* LIGAND DATABASE FILE (OPLS2005)
*
001      99   103    193    321     581
    1     0 S   NP   _N1_     1    28.74080    93.63227   -21.82246
    2     1 S   H    _HN1     2     1.02780    93.56478   -71.88592
    3     1 S   H    _H1_     3     1.02961    94.88402    36.85654
    4     1 S   H    _H2_     4     1.02839    23.64002   159.44822
    5     1 S   CT   _CA1     5     1.50103   134.37698   161.85924
    6     5 S   HC   _HA1     6     1.09573   105.27101    58.14280
    7     5 S   CO3  _C1_     7     1.53824   112.34441   -62.15149
    8     7 S   O2Z  _O11     8     1.26361   115.01846   -45.12928
    9     7 S   O2Z  _O12     9     1.26240   114.91787   134.10713
   10     5 S   CT   _CB1    10     1.53095   107.44650   176.09084
   11    10 S   HC   HB11    11     1.09820   109.45143   -50.60712
   12    10 S   HC   HB12    12     1.09825   110.37128    65.97688
   13    10 S   CT   _CG1    13     1.52992   112.61176  -171.72163
   14    13 S   HC   HG11    14     1.09596   110.34483   -61.02599
   15    13 S   HC   HG12    15     1.09634   110.11472    58.17114
   16    13 S   C    _CD1    16     1.51789   112.26324   178.55287
   17    16 S   O    _OE1    17     1.22713   123.25874    -7.75712
   18    16 S   N    _N2_    18     1.38591   111.58267   172.45587
   19    18 S   H    _HN2    19     1.01587   118.97024     1.88149
   20    18 S   CT1  _CA2    20     1.46160   123.47770  -177.18374
   21    20 S   HC   _HA2    21     1.09733   109.36901   -14.83349
   22    20 S   C    _C2_    22     1.53429   108.07547  -130.53460
   23    22 S   O    _O2_    23     1.23007   122.32025  -144.47400
   24    20 S   CT   _CB2    32     1.53702   111.55560   107.33722
   25    24 S   HC   HB21    33     1.09186   109.63692    56.32607
   26    24 S   HC   HB22    34     1.09370   109.34746   174.26209
   27    22 S   N    _N3_    24     1.38529   113.29167    42.72316
   28    27 S   H    _HN3    25     1.01534   118.90583    -0.50085
   29    24 S   S    _SG2    35     1.83217   111.51755   -66.21921
   30    27 S   CT   _CA3    26     1.45451   123.45095   175.24766
   31    30 S   HC   HA31    27     1.09523   109.25203    24.11758
   32    30 S   HC   HA32    28     1.09496   107.11761   141.11646
   33    29 S   CT   _C17    36     1.92057   102.85603   160.33910
   34    30 S   CO3  _C3_    29     1.52922   113.10633   -99.37528
   35    34 S   O2Z  _O31    30     1.26402   115.39547   -44.79593
   36    34 S   O2Z  _O32    31     1.26354   114.98911   136.14449
   37    33 S   CT   _C8_    37     1.60122   103.33177   165.55280
   38    37 S   HC   _H5_    38     1.09713   109.06588   -38.67567
   39    33 S   CT   _C18    71     1.59191   107.41634    50.25032
   40    39 S   HC   _H6_    72     1.09276   110.19064   -81.83447
   41    37 S   CT   _C9_    39     1.54095   111.05059    77.85447
   42    41 S   HC   _H12    40     1.09627   109.94502   -58.27712
   43    41 S   HC   _H13    41     1.09678   110.55887  -173.23262
   44    37 S   CT   _C7_    59     1.55336   112.67691  -157.22774
   45    44 S   HC   _H4_    60     1.09525   108.00170   -62.44009
   46    39 S   OH   _O38    73     1.43518   111.53193    33.34382
   47    46 S   HO   _H29    74     0.97249   107.85692  -171.24658
   48    41 S   CT   _C10    42     1.52595   113.09028    63.87731
   49    48 S   HC   _H14    43     1.09680   109.11382  -148.54844
   50    48 S   HC   _H15    44     1.09781   108.53202    96.07507
   51    44 S   CT   _C6_    61     1.52237   117.40880   179.15489
   52    51 S   HC   _H10    62     1.09659   110.99278   -44.24284
   53    51 S   HC   _H11    63     1.09515   111.49229    75.15046
   54    48 S   CM   _C11    45     1.51121   113.08547   -26.22175
   55    51 S   CT   _C5_    64     1.55022   104.81825  -162.94242
   56    55 S   HC   _H3_    65     1.09751   106.03301   125.45330
   57    54 S   CM   _C12    46     1.34371   119.03659   147.30280
   58    57 S   HC   _H16    47     1.08490   121.87290     0.07913
   59    55 S   CT   _C21    66     1.58243   106.78405     8.32296
   60    55 S   CT   _C4_    96     1.52517   110.30653  -119.84198
   61    60 S   HC   _H7_    97     1.09433   111.95984    64.49611
   62    60 S   HC   _H8_    98     1.09609   110.30189   -54.90749
   63    60 S   HC   _H9_    99     1.09279   111.12597  -173.00849
   64    57 S   CO4  _C13    48     1.47448   121.63940   178.27512
   65    64 S   O    _O33    49     1.22568   121.08450  -175.37539
   66    44 S   CT   _C20    67     1.53938   114.96118    56.68002
   67    59 S   CO4  _C22    79     1.55464   112.78390   139.65271
   68    67 S   O    _O34    80     1.23311   121.31336    -2.09144
