* LIGAND DATABASE FILE (OPLS2005)
*
001      75    78    145    232     429
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02106   101.71189   -44.41735
    3     1 S   H    _H1_     3     1.02066    74.85696    62.02683
    4     1 S   H    _H2_     4     1.02146    39.48298  -149.60763
    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     1.08491   110.67486    58.63995
   26    24 S   HC   HB22    34     1.08556   110.06595   179.19061
   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   CT   _C14    36     1.89754    95.78577   161.86182
   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   CM   _C15    37     1.51842   101.10683    40.01914
   38    37 S   HC   _H17    38     1.08640   118.08020   -77.68138
   39    33 S   CT   _C7_    68     1.60158   112.52074   -85.42069
   40    37 S   CM   _C16    39     1.34455   123.87313    99.82009
   41    40 S   OS   _O34    40     1.38018   124.33228    -1.32071
   42    40 S   OH   _O35    74     1.38215   118.86634   179.33412
   43    42 S   HO   _H20    75     0.96156   109.70764     0.00000
   44    41 S   CT   _C17    41     1.43425   115.93643   -11.53777
   45    44 S   HC   _H18    42     1.09606   109.00148   -83.54208
   46    44 S   HC   _H19    43     1.09629   106.76283   161.61782
   47    33 S   CT   _C13    44     1.55650   111.20517   152.74809
   48    47 S   HC   _H4_    45     1.09994   107.61478  -178.46609
   49    47 S   CT   _C12    46     1.52717   111.86849    64.98259
   50    49 S   HC   _H15    47     1.09461   112.00826   -64.88803
   51    49 S   HC   _H16    48     1.09764   109.63384   177.81950
   52    49 S   CT   _C11    49     1.52597   109.82412    58.38699
   53    52 S   HC   _H13    50     1.09866   107.72594    72.39335
   54    52 S   HC   _H14    51     1.09615   109.80594  -173.74260
   55    52 S   NT   _N4_    52     1.44902   115.60401   -47.36767
   56    55 S   CT   _C10    53     1.46500   117.57485   -95.42924
   57    56 S   HC   _H11    54     1.09313   113.63440    43.37003
   58    56 S   HC   _H12    55     1.09487   109.91095   -78.66296
   59    56 S   CM   _C9_    56     1.49650   103.43132   163.54968
   60    59 S   HC   _H10    57     1.08050   124.01769   162.54032
   61    59 S   CM   _C8_    58     1.33913   109.90632   -11.21659
   62    61 S   CM   _C18    59     1.43445   126.91803   167.91200
   63    62 S   HC   _H21    60     1.08365   119.12340    24.17720
   64    62 S   CM   _C19    61     1.34147   120.34552  -152.35351
   65    64 S   HC   _H22    62     1.08693   119.00803   179.67857
   66    64 S   CT   _C5_    63     1.50868   123.25769     0.45671
   67    66 S   HC   _H3_    64     1.09390   109.07976  -114.47852
   68    66 S   CT   _C6_    65     1.54424   113.78781     9.19603
   69    68 S   HC   _H8_    66     1.10229   107.43479    84.93612
   70    68 S   HC   _H9_    67     1.09681   109.21458  -162.89355
   71    66 S   OS   _O33    69     1.42949   109.28702   129.61262
   72    71 S   CT   _C4_    70     1.41851   111.29786   159.98486
   73    72 S   HC   _H5_    71     1.09290   109.51449   179.97202
   74    72 S   HC   _H6_    72     1.09325   109.51111    59.17270
   75    72 S   HC   _H7_    73     1.09237   108.97739   -60.40508
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  24   2   1   1  13   5  24   7   8   2   1   8   4   3  10   4
   7   5   4   9   3   2  11   7   4   3   6   2   8   7   3   8
   4   9   5   4   2   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    47    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    44    47    48    49    55    61    68    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    44    45    46    47    48    49    50    51    52    55    56    59    61    62    66    68    69    70    39    42  
   35    36  
