* LIGAND DATABASE FILE (OPLS2005)
*
001      91    91    164    240     479
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02069   104.34021   -34.99869
    3     1 S   H    _H1_     3     1.02056    68.83077    69.81729
    4     1 S   H    _H2_     4     1.02054    44.20549  -137.20469
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08639   110.43529    58.94977
   26    24 S   HC   HB22    34     1.08669   109.83319   178.93210
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CO   _C15    36     1.86808   101.64266  -160.02838
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C16    37     1.58788   111.65622   179.96574
   38    33 S   OH   _O36    50     1.43893   108.27950    64.34156
   39    38 S   HO   _H25    51     0.97060   106.61769   -60.41312
   40    33 S   OS   _O35    52     1.44808   112.07834   -60.95514
   41    37 S   CT   _C17    38     1.55266   109.44150   -57.33033
   42    41 S   HC   _H16    39     1.09633   111.04502   -58.23909
   43    41 S   HC   _H17    40     1.09499   111.69446  -177.81090
   44    41 S   HC   _H18    41     1.09552   111.63498    61.23080
   45    37 S   CT   _C18    42     1.54777   112.19128    61.13510
   46    45 S   HC   _H19    43     1.09640   110.84968    60.03242
   47    45 S   HC   _H20    44     1.09442   112.02405   -59.19553
   48    45 S   HC   _H21    45     1.09556   111.66193   179.50425
   49    37 S   CT   _C19    46     1.54277   112.89741  -176.14984
   50    49 S   HC   _H22    47     1.09559   111.62232   -59.72140
   51    49 S   HC   _H23    48     1.09621   110.96626    59.71925
   52    49 S   HC   _H24    49     1.09415   111.91035   178.70608
   53    40 S   CA   _C14    53     1.36651   120.86282    87.84672
   54    53 S   CA   _C13    54     1.39472   119.45457    60.03605
   55    54 S   HA   _H15    55     1.08699   120.37266    -0.07133
   56    54 S   CA   _C12    56     1.39501   120.00808  -179.98022
   57    56 S   HA   _H14    57     1.08652   119.49237   179.89913
   58    56 S   CA   _C11    58     1.39472   120.00338    -0.10835
   59    58 S   CA   _C10    59     1.39472   119.98841     0.11014
   60    59 S   HA   _H13    60     1.08768   120.15929   179.96574
   61    58 S   CT   _C20    78     1.49094   120.02434   179.92598
   62    61 S   HC   _H3_    79     1.10431   111.68119  -179.93744
   63    53 S   CA   _C9_    61     1.39512   120.55082  -120.00587
   64    61 S   CT   _C21    80     1.53357   112.44492   -57.02468
   65    64 S   HC   _H26    81     1.09502   111.96271    79.98207
   66    64 S   HC   _H27    82     1.09493   112.36337   -44.20339
   67    61 S   OH   _O37    90     1.43365   108.61907    62.93722
   68    67 S   HO   _H33    91     0.96665   106.12891  -179.97202
   69    63 S   OS   _O34    62     1.36203   120.52788    -0.05595
   70    64 S   NP   _N4_    83     1.48575   109.85412  -161.89539
   71    70 S   H    _H28    84     1.02918   109.16357    56.11759
   72    70 S   H    _H29    85     1.02950   109.17523   -58.99803
   73    69 S   CO4  _C8_    63     1.35336   113.26529   -89.95276
   74    73 S   O    _O33    64     1.22677   127.38516     0.59873
   75    70 S   CT   _C22    86     1.48790   114.29662   178.54008
   76    75 S   HC   _H30    87     1.09198   107.76445    57.52682
   77    75 S   HC   _H31    88     1.09183   107.80639   177.55648
   78    75 S   HC   _H32    89     1.09108   107.80791   -62.45765
   79    73 S   CT   _C5_    65     1.53526   108.82304   179.98022
   80    79 S   CT   _C4_    66     1.53462   109.41838    60.02475
   81    80 S   HC   _H4_    67     1.09689   111.00660   179.94405
   82    80 S   HC   _H5_    68     1.09525   111.64706   -60.50321
   83    80 S   HC   _H6_    69     1.09554   111.22087    59.74195
   84    79 S   CT   _C6_    70     1.53570   109.54556  -178.76362
   85    84 S   HC   _H7_    71     1.09501   111.63872  -179.97202
   86    84 S   HC   _H8_    72     1.09564   111.20223    59.90998
   87    84 S   HC   _H9_    73     1.09582   111.01703   -60.36126
