* LIGAND DATABASE FILE (OPLS2005)
*
001      89    91    170    254     494
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02047   102.40841   -42.32978
    3     1 S   H    _H1_     3     1.02101    73.50991    63.74359
    4     1 S   H    _H2_     4     1.02105    40.46833  -146.65946
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08575   109.90351   179.04879
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C13    36     1.82324    98.11850  -158.12788
   34    33 S   HC   _H3_    37     1.09758   101.52752   -46.80374
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C4_    38     1.52792   112.36296  -159.99319
   39    33 S   CT   _C12    50     1.55574   113.49146    63.02052
   40    39 S   HC   _H37    51     1.10029   105.34414  -110.65763
   41    39 S   HC   _H38    52     1.09894   112.90195     1.80894
   42    38 S   CMA  _C5_    39     1.36850   128.54365   -79.56063
   43    42 S   OM   _O21    40     1.26967   128.00135  -167.84320
   44    38 S   CT   _C8_    70     1.53412   113.32823   101.07062
   45    44 S   HC   _H29    71     1.09568   113.61156    -2.32212
   46    44 S   HC   _H30    72     1.09639   110.39537   117.01575
   47    42 S   CT   _C14    41     1.54390   123.19502    18.52051
   48    47 S   HC   _H40    42     1.10258   110.53238  -169.30178
   49    47 S   CT   _C9_    43     1.53413   121.19174   -46.75522
   50    49 S   HC   _H31    44     1.10069   106.93863  -162.98877
   51    49 S   HC   _H32    45     1.09330   111.49817    85.90206
   52    47 S   OS   _O25    57     1.46406   106.01404    74.18973
   53    49 S   CT   _C11    46     1.52726   116.34698   -42.94909
   54    53 S   HC   _H35    47     1.09897   107.30164  -173.91369
   55    53 S   HC   _H36    48     1.09744   108.49461   -59.01663
   56    52 S   CO4  _C6_    58     1.36255   118.80228    82.02449
   57    56 S   O    _O22    59     1.22205   127.12495    17.73776
   58    53 S   NT   _N20    49     1.46970   115.32294    63.37167
   59    56 S   C3T  _C17    60     1.48498   110.91839  -157.30298
   60    58 S   CT   _C22    53     1.46321   109.78963   171.06774
   61    60 S   HC   _H52    54     1.09300   110.12108  -180.00000
   62    60 S   HC   _H53    55     1.09423   110.23602    59.94984
   63    60 S   HC   _H54    56     1.09341   110.21888   -59.98793
   64    59 S   CT   _C10    61     1.51945   119.68206    70.02129
   65    64 S   HC   _H33    62     1.09425   106.88574   -62.90979
   66    64 S   HC   _H34    63     1.09754   109.98051  -177.73436
   67    59 S   C3T  _C16    83     1.51711   118.60643  -128.99552
   68    67 S   HC   _H42    84     1.08057   119.95033  -153.80965
   69    64 S   CT   _C15    64     1.55373   113.62032    58.67103
   70    69 S   HC   _H41    65     1.09707   108.72476   -42.89338
   71    59 S   O3T  _O26    85     1.44150   112.30678   -64.74772
   72    67 S   CT   _C20    86     1.48200   122.28518     0.14804
   73    72 S   HC   _H46    87     1.10496   112.00920    24.36944
   74    72 S   HC   _H47    88     1.10532   112.03247   -95.56447
   75    72 S   HC   _H48    89     1.10479   112.01250   144.42822
   76    69 S   CT   _C18    66     1.56352   111.87149  -162.04833
   77    69 S   CT   _C19    79     1.53690   109.04556    73.25079
   78    77 S   HC   _H43    80     1.08525   109.29743    62.58714
   79    77 S   HC   _H44    81     1.08556   109.32596   -57.38181
   80    77 S   HC   _H45    82     1.08548   109.31411  -177.35211
   81    76 S   CO4  _C7_    67     1.53317   110.86697    64.13422
   82    81 S   O    _O23    68     1.22466   124.07467  -111.93665
   83    76 S   CT   _C21    73     1.53276   113.53410  -173.03210