   36  
    0  
   38    40    41    44    47    48    49    55    61    68    39    42    43  
   40    41    47    39    42  
   71    40    44    47    48    49    52    53    54    55    56    57    58    59    60    61    62    63    64    66    67    68    69    70  
   41    44    45    46    47    42    43  
   44    45    46    47    48    49    42    43  
   43    44  
    0  
   45    46    47    48    49    50    51    52  
   46    47    48    49  
   47    48    49  
   48    49    50    51    52    53    54    55    61    68  
   49    50    51    52  
   50    51    52    53    54    55    56  
   51    52    53    54    55  
   52    53    54    55  
   53    54    55    56    57    58    59    61    68  
   54    55    56  
   55    56  
   56    57    58    59    60    61    62    66    68    69    70  
   57    58    59    60    61    62    68  
   58    59    60    61  
   59    60    61  
   60    61    62    63    64    68  
   61    62  
   62    63    64    65    66    68    69    70  
   63    64    65    66    67    68    71  
   64    65    66  
   65    66    67    68    69    70    71    72  
   66    67    68    71  
   67    68    69    70    71    72    73    74    75  
   68    69    70    71    72  
   69    70    71    72  
   70    71  
   71  
   72    73    74    75  
   73    74    75  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   56   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   72   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   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   317.000  1.510
   33    47   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    40   549.000  1.340
   40    41   440.000  1.360
   40    42   510.000  1.338
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   382.000  1.448
   55    56   382.000  1.448
   55    39   382.000  1.448
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   317.000  1.510
   59    60   340.000  1.080
   59    61   549.000  1.340
   61    62   380.000  1.444
   61    39   317.000  1.510
   62    63   340.000  1.080
   62    64   549.000  1.340
   64    65   340.000  1.080
   64    66   317.000  1.510
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    71   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    39   268.000  1.529
   71    72   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   42    43   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  112.20000
   29    33    47    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    47    44    58.35000  112.70000
   33    47    48    37.50000  110.70000
   33    47    49    58.35000  112.70000
   33    39    55    56.20000  109.47000
   33    39    61    70.00000  112.02700
   33    39    68    58.35000  112.70000
   37    40    41    80.00000  120.01400
   37    40    42    80.00000  121.38400
   40    37    38    35.00000  120.00000
   40    41    44    90.00000  111.18400
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    46    35.00000  109.50000
   41    44    47    50.00000  109.50000
   44    47    48    37.50000  110.70000
   44    47    49    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    33    37    70.00000  112.02700
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    52    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    56.20000  109.47000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    55    56    51.80000  107.20000
   52    55    39    51.80000  107.20000
   54    52    53    33.00000  107.80000
   55    52    53    35.00000  109.50000
   55    52    54    35.00000  109.50000
   55    56    57    35.00000  109.50000
   55    56    58    35.00000  109.50000
   55    56    59    75.00000  110.70900
   55    39    61    75.00000  110.70900
   55    39    68    56.20000  109.47000