   88    79 S   CT   _C7_    74     1.53715   109.56947   -59.38414
   89    88 S   HC   _H10    75     1.09565   111.25731  -180.00000
   90    88 S   HC   _H11    76     1.09557   111.27015   -59.79941
   91    88 S   HC   _H12    77     1.09678   111.20039    60.32814
  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
  19   2   1   1  16   6   1  10  11   4   3   2   7   3   2   1
   3   2   1   1  10   8   4   9   3  12   8   3  11   6   4  11
   6   5   2   1   6   6   5   4  14   4   3   2   1   1  12  11
   4   3   2   7   3   2   1   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    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    45    49    38    39    40    53  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    43    44    45    46    47    48    49    50    51    52    38    39    40    53    54    63  
   35    36  
   36  
    0  
   41    42    43    44    45    46    47    48    49    50    51    52    38    39    40    53  
   39    40    53    41    45    49  
   40  
   53    54    55    56    59    63    69    41    45    49  
   42    43    44    45    46    47    48    49    50    51    52  
   43    44    45    49  
   44    45    49  
   45    49  
   46    47    48    49    50    51    52  
   47    48    49  
   48    49  
   49  
   50    51    52  
   51    52  
   52  
    0  
   54    55    56    57    58    59    60    63    69    73  
   55    56    57    58    59    63    69    61  
   56    57    58    63  
   57    58    59    60    63    61    62    64    67  
   58    59    61  
   59    60    63    69    61    62    64    65    66    70    67    68  
   60    63    69    73    61    62    64    67  
   63    69    61  
   62    64    65    66    70    71    72    75    67    68    63  
   64    65    66    70    67    68  
   69    73    74    79  
   65    66    70    71    72    75    76    77    78    67    68  
   66    70    71    72    75    67  
   70    71    72    75    67  
   68    70  
    0  
   73    74    79    80    84    88  
   71    72    75    76    77    78  
   72    75    76    77    78  
   75    76    77    78  
   74    79    80    81    82    83    84    85    86    87    88    89    90    91  
   79    80    84    88  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83    84    85    86    87    88    89    90    91  
   81    82    83    84    85    86    87    88    89    90    91  
   82    83    84    88  
   83    84    88  
   84    88  
   85    86    87    88    89    90    91  
   86    87    88  
   87    88  
   88  
   89    90    91  
   90    91  
   91  
    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  -0.175000   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   0.372200   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   39   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   40   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.2500   0.1700  -0.200000   2.1950   1.9500   0.003973653   1.685851020
   71   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   72   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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   250.000  1.527
   33    38   380.000  1.407
   33    40   320.000  1.380
   37    41   268.000  1.529
   37    45   268.000  1.529
   37    49   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   38    39   553.000  0.945
   40    53   450.000  1.364
   53    54   469.000  1.400
   53    63   469.000  1.400
   54    55   367.000  1.080
   54    56   469.000  1.400
   56    57   367.000  1.080
   56    58   469.000  1.400
   58    59   469.000  1.400
   58    61   317.000  1.510
   59    60   367.000  1.080
   59    63   469.000  1.400
   63    69   450.000  1.364
   69    73   214.000  1.327
   73    74   570.000  1.229
   73    79   317.000  1.522
   79    80   268.000  1.529
   79    84   268.000  1.529
   79    88   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   61    62   340.000  1.090
   61    64   268.000  1.529