   69    59 S   OS   _O35    85     1.45071   112.08488   -94.80182
   70    64 S   CM   _C14    50     1.47289   117.66810     3.66442
   71    70 S   HC   _H17    51     1.08358   117.85018   178.84428
   72    66 S   CT   _C19    68     1.54822   104.79543   -61.84785
   73    72 S   HC   _H19    69     1.09570   110.63885   -62.23317
   74    72 S   HC   _H20    70     1.09545   109.14846  -179.18339
   75    66 S   CT   _C29    75     1.55556   112.57470    60.49054
   76    75 S   HC   _H26    76     1.09476   112.61010    73.35305
   77    75 S   HC   _H27    77     1.09131   113.51753   -46.28847
   78    75 S   HC   _H28    78     1.09500   110.86500  -166.95889
   79    67 S   CT   _C23    81     1.51691   117.54274  -179.92598
   80    79 S   Cl   Cl1_    82     1.77252   109.79529  -146.29082
   81    79 S   HC   _H21    83     1.09187   109.81027    94.16860
   82    79 S   HC   _H22    84     1.09077   111.42499   -27.65105
   83    69 S   CO4  _C24    86     1.36671   121.72769   -83.37269
   84    83 S   O    _O36    87     1.22370   125.62600     6.92118
   85    70 S   CM   _C15    52     1.33728   120.48434    -3.41002
   86    85 S   HC   _H18    53     1.08727   116.79780  -176.23371
   87    83 S   C5A  _C25    88     1.43689   110.14425  -171.09898
   88    33 S   CT   _C16    54     1.65046   110.35651   -76.32736
   89    87 S   C5BC _C26    89     1.38195   130.41741  -174.79726
   90    89 S   HA   _H23    90     1.08120   126.03871     1.90032
   91    88 S   CT   _C30    55     1.56019   115.30022   -10.58247
   92    91 S   HC   _H30    56     1.09515   112.90597   -52.99724
   93    91 S   HC   _H31    57     1.09966   111.25562  -172.18498
   94    91 S   HC   _H32    58     1.09381   112.57977    69.85406
   95    89 S   C5BC _C27    91     1.41389   106.69211  -177.48869
   96    95 S   HA   _H24    92     1.08044   127.67766   179.71333
   97    95 S   C5A  _C28    93     1.37361   106.02101     0.31216
   98    97 S   HA   _H25    94     1.08006   133.59442   179.32944
   99    87 S   OA   _O37    95     1.36680   119.94440     7.78263
  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  13   5   4   3
  27   2   1   1  24  10  15   7  12   6   5  20   8   6   1   9
   4   3  14   6   5  12  14   8   8   4  22   6   2   1   1   6
   3  12   9   5   8   5   3   7   2   1   3   2   1   1   3   2
   1   1   7   3   6   2   7   4   6   4   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    88    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    54    85    88    91    44    72    39    40    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    43    48    54    57    70    85    86    88    91    92    93    94    44    45    51    66    72    73    74    39    40    46    47  
   35    36  
   36  
    0  
   38    41    42    43    48    49    50    54    85    88    91    44    45    51    52    53    55    59    66    72    39    40    46    75  
   41    42    43    48    88    44    45    51    66    39  
   40    46    47    75    41    44    54    59    66    72    73    74    85    88    91  
   46    47    66    72    73    74    88  
   42    43    48    49    50    54    57    88    44    45    51    66  
   43    48    49    50    54    44  
   48    49    50    54    44  
   45    51    52    53    55    56    59    66    72    73    74    75    76    77    78    67    69    60    48    88  
   51    52    53    55    59    66    72    75  
   47    66    72    73    74    88  
   72  
   49    50    54    57    58    64    85    88    91  
   50    54    57    88  
   54    57    88  
   52    53    55    56    59    66    72    75    67    69    60    61    62    63  
   53    55    56    59    66    60  
   55    56    59    66    60  
   57    58    64    65    70    85    86    88    91    92    93    94  
   56    59    66    72    75    67    68    79    69    83    60    61    62    63  
   59    66    67    69    60    61    62    63  
   58    64    65    70    71    85    88    91  
   64    65    70    88  
   66    72    73    74    75    76    77    78    67    68    79    80    81    82    69    83    84    87    60    61    62    63  
   61    62    63    66    67    69  
   62    63  
   63  
    0  
   65    70    71    85    86    88  
   70    71    85  
   72    73    74    75    76    77    78    67    68    79    69    83  
   68    79    80    81    82    69    83    72    75  
   79    80    81    82    69  
   83    84    87    89    99    72    75    79  
   71    85    86    88    91  
   85    86    88  
   73    74    75    76    77    78    88  
   74    75  