   84    83 S   HC   _H49    74     1.08722   109.54902    56.02716
   85    83 S   HC   _H50    75     1.08682   109.54738   -63.92937
   86    83 S   HC   _H51    76     1.08673   109.55322   176.03711
   87    76 S   OH   _O27    77     1.42728   108.60612   -53.16760
   88    87 S   HO   _H55    78     0.96966   106.45959    59.75422
   89    81 S   OS   _O24    69     1.36589   110.33019    66.52837
  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   9   5   4   3
  15   7   2   1   1  15  13   4   3  13   5   7   3   2  12   6
   9   6   5   7   7   3   2  10   4   4  14   3   2   1   1  16
   7   6   7   5  16   8   4   3   2   1   1  13   6   2   1   1
   8   3   6   3   2   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    58    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    47    53    58    39    40    41    60    89    44    45    46  
   38    42    58    39    40    41    44  
   36    37  
   37  
    0  
   42    43    47    48    49    58    39    40    41    52    81    89    44    45    46  
   40    41    60    61    62    63    44    42    49    53    54    55    58  
   41    60    53    58  
   60    53    58  
   43    47    48    49    50    51    53    52    56    89    44    45    46  
   47    48    49    52    44  
   45    46    47    76    81    82    89  
   46    81    89  
   81    89  
   48    49    50    51    53    54    55    58    52    56    57    59  
   49    50    51    53    52    56  
   50    51    53    54    55    58    60    52    56  
   51    53    54    55    58    52  
   53    54    55    58    52  
   56    57    59    64    67    71    53  
   54    55    58    60    61    62    63  
   55    58    60  
   58    60  
   57    59    64    65    66    69    67    68    71    72  
   59    64    67    71  
   60    61    62    63  
   64    65    66    69    70    76    77    67    68    71    72    73    74    75  
   61    62    63  
   62    63  
   63  
    0  
   65    66    69    70    76    81    83    87    77    78    79    80    67    68    71    72  
   66    69    70    76    77    67    71  
   69    70    76    77    67    71  
   68    71    72    73    74    75    69  
   71    72    73    74    75  
   70    76    81    82    89    83    84    85    86    87    88    77    78    79    80    71  
   76    81    83    87    77    78    79    80  
   72    73    74    75  
   73    74    75  
   74    75  
   75  
    0  
   81    82    89    83    84    85    86    87    88    77    78    79    80  
   78    79    80    81    83    87  
   79    80  
   80  
    0  
   82    89    83    84    85    86    87    88  
   89    83    87  
   84    85    86    87    88    89  
   85    86    87  
   86    87  
   87  
   88    89  
    0  
    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  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   59   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   72   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
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    39   268.000  1.529
   38    42   465.000  1.376
   38    44   317.000  1.510
   42    43   745.000  1.250
   42    47   270.000  1.512
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    52   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   382.000  1.448
   58    39   382.000  1.448
   58    60   382.000  1.448
   39    40   340.000  1.090
   39    41   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   52    56   214.000  1.327
   56    57   570.000  1.229
   56    59   290.000  1.496
   59    64   275.000  1.510
   59    67   260.000  1.509
   59    71   335.000  1.432