   61    67   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   367.000  1.471
   70    71   434.000  1.010
   70    72   434.000  1.010
   70    75   367.000  1.471
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   67    68   553.000  0.945
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    38    85.00000  114.68000
   29    33    40    85.00000  114.68000
   33    37    41    75.00000  109.43000
   33    37    45    75.00000  109.43000
   33    37    49    75.00000  109.43000
   33    38    39    70.00000  107.92000
   33    40    53   100.00000  112.36700
   37    41    42    37.50000  110.70000
   37    41    43    37.50000  110.70000
   37    41    44    37.50000  110.70000
   37    45    46    37.50000  110.70000
   37    45    47    37.50000  110.70000
   37    45    48    37.50000  110.70000
   37    49    50    37.50000  110.70000
   37    49    51    37.50000  110.70000
   37    49    52    37.50000  110.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
   45    37    41    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   49    37    41    58.35000  112.70000
   49    37    45    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   38    33    37    90.00000  110.19100
   40    33    37    90.00000  108.56700
   40    33    38   110.00000  112.08000
   40    53    54    70.00000  120.00000
   40    53    63    70.00000  120.00000
   53    54    55    35.00000  120.00000
   53    54    56    63.00000  120.00000
   53    63    59    63.00000  120.00000
   53    63    69    70.00000  120.00000
   54    56    57    35.00000  120.00000
   54    56    58    63.00000  120.00000
   56    54    55    35.00000  120.00000
   56    58    59    63.00000  120.00000
   56    58    61    70.00000  120.00000
   58    56    57    35.00000  120.00000
   58    59    60    35.00000  120.00000
   58    59    63    63.00000  120.00000
   58    61    62    35.00000  109.50000
   58    61    64    70.00000  112.17500
   58    61    67    90.00000  112.51600
   59    63    69    70.00000  120.00000
   63    53    54    63.00000  120.00000
   63    59    60    35.00000  120.00000
   63    69    73    85.00000  115.98000
   69    73    74    83.00000  123.40000
   69    73    79    81.00000  111.40000
   73    79    80    63.00000  111.10000
   73    79    84    63.00000  111.10000
   73    79    88    63.00000  111.10000
   79    73    74    80.00000  120.40000
   79    80    81    37.50000  110.70000
   79    80    82    37.50000  110.70000
   79    80    83    37.50000  110.70000
   79    84    85    37.50000  110.70000
   79    84    86    37.50000  110.70000
   79    84    87    37.50000  110.70000
   79    88    89    37.50000  110.70000
   79    88    90    37.50000  110.70000
   79    88    91    37.50000  110.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   84    79    80    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   88    79    80    58.35000  112.70000
   88    79    84    58.35000  112.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   61    58    59    70.00000  120.00000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    70    80.00000  111.20000
   61    67    68    55.00000  108.50000
   64    61    62    37.50000  110.70000
   64    70    71    35.00000  109.50000
   64    70    72    35.00000  109.50000
   64    70    75    75.00000  113.01200
   66    64    65    33.00000  107.80000
   70    64    65    35.00000  109.50000
   70    64    66    35.00000  109.50000
   70    75    76    35.00000  109.50000
   70    75    77    35.00000  109.50000
   70    75    78    35.00000  109.50000
   72    70    71    35.00000  109.50000
   75    70    71    35.00000  109.50000
   75    70    72    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   67    61    62    35.00000  109.50000
   67    61    64    50.00000  109.50000
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    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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    41   0.44750  1.0 1.0
   29    33    37    41  -0.17800 -1.0 2.0