   75  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82  
   81    82  
   82  
    0  
   84    87    89    90    95    97    99  
   87    89    99  
   86    88    91    92    93    94  
   88    91  
   89    90    95    96    97    98    99  
   91    92    93    94  
   90    95    96    97    98    99  
   95    96    97    99  
   92    93    94  
   93    94  
   94  
    0  
   96    97    98    99  
   97    98    99  
   98    99  
   99  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.298000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.006000   1.9750   1.7500   0.005000000  -0.741685710
   80   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   81   2.4200   0.0150   0.103000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.103000   1.3810   1.2100   0.008598240   0.268726247
   83   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   85   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5500   0.0700   0.008000   2.0020   1.7750   0.001000000  -0.843144165
   88   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   89   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   90   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   91   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   96   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   97   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   98   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   99   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    88   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    41   268.000  1.529
   37    44   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   317.000  1.510
   54    57   549.000  1.340
   54    88   317.000  1.510
   57    58   340.000  1.080
   57    64   320.000  1.462
   64    65   570.000  1.229
   64    70   320.000  1.462
   70    71   340.000  1.080
   70    85   549.000  1.340
   85    86   340.000  1.080
   85    88   317.000  1.510
   88    91   268.000  1.529
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   44    45   340.000  1.090
   44    51   268.000  1.529
   44    66   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   268.000  1.529
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    60   268.000  1.529
   59    66   268.000  1.529
   59    67   317.000  1.522
   59    69   320.000  1.410
   66    72   268.000  1.529
   66    75   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    39   268.000  1.529
   39    40   340.000  1.090
   39    46   320.000  1.410
   46    47   553.000  0.945
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   67    68   570.000  1.229
   67    79   317.000  1.522
   79    80   245.000  1.781
   79    81   340.000  1.090
   79    82   340.000  1.090
   69    83   214.000  1.327
   83    84   570.000  1.229
   83    87   335.000  1.450
   87    89   546.000  1.367
   87    99   340.000  1.360
   89    90   367.000  1.080
   89    95   469.000  1.424
   95    96   367.000  1.080
   95    97   546.000  1.367
   97    98   367.000  1.080
   97    99   340.000  1.360
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   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  111.63000
   29    33    88    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    41    58.35000  112.70000
   33    37    44    58.35000  112.70000
   33    88    54    70.00000  112.02700
   33    88    85    70.00000  112.02700
   33    88    91    58.35000  112.70000
   33    39    72    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    46    50.00000  109.50000
   37    41    42    37.50000  110.70000
   37    41    43    37.50000  110.70000
   37    41    48    58.35000  112.70000
   37    44    45    37.50000  110.70000
   37    44    51    58.35000  112.70000
   37    44    66    58.35000  112.70000
   41    37    38    37.50000  110.70000
   41    48    49    37.50000  110.70000
   41    48    50    37.50000  110.70000
   41    48    54    70.00000  112.02700
   43    41    42    33.00000  107.80000
   48    41    42    37.50000  110.70000
   48    41    43    37.50000  110.70000
   48    54    57    70.00000  124.00000
   48    54    88    65.00000  117.92700
   50    48    49    33.00000  107.80000
   54    48    49    35.00000  109.50000
   54    48    50    35.00000  109.50000
   54    57    58    35.00000  120.00000
   54    57    64    65.00000  118.96000
   54    88    85    70.00000  110.12100
   54    88    91    70.00000  112.02700
   57    64    65    80.00000  123.72100
   57    64    70    65.00000  118.65900
   64    57    58    40.00000  117.72500
   64    70    71    40.00000  117.72500
