    92    74    75    84  
   71    72    73    83    87    74  
   72    76    77    78    79    80    81    82    73    83    87    88    92    74    75    84    85    86    96  
   76    77    78    79    80    81    82    73    83    87    74    75    84  
   83    87    88    89    90    91    92    93    94    95    74    75    84    76    79  
   75    84    85    86    96    97    76    79    83    87  
   84    85    86    96  
   77    78    79    80    81    82  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    0  
   87    88    89    90    91    92    93    94    95  
   85    86    96    97  
   86    96    97  
   96    97  
   88    89    90    91    92    93    94    95  
   89    90    91    92    93    94    95  
   90    91    92  
   91    92  
   92  
   93    94    95  
   94    95  
   95  
    0  
   97  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   41   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   84   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   97   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    48   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   465.000  1.376
   44    45   340.000  1.080
   44    46   549.000  1.340
   46    47   340.000  1.080
   46    48   317.000  1.510
   48    49   268.000  1.529
   48    51   268.000  1.529
   49    50   340.000  1.090
   49    55   268.000  1.529
   49    57   268.000  1.529
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    62   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    39   268.000  1.529
   39    40   367.000  1.332
   39    41   340.000  1.090
   62    63   340.000  1.090
   62    66   268.000  1.529
   62    72   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    87   320.000  1.410
   71    72   268.000  1.529
   71    73   320.000  1.410
   71    74   317.000  1.522
   72    76   268.000  1.529
   72    79   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    57   268.000  1.529
   57    58   340.000  1.090
   57    64   320.000  1.410
   64    65   553.000  0.945
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   73    83   320.000  1.380
   83    87   320.000  1.380
   83    88   250.000  1.527
   83    92   250.000  1.527
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   74    75   570.000  1.229
   74    84   317.000  1.522
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    96   320.000  1.410
   96    97   553.000  0.945
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    48    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    48    46    70.00000  112.02700
   33    48    49    58.35000  112.70000
   33    48    51    58.35000  112.70000
   33    39    59    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    70.00000  123.01800
   42    37    38    40.00000  120.50800
   42    44    45    40.00000  120.50800
   42    44    46    70.00000  117.34000
   44    42    43    65.00000  137.10300
   44    46    47    35.00000  120.00000
   44    46    48    70.00000  124.00000
   46    44    45    35.00000  120.00000
   46    48    49    70.00000  112.02700
   46    48    51    70.00000  112.02700
   48    33    37    70.00000  112.02700
   48    46    47    35.00000  117.00000
   48    49    50    37.50000  110.70000
   48    49    55    58.35000  112.70000
   48    49    57    58.35000  112.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    37.50000  110.70000
   49    55    56    37.50000  110.70000
   49    55    59    58.35000  112.70000
   49    55    62    58.35000  112.70000
   49    57    76    58.35000  112.70000
   49    57    58    37.50000  110.70000
   49    57    64    50.00000  109.50000
   55    49    50    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    39    58.35000  112.70000
   55    62    63    37.50000  110.70000
   55    62    66    58.35000  112.70000
   55    62    72    58.35000  112.70000
   59    55    56    37.50000  110.70000
   59    39    40    50.00000  109.50000
   59    39    41    37.50000  110.70000
   61    59    60    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    48    58.35000  112.70000
   39    59    60    37.50000  110.70000
   39    59    61    37.50000  110.70000
   41    39    40    40.00000  107.00000
   62    55    56    37.50000  110.70000
   62    55    59    58.35000  112.70000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    69    58.35000  112.70000
   62    72    71    58.35000  112.70000
   62    72    76    58.35000  112.70000
