* LIGAND DATABASE FILE (OPLS2005)
*
001      73    77    147    234     417
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02068    90.49479   -68.29599
    3     1 S   H    _H1_     3     1.02083    90.04701    40.38246
    4     1 S   H    _H2_     4     1.02133    32.83069   166.53722
    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   110.48971    58.89540
   26    24 S   HC   HB22    34     1.08603   109.84388   178.97283
   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   _C16    36     1.79486    99.00632  -178.18749
   34    33 S   HC   _H10    37     1.10048   104.75142    41.87448
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   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   _C13    38     1.49403   118.33161   160.00459
   39    38 S   CM   _C14    39     1.33885   105.87074   157.31536
   40    38 S   C3T  _C12    60     1.45187   126.69545   -29.52482
   41    40 S   HC   _H8_    61     1.08679   111.39338  -105.60359
   42    39 S   OS   _O35    40     1.39135   115.50288    -9.74586
   43    71 S   O3T  _O34    62     1.44592   110.28107   104.92311
   44    39 S   OH   _O36    72     1.37016   124.05959   173.00973
   45    44 S   HO   _H16    73     0.96615   110.38420   179.97202
   46    33 S   CT   _C15    41     1.54330   118.91359   -79.02448
   47    46 S   HC   _H9_    42     1.09762   108.61701    83.56142
   48    46 S   CT   _C6_    43     1.55578   121.87610   -43.91126
   49    48 S   HC   _H4_    44     1.10102   107.66729  -149.14915
   50    48 S   CT   _C5_    45     1.53237   113.65911    91.95140
   51    50 S   HC   _H3_    46     1.09347   111.90750   -46.70104
   52    50 S   CO4  _C18    47     1.50901   101.92668  -161.52219
   53    52 S   O    _O38    48     1.22116   126.07010  -161.78931
   54    50 S   CT   _C4_    68     1.52113   113.25000    78.60696
   55    54 S   HC   _H11    69     1.09106   110.11490    53.80349
   56    54 S   HC   _H12    70     1.09009   110.11986   -66.20298
   57    54 S   HC   _H13    71     1.09070   110.14491   173.72743
   58    52 S   OS   _O37    49     1.36635   109.65433    19.20921
   59    48 S   CT   _C7_    50     1.53007   119.02925   -27.19299
   60    59 S   HC   _H5_    51     1.08893   112.55070    47.84375
   61    59 S   CT   _C8_    52     1.52969   116.43201   -80.11883
   62    61 S   HC   _H14    53     1.09814   109.95841   -85.67875
   63    61 S   HC   _H15    54     1.08577   112.87436    31.72737
   64    61 S   C3T  _C9_    55     1.49337   109.97951   154.36316
   65    64 S   C3T  _C10    56     1.51376   126.63018   -83.06599
   66    65 S   HC   _H6_    57     1.09291   112.67833   153.98950
   67    64 S   CT   _C17    64     1.49757   114.30875    76.44456
   68    67 S   HC   _H17    65     1.09923   111.29338  -179.96574
   69    67 S   HC   _H18    66     1.09905   111.30888    59.96211
   70    67 S   HC   _H19    67     1.09986   111.24694   -60.05917
   71    65 S   C3T  _C11    58     1.51405   135.32935    -9.72243
   72    71 S   HC   _H7_    59     1.09156   111.48965  -125.17635
   73    64 S   O3T  _O33    63     1.42293   115.16419  -151.96870
  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  13  10  11   4   8   6   2   1  11   4  16
   8  11   8   9   3   5   2   1   1   6   8   4  11   5   4   9
   8   4   5   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    46    47    48    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    46    47    48    49    50    59    71    40    41    43    44  
   38    39    42    46    47    48    40  
   36    37  
   37  
    0  
   39    42    46    47    48    65    71    72    40    41    43    44    45  
   42    46    47    48    71    40    41    43    44    45  
   41    43    73    44    42    46    64    65    66    71    72  
   43    65    71    72  
   46    47    48    49    50    59    44    45  
   73    64    65    66    71    72  
   45    46  
    0  
   47    48    49    50    51    52    58    59    60    61    54  
   48    49    50    59  
   49    50    51    52    53    58    59    60    61    62    63    64    54    55    56    57  
   50    51    52    58    59    60    61    54  
   51    52    53    58    59    60    61    54    55    56    57  
   52    53    58    59    54    55    56    57  
   53    58    59    60    61    54    55    56    57  
   58    59    54  
   55    56    57    58    59  
   56    57  
   57  
    0  
   59    60    61    62    63    64  
   60    61    62    63    64    65    73    67  
   61    62    63    64  
   62    63    64    65    66    71    73    67    68    69    70  