   64    70    85    65.00000  118.96000
   70    64    65    80.00000  123.72100
   70    85    86    35.00000  120.00000
   70    85    88    70.00000  124.00000
   85    70    71    35.00000  120.00000
   85    88    91    70.00000  112.02700
   88    33    37    58.35000  112.70000
   88    54    57    70.00000  124.00000
   88    85    86    35.00000  117.00000
   88    91    92    37.50000  110.70000
   88    91    93    37.50000  110.70000
   88    91    94    37.50000  110.70000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    41    58.35000  112.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    55    58.35000  112.70000
   44    66    59    58.35000  112.70000
   44    66    72    58.35000  112.70000
   44    66    75    58.35000  112.70000
   51    44    45    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    59    58.35000  112.70000
   51    55    60    58.35000  112.70000
   53    51    52    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    37.50000  110.70000
   55    59    66    58.35000  112.70000
   55    59    67    63.00000  111.10000
   55    59    69    50.00000  109.50000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    63    37.50000  110.70000
   59    55    56    37.50000  110.70000
   59    66    72    58.35000  112.70000
   59    66    75    58.35000  112.70000
   59    67    68    80.00000  120.40000
   59    67    79    70.00000  116.00000
   59    69    83    83.00000  116.90000
   66    44    45    37.50000  110.70000
   66    44    51    58.35000  112.70000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    39    58.35000  112.70000
   66    75    76    37.50000  110.70000
   66    75    77    37.50000  110.70000
   66    75    78    37.50000  110.70000
   72    39    40    37.50000  110.70000
   72    39    46    50.00000  109.50000
   74    72    73    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    88    58.35000  112.70000
   39    72    73    37.50000  110.70000
   39    72    74    37.50000  110.70000
   39    46    47    55.00000  108.50000
   46    39    40    35.00000  109.50000
   75    66    72    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   67    59    66    63.00000  111.10000
   67    79    80    70.00000  110.66000
   67    79    81    35.00000  109.50000
   67    79    82    35.00000  109.50000
   79    67    68    80.00000  120.40000
   81    79    80    51.00000  107.60000
   82    79    80    51.00000  107.60000
   82    79    81    33.00000  107.80000
   69    59    66    50.00000  109.50000
   69    59    67    90.00000  108.74100
   69    83    84    83.00000  123.40000
   69    83    87    81.00000  111.40000
   83    87    89    55.00000  130.80000
   83    87    99    80.00000  119.06000
   87    83    84    80.00000  122.40000
   87    89    90    35.00000  125.70000
   87    89    95    70.00000  107.30000
   87    99    97    70.00000  106.50000
   89    95    96    35.00000  127.50000
   89    95    97    70.00000  107.30000
   95    89    90    35.00000  127.50000
   95    97    98    35.00000  132.10000
   95    97    99    70.00000  110.60000
   97    95    96    35.00000  125.70000
   99    87    89    70.00000  110.60000
   99    97    98    35.00000  113.40000
   60    55    56    37.50000  110.70000
   60    55    59    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    88   0.01700  1.0 1.0
   24    29    33    88  -0.23550 -1.0 2.0
   24    29    33    88   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
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   96    95    97    98   3.62500 -1.0 2.0
   96    95    97    99   3.62500 -1.0 2.0
   98    97    99    87   3.62500 -1.0 2.0
   99    87    89    90   3.62500 -1.0 2.0
   99    87   -89    95   3.62500 -1.0 2.0
   60    55    59    66   0.56750  1.0 1.0
   60    55    59    66  -0.07550 -1.0 2.0
   60    55    59    66   0.20000  1.0 3.0
   60    55    59    67  -0.95700  1.0 1.0
   60    55    59    67  -0.18200 -1.0 2.0
   60    55    59    67   0.29450  1.0 3.0
   60    55    59    69   0.62750  1.0 1.0
   60    55    59    69  -0.30950 -1.0 2.0
   60    55    59    69   0.27300  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
   48    88    54    57   1.10000 -1.0 2.0
   64    58    57    54   1.10000 -1.0 2.0
   57    70    64    65  10.50000 -1.0 2.0
   64    71    70    85   1.10000 -1.0 2.0
   88    86    85    70   1.10000 -1.0 2.0
   59    79    67    68  10.50000 -1.0 2.0
   69    87    83    84  10.50000 -1.0 2.0
   89    99    87    83   4.00000 -1.0 2.0
   95    90    89    87   1.10000 -1.0 2.0
   97    96    95    89   1.10000 -1.0 2.0
   99    98    97    95   1.10000 -1.0 2.0
END