   62    72    79    58.35000  112.70000
   66    62    63    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    58.35000  112.70000
   66    69    87    50.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    71    72    58.35000  112.70000
   69    71    73    50.00000  109.50000
   69    71    74    63.00000  111.10000
   69    87    83    60.00000  109.50000
   71    69    70    37.50000  110.70000
   71    72    76    58.35000  112.70000
   71    72    79    58.35000  112.70000
   71    73    83    60.00000  109.50000
   71    74    75    80.00000  120.40000
   71    74    84    70.00000  116.00000
   72    62    63    37.50000  110.70000
   72    62    66    58.35000  112.70000
   72    76    77    37.50000  110.70000
   72    76    78    37.50000  110.70000
   72    76    57    58.35000  112.70000
   72    79    80    37.50000  110.70000
   72    79    81    37.50000  110.70000
   72    79    82    37.50000  110.70000
   76    57    58    37.50000  110.70000
   76    57    64    50.00000  109.50000
   78    76    77    33.00000  107.80000
   57    49    50    37.50000  110.70000
   57    49    55    58.35000  112.70000
   57    76    77    37.50000  110.70000
   57    76    78    37.50000  110.70000
   57    64    65    55.00000  108.50000
   64    57    58    35.00000  109.50000
   79    72    76    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   73    71    72    50.00000  109.50000
   73    83    87    92.60000  111.55000
   73    83    88    90.00000  108.56700
   73    83    92    90.00000  108.56700
   83    88    89    45.00000  108.72000
   83    88    90    45.00000  108.72000
   83    88    91    45.00000  108.72000
   83    92    93    45.00000  108.72000
   83    92    94    45.00000  108.72000
   83    92    95    45.00000  108.72000
   87    69    70    35.00000  109.50000
   87    69    71    50.00000  109.50000
   88    83    87    90.00000  108.56700
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   92    83    87    90.00000  108.56700
   92    83    88    65.00000  112.71400
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   74    71    72    63.00000  111.10000
   74    71    73    90.00000  108.74100
   74    84    85    35.00000  109.50000
   74    84    86    35.00000  109.50000
   74    84    96    90.00000  109.61100
   84    74    75    80.00000  120.40000
   84    96    97    55.00000  108.50000
   86    84    85    33.00000  107.80000
   96    84    85    35.00000  109.50000
   96    84    86    35.00000  109.50000
   51    48    49    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    48    46   0.56750  1.0 1.0
   29    33    48    46  -0.07550 -1.0 2.0
   29    33    48    46   0.20000  1.0 3.0
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   88    83    87    69  -0.01100 -1.0 2.0
   88    83    87    69   0.28050  1.0 3.0
   88    83    92    93   0.15000  1.0 3.0
   88    83    92    94   0.15000  1.0 3.0
   88    83    92    95   0.15000  1.0 3.0
   92    83    87    69   0.06250  1.0 1.0
   92    83    87    69  -0.01100 -1.0 2.0
   92    83    87    69   0.28050  1.0 3.0
   92    83    88    89   0.15000  1.0 3.0
   92    83    88    90   0.15000  1.0 3.0
   92    83    88    91   0.15000  1.0 3.0
   74    71    72    62  -0.95700  1.0 1.0
   74    71    72    62  -0.18200 -1.0 2.0
   74    71    72    62   0.29450  1.0 3.0
   74    71    72    76  -0.95700  1.0 1.0
   74    71    72    76  -0.18200 -1.0 2.0
   74    71    72    76   0.29450  1.0 3.0
   74    71    72    79  -0.95700  1.0 1.0
   74    71    72    79  -0.18200 -1.0 2.0
   74    71    72    79   0.29450  1.0 3.0
   74    71    73    83  -1.11000  1.0 1.0
   74    71    73    83   0.50250 -1.0 2.0
   74    71    73    83   0.47450  1.0 3.0
   74    84    96    97   0.91850  1.0 1.0
   74    84    96    97   0.57950  1.0 3.0
   75    74    84    85   0.00000  1.0 1.0
   75    74    84    86   0.00000  1.0 1.0
   75    74    84    96   0.30150 -1.0 2.0
   85    84    96    97   0.19450  1.0 3.0
   86    84    96    97   0.19450  1.0 3.0
   51    48    49    50   0.15000  1.0 3.0
   51    48    49    55   0.56750  1.0 1.0
   51    48    49    55  -0.07550 -1.0 2.0
   51    48    49    55   0.20000  1.0 3.0
   51    48    49    57   0.56750  1.0 1.0
   51    48    49    57  -0.07550 -1.0 2.0
   51    48    49    57   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   42    45    44    46   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   71    84    74    75  10.50000 -1.0 2.0
END