   29    33    37    41   0.20200  1.0 3.0
   29    33    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    37    49   0.44750  1.0 1.0
   29    33    37    49  -0.17800 -1.0 2.0
   29    33    37    49   0.20200  1.0 3.0
   29    33    38    39   0.35600  1.0 1.0
   29    33    38    39  -0.10750 -1.0 2.0
   29    33    38    39  -0.54400  1.0 3.0
   29    33    40    53   0.14700  1.0 1.0
   29    33    40    53  -1.16150 -1.0 2.0
   29    33    40    53   0.48700  1.0 3.0
   33    37    41    42   0.15000  1.0 3.0
   33    37    41    43   0.15000  1.0 3.0
   33    37    41    44   0.15000  1.0 3.0
   33    37    45    46   0.15000  1.0 3.0
   33    37    45    47   0.15000  1.0 3.0
   33    37    45    48   0.15000  1.0 3.0
   33    37    49    50   0.15000  1.0 3.0
   33    37    49    51   0.15000  1.0 3.0
   33    37    49    52   0.15000  1.0 3.0
   33    40    53    54   1.63200 -1.0 2.0
   33    40    53    63   1.63200 -1.0 2.0
   37    33    38    39  -0.11600  1.0 1.0
   37    33    38    39  -0.09450 -1.0 2.0
   37    33    38    39   0.21250  1.0 3.0
   37    33    40    53  -0.32850  1.0 1.0
   37    33    40    53  -0.35800 -1.0 2.0
   37    33    40    53   0.33950  1.0 3.0
   41    37    45    46   0.15000  1.0 3.0
   41    37    45    47   0.15000  1.0 3.0
   41    37    45    48   0.15000  1.0 3.0
   41    37    49    50   0.15000  1.0 3.0
   41    37    49    51   0.15000  1.0 3.0
   41    37    49    52   0.15000  1.0 3.0
   45    37    41    42   0.15000  1.0 3.0
   45    37    41    43   0.15000  1.0 3.0
   45    37    41    44   0.15000  1.0 3.0
   45    37    49    50   0.15000  1.0 3.0
   45    37    49    51   0.15000  1.0 3.0
   45    37    49    52   0.15000  1.0 3.0
   49    37    41    42   0.15000  1.0 3.0
   49    37    41    43   0.15000  1.0 3.0
   49    37    41    44   0.15000  1.0 3.0
   49    37    45    46   0.15000  1.0 3.0
   49    37    45    47   0.15000  1.0 3.0
   49    37    45    48   0.15000  1.0 3.0
   38    33    37    41   0.86500  1.0 1.0
   38    33    37    41  -0.17500 -1.0 2.0
   38    33    37    41   0.20800  1.0 3.0
   38    33    37    45   0.86500  1.0 1.0
   38    33    37    45  -0.17500 -1.0 2.0
   38    33    37    45   0.20800  1.0 3.0
   38    33    37    49   0.86500  1.0 1.0
   38    33    37    49  -0.17500 -1.0 2.0
   38    33    37    49   0.20800  1.0 3.0
   38    33    40    53  -0.25600  1.0 1.0
   38    33    40    53  -0.40050 -1.0 2.0
   38    33    40    53   0.34700  1.0 3.0
   40    33    37    41   0.62750  1.0 1.0
   40    33    37    41  -0.30950 -1.0 2.0
   40    33    37    41   0.27300  1.0 3.0
   40    33    37    45   0.62750  1.0 1.0
   40    33    37    45  -0.30950 -1.0 2.0
   40    33    37    45   0.27300  1.0 3.0
   40    33    37    49   0.62750  1.0 1.0
   40    33    37    49  -0.30950 -1.0 2.0
   40    33    37    49   0.27300  1.0 3.0
   40    33    38    39  -0.50000  1.0 1.0
   40    33    38    39  -0.73950 -1.0 2.0
   40    33    38    39   0.17150  1.0 3.0
   40    53    54    55   3.62500 -1.0 2.0
   40    53    54    56   3.62500 -1.0 2.0
   40    53    63    59   3.62500 -1.0 2.0
   40    53    63    69   3.62500 -1.0 2.0
   53    54    56    57   3.62500 -1.0 2.0
   53    54    56    58   3.62500 -1.0 2.0
   53    63    69    73   0.01300  1.0 1.0
   53    63    69    73   0.97950 -1.0 2.0
   53    63    69    73  -0.55700  1.0 3.0
   54    53    63    59   3.62500 -1.0 2.0
   54    53    63    69   3.62500 -1.0 2.0
   54    56   -58    59   3.62500 -1.0 2.0
   54    56    58    61   3.62500 -1.0 2.0
   55    54    56    57   3.62500 -1.0 2.0
   55    54    56    58   3.62500 -1.0 2.0
   56    58    59    60   3.62500 -1.0 2.0
   56    58    59    63   3.62500 -1.0 2.0
   56    58    61    62   0.00000  1.0 1.0
   56    58    61    64   0.04150 -1.0 2.0
   56    58    61    67   0.14300 -1.0 2.0
   56    58    61    67   0.00300  1.0 3.0
   57    56    58    59   3.62500 -1.0 2.0
   57    56    58    61   3.62500 -1.0 2.0
   58    59   -63    53   3.62500 -1.0 2.0