   56    59    60    35.00000  117.00000
   56    59    61    70.00000  124.00000
   58    56    57    33.00000  107.80000
   59    56    57    35.00000  109.50000
   59    56    58    35.00000  109.50000
   59    61    62    70.00000  123.01800
   59    61    39    70.00000  124.00000
   61    59    60    35.00000  120.00000
   61    62    63    35.00000  120.00000
   61    62    64    70.00000  123.01800
   61    39    68    70.00000  112.02700
   62    64    65    35.00000  120.00000
   62    64    66    70.00000  124.00000
   64    62    63    35.00000  120.00000
   64    66    67    35.00000  109.50000
   64    66    68    70.00000  112.02700
   64    66    71    85.00000  110.90400
   66    64    65    35.00000  117.00000
   66    68    69    37.50000  110.70000
   66    68    70    37.50000  110.70000
   66    68    39    58.35000  112.70000
   66    71    72    60.00000  109.50000
   68    66    67    37.50000  110.70000
   70    68    69    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    47    58.35000  112.70000
   39    55    56    51.80000  107.20000
   39    61    62    70.00000  124.00000
   39    68    69    37.50000  110.70000
   39    68    70    37.50000  110.70000
   71    66    67    35.00000  109.50000
   71    66    68    50.00000  109.50000
   71    72    73    35.00000  109.50000
   71    72    74    35.00000  109.50000
   71    72    75    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   42    40    41   115.00000  116.36000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    47    44   0.44750  1.0 1.0
   29    33    47    44  -0.17800 -1.0 2.0
   29    33    47    44   0.20200  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    49   0.44750  1.0 1.0
   29    33    47    49  -0.17800 -1.0 2.0
   29    33    47    49   0.20200  1.0 3.0
   29    33    39    55   0.56750  1.0 1.0
   29    33    39    55  -0.07550 -1.0 2.0
   29    33    39    55   0.20000  1.0 3.0
   29    33    39    61   0.56750  1.0 1.0
   29    33    39    61  -0.07550 -1.0 2.0
   29    33    39    61   0.20000  1.0 3.0
   29    33    39    68   0.44750  1.0 1.0
   29    33    39    68  -0.17800 -1.0 2.0
   29    33    39    68   0.20200  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    42   7.00000 -1.0 2.0
   33    47    49    50   0.15000  1.0 3.0
   33    47    49    51   0.15000  1.0 3.0
   33    47    49    52   0.56750  1.0 1.0
   33    47    49    52  -0.07550 -1.0 2.0
   33    47    49    52   0.20000  1.0 3.0
   37    33    47    44   0.34400  1.0 1.0
   37    33    47    44   0.09450 -1.0 2.0
   37    33    47    44   0.11100  1.0 3.0
   37    33    47    48   0.15000  1.0 3.0
   37    33    47    49   0.34400  1.0 1.0
   37    33    47    49   0.09450 -1.0 2.0
   37    33    47    49   0.11100  1.0 3.0
   37    33    39    55   0.59950  1.0 1.0
   37    33    39    55  -0.21400 -1.0 2.0
   37    33    39    55   0.56200  1.0 3.0
   37    33    39    61   0.31000  1.0 1.0
   37    33    39    61   0.14700 -1.0 2.0
   37    33    39    61   0.07550  1.0 3.0
   37    33    39    68   0.34400  1.0 1.0
   37    33    39    68   0.09450 -1.0 2.0
   37    33    39    68   0.11100  1.0 3.0
   37    40   -41    44  -2.26850  1.0 1.0
   37    40   -41    44   3.39050 -1.0 2.0
   37    40    42    43  -0.66100  1.0 1.0
   37    40    42    43   1.20850 -1.0 2.0
   37    40    42    43  -0.36000  1.0 3.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    42   7.00000 -1.0 2.0
   40    41    44    45   0.08050  1.0 3.0
   40    41    44    46   0.08050  1.0 3.0
   40    41    44    47  -0.46850  1.0 1.0
   40    41    44    47   0.09300 -1.0 2.0
   40    41    44    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   41    44   -47    33   0.62750  1.0 1.0
   41    44   -47    33  -0.30950 -1.0 2.0
   41    44   -47    33   0.27300  1.0 3.0