   63    64    65    73    67  
   64    65    73    67  
   65    66    71    72    73    67    68    69    70  
   66    71    72    73    67    68    69    70  
   71    72    73    67  
   68    69    70    71    73  
   69    70    73  
   70    73  
   73  
   72    73  
   73  
    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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   43   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   44   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.9000   0.1400  -0.352400   1.7660   1.5600   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    46   268.000  1.529
   38    39   549.000  1.340
   38    40   305.000  1.480
   39    42   440.000  1.360
   39    44   510.000  1.338
   42    46   320.000  1.410
   46    47   340.000  1.090
   46    48   268.000  1.529
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    59   268.000  1.529
   50    51   340.000  1.090
   50    52   317.000  1.522
   50    54   268.000  1.529
   52    53   570.000  1.229
   52    58   214.000  1.327
   58    59   320.000  1.410
   59    60   340.000  1.090
   59    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   275.000  1.510
   64    65   260.000  1.509
   64    73   335.000  1.432
   64    67   275.000  1.510
   65    66   340.000  1.088
   65    71   260.000  1.509
   65    73   335.000  1.432
   71    72   340.000  1.088
   71    40   260.000  1.509
   71    43   335.000  1.432
   40    41   340.000  1.088
   40    43   335.000  1.432
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   44    45   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    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    46    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    40    65.00000  117.92700
   33    46    42    50.00000  109.50000
   33    46    47    37.50000  110.70000
   33    46    48    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    42    80.00000  120.01400
   38    39    44    80.00000  121.38400
   38    40    71    60.00000  120.58800
   38    40    41    40.00000  112.45000
   38    40    43    85.00000  114.23300
   39    42    46    90.00000  111.18400
   39    44    45    70.00000  107.45700
   42    46    47    35.00000  109.50000
   42    46    48    50.00000  109.50000
   46    33    34    37.50000  110.70000
   46    33    38    70.00000  112.02700
   46    48    49    37.50000  110.70000
   46    48    50    58.35000  112.70000
   46    48    59    58.35000  112.70000
   48    46    47    37.50000  110.70000
   48    50    51    37.50000  110.70000
   48    50    52    63.00000  111.10000
   48    50    54    58.35000  112.70000
   48    59    58    50.00000  109.50000
   48    59    60    37.50000  110.70000
   48    59    61    58.35000  112.70000
   50    48    49    37.50000  110.70000
   50    52    53    80.00000  120.40000
   50    52    58    81.00000  111.40000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    57    37.50000  110.70000
   52    50    51    35.00000  109.50000
   52    58    59    83.00000  116.90000
   58    52    53    83.00000  123.40000
   58    59    60    35.00000  109.50000
   58    59    61    50.00000  109.50000
   59    48    49    37.50000  110.70000
   59    48    50    58.35000  112.70000
   59    61    62    37.50000  110.70000
   59    61    63    37.50000  110.70000
   59    61    64    70.00000  112.37300
   61    59    60    37.50000  110.70000
   61    64    65    60.00000  120.94000
   61    64    73    80.00000  116.47100
   61    64    67    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    45.00000  109.38400
   64    61    63    45.00000  109.38400
   64    65    66    37.50000  117.20000
   64    65    71    60.00000  120.94000
   64    65    73    15.00000   60.43100
   64    73    65    15.00000   59.14900
   64    67    68    45.00000  109.38400
   64    67    69    45.00000  109.38400
   64    67    70    45.00000  109.38400
   65    71    72    37.50000  117.20000
   65    71    40    60.00000  120.94000
   65    71    43    80.00000  116.47100
   71    65    66    37.50000  117.20000
   71    40    41    37.50000  117.20000
   71    40    43    15.00000   60.43100
   71    43    40    15.00000   59.14900
   40    38    39    55.00000  125.06700
   40    71    72    37.50000  117.20000
   43    71    72    50.00000  114.27700
   43    71    40    15.00000   60.43100
   43    40    41    50.00000  114.27700
   73    64    65    15.00000   60.43100
   73    65    66    50.00000  114.27700
   73    65    71    80.00000  116.47100
   67    64    65    60.00000  120.94000