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    69   268.000  1.529
   69    70   340.000  1.090
   69    76   268.000  1.529
   69    77   268.000  1.529
   76    81   317.000  1.522
   76    83   268.000  1.529
   76    87   320.000  1.410
   81    82   570.000  1.229
   81    89   214.000  1.327
   89    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   87    88   553.000  0.945
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   67    68   340.000  1.088
   67    71   335.000  1.432
   67    72   275.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   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    39    75.00000  111.63000
   33    38    42    70.00000  124.00000
   33    38    44    65.00000  117.92700
   33    39    58    56.20000  109.47000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    47    65.00000  122.18000
   38    44    89    85.00000  110.90400
   38    44    45    35.00000  109.50000
   38    44    46    35.00000  109.50000
   42    47    48    45.00000  110.52000
   42    47    49    70.00000  112.02700
   42    47    52    85.00000  110.90400
   47    42    43    85.00000  112.85300
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    53    58.35000  112.70000
   47    52    56    83.00000  116.90000
   49    47    48    37.50000  110.70000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    58    56.20000  109.47000
   51    49    50    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   53    58    39    51.80000  107.20000
   53    58    60    51.80000  107.20000
   55    53    54    33.00000  107.80000
   58    53    54    35.00000  109.50000
   58    53    55    35.00000  109.50000
   58    39    40    35.00000  109.50000
   58    39    41    35.00000  109.50000
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    63    35.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   60    58    39    51.80000  107.20000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   52    47    48    35.00000  109.50000
   52    47    49    50.00000  109.50000
   52    56    57    83.00000  123.40000
   52    56    59    81.00000  111.40000
   56    59    64    63.00000  111.10000
   56    59    67    65.00000  117.18000
   56    59    71    80.00000  114.91000
   59    56    57    75.00000  121.36600
   59    64    65    45.00000  109.38400
   59    64    66    45.00000  109.38400
   59    64    69    70.00000  112.37300
   59    67    68    37.50000  117.20000
   59    67    71    15.00000   60.43100
   59    67    72    60.00000  120.94000
   59    71    67    15.00000   59.14900
   64    69    70    37.50000  110.70000
   64    69    76    58.35000  112.70000
   64    69    77    58.35000  112.70000
   66    64    65    33.00000  107.80000
   69    64    65    37.50000  110.70000
   69    64    66    37.50000  110.70000
   69    76    81    63.00000  111.10000
   69    76    83    58.35000  112.70000
   69    76    87    50.00000  109.50000
   69    77    78    37.50000  110.70000
   69    77    79    37.50000  110.70000
   69    77    80    37.50000  110.70000
   76    69    70    37.50000  110.70000
   76    81    82    80.00000  120.40000
   76    81    89    81.00000  111.40000
   76    83    84    37.50000  110.70000
   76    83    85    37.50000  110.70000
   76    83    86    37.50000  110.70000
   76    87    88    55.00000  108.50000
   81    89    44    83.00000  116.90000
   89    81    82    83.00000  123.40000
   89    44    45    35.00000  109.50000
   89    44    46    35.00000  109.50000
   44    38    42    70.00000  124.00000
   46    44    45    33.00000  107.80000
   83    76    81    63.00000  111.10000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   87    76    81    90.00000  109.61100