   41    44    47    48   0.23400  1.0 3.0
   41    44    47    49   0.62750  1.0 1.0
   41    44    47    49  -0.30950 -1.0 2.0
   41    44    47    49   0.27300  1.0 3.0
   44    47    49    50   0.15000  1.0 3.0
   44    47    49    51   0.15000  1.0 3.0
   44    47    49    52   0.56750  1.0 1.0
   44    47    49    52  -0.07550 -1.0 2.0
   44    47    49    52   0.20000  1.0 3.0
   45    44    47    33   0.15000  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   46    44    47    33   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49   0.15000  1.0 3.0
   47    33    37    38   0.00000  1.0 1.0
   47    33   -37    40   0.09850  1.0 1.0
   47    33   -37    40   0.15250 -1.0 2.0
   47    33   -37    40  -0.50650  1.0 3.0
   47    33    39    55   1.53400  1.0 1.0
   47    33    39    55  -0.09950 -1.0 2.0
   47    33    39    55   0.05700  1.0 3.0
   47    33    39    61   0.34400  1.0 1.0
   47    33    39    61   0.09450 -1.0 2.0
   47    33    39    61   0.11100  1.0 3.0
   47    33    39    68   0.56750  1.0 1.0
   47    33    39    68  -0.07550 -1.0 2.0
   47    33    39    68   0.20000  1.0 3.0
   47    49    52    53   0.15000  1.0 3.0
   47    49    52    54   0.15000  1.0 3.0
   47    49   -52    55   1.53400  1.0 1.0
   47    49   -52    55  -0.09950 -1.0 2.0
   47    49   -52    55   0.05700  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    52   0.15000  1.0 3.0
   49    52    55    56   0.23450  1.0 1.0
   49    52    55    56   0.02050 -1.0 2.0
   49    52    55    56   0.25250  1.0 3.0
   49    52    55    39   0.23450  1.0 1.0
   49    52    55    39   0.02050 -1.0 2.0
   49    52    55    39   0.25250  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    55   0.15000  1.0 3.0
   52    55    56    57   0.28000  1.0 3.0
   52    55    56    58   0.28000  1.0 3.0
   52    55    56    59  -0.60800  1.0 1.0
   52    55    56    59   1.10050 -1.0 2.0
   52    55    56    59   0.47000  1.0 3.0
   52    55   -39    33   0.23450  1.0 1.0
   52    55   -39    33   0.02050 -1.0 2.0
   52    55   -39    33   0.25250  1.0 3.0
   52    55    39    61  -0.60800  1.0 1.0
   52    55    39    61   1.10050 -1.0 2.0
   52    55    39    61   0.47000  1.0 3.0
   52    55    39    68   0.23450  1.0 1.0
   52    55    39    68   0.02050 -1.0 2.0
   52    55    39    68   0.25250  1.0 3.0
   53    52    55    56   0.28000  1.0 3.0
   53    52    55    39   0.28000  1.0 3.0
   54    52    55    56   0.28000  1.0 3.0
   54    52    55    39   0.28000  1.0 3.0
   55    56    59    60   0.00000  1.0 1.0
   55    56   -59    61   0.90200  1.0 1.0
   55    56   -59    61   0.57900 -1.0 2.0
   55    56   -59    61  -0.62100  1.0 3.0
   56    55    39    33   0.23450  1.0 1.0
   56    55    39    33   0.02050 -1.0 2.0
   56    55    39    33   0.25250  1.0 3.0
   56    55   -39    61  -0.60800  1.0 1.0
   56    55   -39    61   1.10050 -1.0 2.0
   56    55   -39    61   0.47000  1.0 3.0
   56    55    39    68   0.23450  1.0 1.0
   56    55    39    68   0.02050 -1.0 2.0
   56    55    39    68   0.25250  1.0 3.0
   56    59    61    62   7.00000 -1.0 2.0
   56    59   -61    39   7.00000 -1.0 2.0
   57    56    59    60   0.33100  1.0 3.0
   57    56    59    61   0.00000  1.0 1.0
   58    56    59    60   0.33100  1.0 3.0
   58    56    59    61   0.00000  1.0 1.0
   59    61    62    63  -0.18600  1.0 3.0
   59    61    62    64   0.28850  1.0 1.0
   59    61    62    64   2.61350 -1.0 2.0
   59    61    62    64   0.78400  1.0 3.0
   59    61    39    33   0.09850  1.0 1.0
   59    61    39    33   0.15250 -1.0 2.0
   59    61    39    33  -0.50650  1.0 3.0
   59    61   -39    55   0.90200  1.0 1.0
   59    61   -39    55   0.57900 -1.0 2.0
   59    61   -39    55  -0.62100  1.0 3.0
   59    61    39    68   0.09850  1.0 1.0