   58    59    63    69   3.62500 -1.0 2.0
   58    61    64    65   0.43200  1.0 3.0
   58    61    64    66   0.43200  1.0 3.0
   58    61    64    70   1.24050  1.0 1.0
   58    61    64    70   0.48100 -1.0 2.0
   58    61    64    70   1.08150  1.0 3.0
   58    61    67    68   0.31900  1.0 1.0
   58    61    67    68  -0.11800 -1.0 2.0
   58    61    67    68   0.38750  1.0 3.0
   59    58    61    62   0.00000  1.0 1.0
   59    58    61    64   0.04150 -1.0 2.0
   59    58    61    67   0.14300 -1.0 2.0
   59    58    61    67   0.00300  1.0 3.0
   59    63    69    73   0.01300  1.0 1.0
   59    63    69    73   0.97950 -1.0 2.0
   59    63    69    73  -0.55700  1.0 3.0
   60    59    63    53   3.62500 -1.0 2.0
   60    59    63    69   3.62500 -1.0 2.0
   63    53    54    55   3.62500 -1.0 2.0
   63    53   -54    56   3.62500 -1.0 2.0
   63    69    73    74   3.00000 -1.0 2.0
   63    69    73    79   0.75600  1.0 1.0
   63    69    73    79   1.63000 -1.0 2.0
   69    73    79    80   0.36750  1.0 3.0
   69    73    79    84   0.36750  1.0 3.0
   69    73    79    88   0.36750  1.0 3.0
   73    79    80    81  -0.11250  1.0 3.0
   73    79    80    82  -0.11250  1.0 3.0
   73    79    80    83  -0.11250  1.0 3.0
   73    79    84    85  -0.11250  1.0 3.0
   73    79    84    86  -0.11250  1.0 3.0
   73    79    84    87  -0.11250  1.0 3.0
   73    79    88    89  -0.11250  1.0 3.0
   73    79    88    90  -0.11250  1.0 3.0
   73    79    88    91  -0.11250  1.0 3.0
   74    73    79    80   0.30150 -1.0 2.0
   74    73    79    84   0.30150 -1.0 2.0
   74    73    79    88   0.30150 -1.0 2.0
   80    79    84    85   0.15000  1.0 3.0
   80    79    84    86   0.15000  1.0 3.0
   80    79    84    87   0.15000  1.0 3.0
   80    79    88    89   0.15000  1.0 3.0
   80    79    88    90   0.15000  1.0 3.0
   80    79    88    91   0.15000  1.0 3.0
   84    79    80    81   0.15000  1.0 3.0
   84    79    80    82   0.15000  1.0 3.0
   84    79    80    83   0.15000  1.0 3.0
   84    79    88    89   0.15000  1.0 3.0
   84    79    88    90   0.15000  1.0 3.0
   84    79    88    91   0.15000  1.0 3.0
   88    79    80    81   0.15000  1.0 3.0
   88    79    80    82   0.15000  1.0 3.0
   88    79    80    83   0.15000  1.0 3.0
   88    79    84    85   0.15000  1.0 3.0
   88    79    84    86   0.15000  1.0 3.0
   88    79    84    87   0.15000  1.0 3.0
   61    58    59    60   3.62500 -1.0 2.0
   61    58    59    63   3.62500 -1.0 2.0
   61    64    70    71   0.17350  1.0 3.0
   61    64    70    72   0.17350  1.0 3.0
   61    64    70    75   0.47100  1.0 1.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    70   0.19200  1.0 3.0
   62    61    67    68   0.19450  1.0 3.0
   64    61    67    68  -0.11600  1.0 1.0
   64    61    67    68  -0.09450 -1.0 2.0
   64    61    67    68   0.21250  1.0 3.0
   64    70    75    76   0.15000  1.0 3.0
   64    70    75    77   0.15000  1.0 3.0
   64    70    75    78   0.15000  1.0 3.0
   65    64    70    71   0.13050  1.0 3.0
   65    64    70    72   0.13050  1.0 3.0
   65    64    70    75   0.15000  1.0 3.0
   66    64    70    71   0.13050  1.0 3.0
   66    64    70    72   0.13050  1.0 3.0
   66    64    70    75   0.15000  1.0 3.0
   71    70    75    76   0.13050  1.0 3.0
   71    70    75    77   0.13050  1.0 3.0
   71    70    75    78   0.13050  1.0 3.0
   72    70    75    76   0.13050  1.0 3.0
   72    70    75    77   0.13050  1.0 3.0
   72    70    75    78   0.13050  1.0 3.0
   67    61    64    65   0.23400  1.0 3.0
   67    61    64    66   0.23400  1.0 3.0
   67    61    64    70   1.69300  1.0 1.0
   67    61    64    70  -0.48450 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   54    63    53    40   4.00000 -1.0 2.0
   56    55    54    53   1.10000 -1.0 2.0
   58    57    56    54   1.10000 -1.0 2.0
   59    61    58    56   4.00000 -1.0 2.0
   63    60    59    58   1.10000 -1.0 2.0
   59    69    63    53   4.00000 -1.0 2.0
   69    79    73    74  10.50000 -1.0 2.0
END