   87    76    83    50.00000  109.50000
   77    69    70    37.50000  110.70000
   77    69    76    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   67    59    64    60.00000  120.94000
   67    72    73    45.00000  109.38400
   67    72    74    45.00000  109.38400
   67    72    75    45.00000  109.38400
   71    59    64    80.00000  116.47100
   71    59    67    15.00000   60.43100
   71    67    68    50.00000  114.27700
   72    67    68    40.00000  115.04500
   72    67    71    80.00000  116.47100
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    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    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    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    38    44   0.30250  1.0 1.0
   29    33    38    44  -0.14950 -1.0 2.0
   29    33    38    44   0.36900  1.0 3.0
   29    33    39    58   0.56750  1.0 1.0
   29    33    39    58  -0.07550 -1.0 2.0
   29    33    39    58   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    47   7.00000 -1.0 2.0
   33    38    44    89   0.09700  1.0 1.0
   33    38    44    89   0.15600 -1.0 2.0
   33    38    44    89  -0.50800  1.0 3.0
   33    38    44    45   0.34800  1.0 3.0
   33    38    44    46   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    44   0.34800  1.0 3.0
   34    33    39    58   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   38    33    39    58   0.59950  1.0 1.0
   38    33    39    58  -0.21400 -1.0 2.0
   38    33    39    58   0.56200  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    42    47    48   0.00000  1.0 1.0
   38    42    47    49   0.09850  1.0 1.0
   38    42    47    49   0.15250 -1.0 2.0
   38    42    47    49  -0.50650  1.0 3.0
   38    42    47    52   0.39000  1.0 1.0
   38    42    47    52  -0.05800 -1.0 2.0
   38    42    47    52  -0.55150  1.0 3.0
   42    38    44    89   0.39000  1.0 1.0
   42    38    44    89  -0.05800 -1.0 2.0
   42    38    44    89  -0.55150  1.0 3.0
   42    38    44    45   0.00000  1.0 1.0
   42    38    44    46   0.00000  1.0 1.0
   42    47    49    50   0.15000  1.0 3.0
   42    47    49    51   0.15000  1.0 3.0
   42    47    49    53   0.34400  1.0 1.0
   42    47    49    53   0.09450 -1.0 2.0
   42    47    49    53   0.11100  1.0 3.0
   42    47    52    56  -0.82050  1.0 1.0
   42    47    52    56   0.00600 -1.0 2.0
   42    47    52    56   0.04400  1.0 3.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    49   0.09700  1.0 1.0
   43    42    47    49   0.15600 -1.0 2.0
   43    42    47    49  -0.50800  1.0 3.0
   43    42    47    52   0.09700  1.0 1.0
   43    42    47    52   0.15600 -1.0 2.0
   43    42    47    52  -0.50800  1.0 3.0
   47    49    53    54   0.15000  1.0 3.0
   47    49    53    55   0.15000  1.0 3.0
   47    49    53    58   1.53400  1.0 1.0
   47    49    53    58  -0.09950 -1.0 2.0
   47    49    53    58   0.05700  1.0 3.0
   47    52    56    57   3.00000 -1.0 2.0
   47    52    56    59   1.63150  1.0 1.0
   47    52    56    59   2.92000 -1.0 2.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    53   0.15000  1.0 3.0
   48    47    52    56   0.08050  1.0 3.0
   49    47    52    56  -0.25900  1.0 1.0
   49    47    52    56  -0.47000 -1.0 2.0
   49    47    52    56   0.11750  1.0 3.0
   49    53    58    39   0.23450  1.0 1.0
   49    53    58    39   0.02050 -1.0 2.0
   49    53    58    39   0.25250  1.0 3.0
   49    53    58    60   0.23450  1.0 1.0
   49    53    58    60   0.02050 -1.0 2.0
   49    53    58    60   0.25250  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    58   0.15000  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    55   0.15000  1.0 3.0