   59    61    39    68   0.15250 -1.0 2.0
   59    61    39    68  -0.50650  1.0 3.0
   60    59    61    62   7.00000 -1.0 2.0
   60    59    61    39   7.00000 -1.0 2.0
   61    62    64    65   7.00000 -1.0 2.0
   61    62    64    66   7.00000 -1.0 2.0
   62    61    39    33   0.98200  1.0 1.0
   62    61    39    33  -0.11900 -1.0 2.0
   62    61    39    33   0.24250  1.0 3.0
   62    61    39    55   0.90200  1.0 1.0
   62    61    39    55   0.57900 -1.0 2.0
   62    61    39    55  -0.62100  1.0 3.0
   62    61    39    68   0.98200  1.0 1.0
   62    61    39    68  -0.11900 -1.0 2.0
   62    61    39    68   0.24250  1.0 3.0
   62    64    66    67   0.00000  1.0 1.0
   62    64   -66    68   0.09850  1.0 1.0
   62    64   -66    68   0.15250 -1.0 2.0
   62    64   -66    68  -0.50650  1.0 3.0
   62    64    66    71   0.39000  1.0 1.0
   62    64    66    71  -0.05800 -1.0 2.0
   62    64    66    71  -0.55150  1.0 3.0
   63    62    64    65   7.00000 -1.0 2.0
   63    62    64    66   7.00000 -1.0 2.0
   64    66    68    69   0.15000  1.0 3.0
   64    66    68    70   0.15000  1.0 3.0
   64    66    68    39   0.34400  1.0 1.0
   64    66    68    39   0.09450 -1.0 2.0
   64    66    68    39   0.11100  1.0 3.0
   64    66    71    72  -0.77900  1.0 1.0
   64    66    71    72  -0.36900 -1.0 2.0
   64    66    71    72   0.40400  1.0 3.0
   65    64    66    67   0.33100  1.0 3.0
   65    64    66    68   0.00000  1.0 1.0
   65    64    66    71   0.00000  1.0 1.0
   66    68    39    33   0.56750  1.0 1.0
   66    68    39    33  -0.07550 -1.0 2.0
   66    68    39    33   0.20000  1.0 3.0
   66    68    39    55   1.53400  1.0 1.0
   66    68    39    55  -0.09950 -1.0 2.0
   66    68    39    55   0.05700  1.0 3.0
   66    68   -39    61   0.34400  1.0 1.0
   66    68   -39    61   0.09450 -1.0 2.0
   66    68   -39    61   0.11100  1.0 3.0
   66    71    72    73   0.37050  1.0 3.0
   66    71    72    74   0.37050  1.0 3.0
   66    71    72    75   0.37050  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    39   0.15000  1.0 3.0
   67    66    71    72   0.37050  1.0 3.0
   68    66    71    72   0.06250  1.0 1.0
   68    66    71    72  -0.01100 -1.0 2.0
   68    66    71    72   0.28050  1.0 3.0
   69    68    39    33   0.15000  1.0 3.0
   69    68    39    55   0.15000  1.0 3.0
   69    68    39    61   0.15000  1.0 3.0
   70    68    39    33   0.15000  1.0 3.0
   70    68    39    55   0.15000  1.0 3.0
   70    68    39    61   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40   0.09850  1.0 1.0
   39    33    37    40   0.15250 -1.0 2.0
   39    33    37    40  -0.50650  1.0 3.0
   39    33    47    44   0.56750  1.0 1.0
   39    33    47    44  -0.07550 -1.0 2.0
   39    33    47    44   0.20000  1.0 3.0
   39    33    47    48   0.15000  1.0 3.0
   39    33   -47    49   0.56750  1.0 1.0
   39    33   -47    49  -0.07550 -1.0 2.0
   39    33   -47    49   0.20000  1.0 3.0
   39    55    56    57   0.28000  1.0 3.0
   39    55    56    58   0.28000  1.0 3.0
   39    55   -56    59  -0.60800  1.0 1.0
   39    55   -56    59   1.10050 -1.0 2.0
   39    55   -56    59   0.47000  1.0 3.0
   39    61    62    63   0.00000  1.0 1.0
   39    61   -62    64  -0.18600  1.0 3.0
   71    66    68    69   0.23400  1.0 3.0
   71    66    68    70   0.23400  1.0 3.0
   71    66    68    39   0.62750  1.0 1.0
   71    66    68    39  -0.30950 -1.0 2.0
   71    66    68    39   0.27300  1.0 3.0
   42    40    41    44   2.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    40   1.10000 -1.0 2.0
   41    42    40    37   1.10000 -1.0 2.0
   56    60    59    61   1.10000 -1.0 2.0
   62    39    61    59   1.10000 -1.0 2.0
   61    63    62    64   1.10000 -1.0 2.0
   66    65    64    62   1.10000 -1.0 2.0
END