   51    49    53    58   0.15000  1.0 3.0
   53    58    39    33   0.23450  1.0 1.0
   53    58    39    33   0.02050 -1.0 2.0
   53    58    39    33   0.25250  1.0 3.0
   53    58    39    40   0.28000  1.0 3.0
   53    58    39    41   0.28000  1.0 3.0
   53    58    60    61   0.28000  1.0 3.0
   53    58    60    62   0.28000  1.0 3.0
   53    58    60    63   0.28000  1.0 3.0
   54    53    58    39   0.28000  1.0 3.0
   54    53    58    60   0.28000  1.0 3.0
   55    53    58    39   0.28000  1.0 3.0
   55    53    58    60   0.28000  1.0 3.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    33    38    44   0.46850  1.0 1.0
   39    33    38    44   0.08550 -1.0 2.0
   39    33    38    44   0.09800  1.0 3.0
   39    58    60    61   0.28000  1.0 3.0
   39    58    60    62   0.28000  1.0 3.0
   39    58    60    63   0.28000  1.0 3.0
   60    58    39    33   0.23450  1.0 1.0
   60    58    39    33   0.02050 -1.0 2.0
   60    58    39    33   0.25250  1.0 3.0
   60    58    39    40   0.28000  1.0 3.0
   60    58    39    41   0.28000  1.0 3.0
   52    47    49    50   0.23400  1.0 3.0
   52    47    49    51   0.23400  1.0 3.0
   52    47    49    53   0.62750  1.0 1.0
   52    47    49    53  -0.30950 -1.0 2.0
   52    47    49    53   0.27300  1.0 3.0
   52    56    59    64   0.36750  1.0 3.0
   52    56    59    67   0.36750  1.0 3.0
   52    56    59    71   0.40000  1.0 3.0
   56    59    64    65  -0.11250  1.0 3.0
   56    59    64    66  -0.11250  1.0 3.0
   56    59    64    69  -0.95700  1.0 1.0
   56    59    64    69  -0.18200 -1.0 2.0
   56    59    64    69   0.29450  1.0 3.0
   56    59    67    68   0.15000  1.0 3.0
   56    59   -67    71  -0.09450  1.0 1.0
   56    59   -67    71  -1.12950 -1.0 2.0
   56    59   -67    71   0.54000  1.0 3.0
   56    59    67    72  -0.95700  1.0 1.0
   56    59    67    72  -0.18200 -1.0 2.0
   56    59    67    72   0.29450  1.0 3.0
   56    59   -71    67  -1.11000  1.0 1.0
   56    59   -71    67   0.50250 -1.0 2.0
   56    59   -71    67   0.47450  1.0 3.0
   57    56    59    64   0.30150 -1.0 2.0
   57    56    59    67   0.30150 -1.0 2.0
   57    56    59    71   0.30150 -1.0 2.0
   59    64    69    70   0.15000  1.0 3.0
   59    64    69    76   0.47050  1.0 1.0
   59    64    69    76   0.03900 -1.0 2.0
   59    64    69    76   0.20100  1.0 3.0
   59    64    69    77   0.47050  1.0 1.0
   59    64    69    77   0.03900 -1.0 2.0
   59    64    69    77   0.20100  1.0 3.0
   59    67    72    73   0.15000  1.0 3.0
   59    67    72    74   0.15000  1.0 3.0
   59    67    72    75   0.15000  1.0 3.0
   64    59    67    68   0.15000  1.0 3.0
   64    59   -67    71   0.02550  1.0 1.0
   64    59   -67    71  -0.02600 -1.0 2.0
   64    59   -67    71   1.20400  1.0 3.0
   64    59    67    72   0.56750  1.0 1.0
   64    59    67    72  -0.07550 -1.0 2.0
   64    59    67    72   0.20000  1.0 3.0
   64    59   -71    67   0.06250  1.0 1.0
   64    59   -71    67  -0.01100 -1.0 2.0
   64    59   -71    67   0.28050  1.0 3.0
   64    69    76    81  -0.95700  1.0 1.0
   64    69    76    81  -0.18200 -1.0 2.0
   64    69    76    81   0.29450  1.0 3.0
   64    69    76    83   0.56750  1.0 1.0
   64    69    76    83  -0.07550 -1.0 2.0
   64    69    76    83   0.20000  1.0 3.0
   64    69    76    87   0.86500  1.0 1.0
   64    69    76    87  -0.17500 -1.0 2.0
   64    69    76    87   0.20800  1.0 3.0
   64    69    77    78   0.15000  1.0 3.0
   64    69    77    79   0.15000  1.0 3.0
   64    69    77    80   0.15000  1.0 3.0
   65    64    69    70   0.15000  1.0 3.0
   65    64    69    76   0.15000  1.0 3.0
   65    64    69    77   0.15000  1.0 3.0
   66    64    69    70   0.15000  1.0 3.0
   66    64    69    76   0.15000  1.0 3.0
   66    64    69    77   0.15000  1.0 3.0
   69    76    81    82   0.30150 -1.0 2.0
   69    76    81    89   0.36750  1.0 3.0
   69    76    83    84   0.15000  1.0 3.0
   69    76    83    85   0.15000  1.0 3.0
   69    76    83    86   0.15000  1.0 3.0
   69    76    87    88  -0.11600  1.0 1.0
   69    76    87    88  -0.09450 -1.0 2.0
   69    76    87    88   0.21250  1.0 3.0
   70    69    76    81  -0.11250  1.0 3.0
   70    69    76    83   0.15000  1.0 3.0
   70    69    76    87   0.23400  1.0 3.0
   70    69    77    78   0.15000  1.0 3.0
   70    69    77    79   0.15000  1.0 3.0
   70    69    77    80   0.15000  1.0 3.0
   76    69    77    78   0.15000  1.0 3.0
   76    69    77    79   0.15000  1.0 3.0
   76    69    77    80   0.15000  1.0 3.0
   76    81    89    44   1.63150  1.0 1.0
   76    81    89    44   2.92000 -1.0 2.0
   81    76    83    84  -0.11250  1.0 3.0
   81    76    83    85  -0.11250  1.0 3.0
   81    76    83    86  -0.11250  1.0 3.0
   81    76    87    88   0.91850  1.0 1.0
   81    76    87    88   0.57950  1.0 3.0
   81    89    44    38  -0.82050  1.0 1.0
   81    89    44    38   0.00600 -1.0 2.0
   81    89    44    38   0.04400  1.0 3.0
   81    89    44    45   0.08050  1.0 3.0
   81    89    44    46   0.08050  1.0 3.0
   82    81    89    44   3.00000 -1.0 2.0
   44    38    42    43   7.00000 -1.0 2.0
   44    38    42    47   7.00000 -1.0 2.0
   83    76    81    82   0.30150 -1.0 2.0
   83    76    81    89   0.36750  1.0 3.0
   83    76    87    88  -0.11600  1.0 1.0
   83    76    87    88  -0.09450 -1.0 2.0
   83    76    87    88   0.21250  1.0 3.0
   87    76    81    82   0.30150 -1.0 2.0
   87    76    81    89   0.30750  1.0 1.0
   87    76    81    89   1.13850 -1.0 2.0
   87    76    81    89   0.38850  1.0 3.0
   87    76    83    84   0.23400  1.0 3.0
   87    76    83    85   0.23400  1.0 3.0
   87    76    83    86   0.23400  1.0 3.0
   77    69    76    81  -0.95700  1.0 1.0
   77    69    76    81  -0.18200 -1.0 2.0
   77    69    76    81   0.29450  1.0 3.0
   77    69    76    83   0.56750  1.0 1.0
   77    69    76    83  -0.07550 -1.0 2.0
   77    69    76    83   0.20000  1.0 3.0
   77    69    76    87   0.86500  1.0 1.0
   77    69    76    87  -0.17500 -1.0 2.0
   77    69    76    87   0.20800  1.0 3.0
   67    59    64    65   0.15000  1.0 3.0
   67    59    64    66   0.15000  1.0 3.0
   67    59    64    69   0.07850  1.0 1.0
   67    59    64    69  -0.03950 -1.0 2.0
   67    59    64    69   0.67350  1.0 3.0
   68    67   -71    59   0.36800  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    75   0.15000  1.0 3.0
   71    59    64    65   0.23400  1.0 3.0
   71    59    64    66   0.23400  1.0 3.0
   71    59    64    69   0.02550  1.0 1.0
   71    59    64    69  -0.02600 -1.0 2.0
   71    59    64    69   1.20400  1.0 3.0
   71    59   -67    68   0.23400  1.0 3.0
   71    59   -67    72   0.02550  1.0 1.0
   71    59   -67    72  -0.02600 -1.0 2.0
   71    59   -67    72   1.20400  1.0 3.0
   71    67    72    73   0.23400  1.0 3.0
   71    67    72    74   0.23400  1.0 3.0
   71    67    72    75   0.23400  1.0 3.0
   72    67   -71    59   0.06250  1.0 1.0
   72    67   -71    59  -0.01100 -1.0 2.0
   72    67   -71    59   0.28050  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   33    44    38    42   1.10000 -1.0 2.0
   47    43    42    38   1.10000 -1.0 2.0
   52    59    56    57  10.50000 -1.0 2.0
   76    89    81    82  10.50000 -1.0 2.0
END