   67    64    73    80.00000  116.47100
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    63.00000  111.10000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   44    39    42   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    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    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   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    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    40   0.30250  1.0 1.0
   29    33    38    40  -0.14950 -1.0 2.0
   29    33    38    40   0.36900  1.0 3.0
   29    33    46    42   0.56750  1.0 1.0
   29    33    46    42  -0.07550 -1.0 2.0
   29    33    46    42   0.20000  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    48   0.44750  1.0 1.0
   29    33    46    48  -0.17800 -1.0 2.0
   29    33    46    48   0.20200  1.0 3.0
   33    38   -39    42   7.00000 -1.0 2.0
   33    38    39    44   7.00000 -1.0 2.0
   33    38    40    71   0.46850  1.0 1.0
   33    38    40    71   0.08550 -1.0 2.0
   33    38    40    71   0.09800  1.0 3.0
   33    38    40    41   0.34800  1.0 3.0
   33    38    40    43   0.09700  1.0 1.0
   33    38    40    43   0.15600 -1.0 2.0
   33    38    40    43  -0.50800  1.0 3.0
   33    46    48    49   0.15000  1.0 3.0
   33    46    48    50   0.56750  1.0 1.0
   33    46    48    50  -0.07550 -1.0 2.0
   33    46    48    50   0.20000  1.0 3.0
   33    46    48    59   0.56750  1.0 1.0
   33    46    48    59  -0.07550 -1.0 2.0
   33    46    48    59   0.20000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.34800  1.0 3.0
   34    33    46    42   0.23400  1.0 3.0
   34    33    46    47   0.15000  1.0 3.0
   34    33    46    48   0.15000  1.0 3.0
   38    33   -46    42   0.61850  1.0 1.0
   38    33   -46    42  -0.22750 -1.0 2.0
   38    33   -46    42   0.15300  1.0 3.0
   38    33    46    47   0.15000  1.0 3.0
   38    33    46    48   0.34400  1.0 1.0
   38    33    46    48   0.09450 -1.0 2.0
   38    33    46    48   0.11100  1.0 3.0
   38    39   -42    46  -2.26850  1.0 1.0
   38    39   -42    46   3.39050 -1.0 2.0
   38    39    44    45  -0.66100  1.0 1.0
   38    39    44    45   1.20850 -1.0 2.0
   38    39    44    45  -0.36000  1.0 3.0
   38    40   -43    71  -0.77900  1.0 1.0
   38    40   -43    71  -0.36900 -1.0 2.0
   38    40   -43    71   0.40400  1.0 3.0
   39    38    40    71   0.09850  1.0 1.0
   39    38    40    71   0.15250 -1.0 2.0
   39    38    40    71  -0.50650  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    43   0.39000  1.0 1.0
   39    38    40    43  -0.05800 -1.0 2.0
   39    38    40    43  -0.55150  1.0 3.0
   39    42   -46    33  -0.46850  1.0 1.0
   39    42   -46    33   0.09300 -1.0 2.0
   39    42   -46    33  -0.12850  1.0 3.0
   39    42    46    47   0.08050  1.0 3.0
   39    42    46    48  -0.46850  1.0 1.0
   39    42    46    48   0.09300 -1.0 2.0
   39    42    46    48  -0.12850  1.0 3.0
   42    39    44    45   2.00000 -1.0 2.0
   42    46    48    49   0.23400  1.0 3.0
   42    46    48    50   0.62750  1.0 1.0
   42    46    48    50  -0.30950 -1.0 2.0
   42    46    48    50   0.27300  1.0 3.0
   42    46    48    59   0.62750  1.0 1.0
   42    46    48    59  -0.30950 -1.0 2.0
   42    46    48    59   0.27300  1.0 3.0
   46    33   -38    39   0.09850  1.0 1.0
   46    33   -38    39   0.15250 -1.0 2.0
   46    33   -38    39  -0.50650  1.0 3.0
   46    33    38    40   0.46850  1.0 1.0
   46    33    38    40   0.08550 -1.0 2.0
   46    33    38    40   0.09800  1.0 3.0
   46    48    50    51   0.15000  1.0 3.0
   46    48    50    52  -0.95700  1.0 1.0
   46    48    50    52  -0.18200 -1.0 2.0
   46    48    50    52   0.29450  1.0 3.0
   46    48    50    54   0.56750  1.0 1.0
   46    48    50    54  -0.07550 -1.0 2.0
   46    48    50    54   0.20000  1.0 3.0
   46    48    59    58   0.62750  1.0 1.0
   46    48    59    58  -0.30950 -1.0 2.0
   46    48    59    58   0.27300  1.0 3.0
   46    48    59    60   0.15000  1.0 3.0
   46    48    59    61   0.56750  1.0 1.0
   46    48    59    61  -0.07550 -1.0 2.0
   46    48    59    61   0.20000  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    59   0.15000  1.0 3.0
   48    50    52    53   0.30150 -1.0 2.0
   48    50   -52    58   0.36750  1.0 3.0
   48    50    54    55   0.15000  1.0 3.0
   48    50    54    56   0.15000  1.0 3.0
   48    50    54    57   0.15000  1.0 3.0
   48    59    61    62   0.15000  1.0 3.0
   48    59    61    63   0.15000  1.0 3.0
   48    59    61    64   0.47050  1.0 1.0
   48    59    61    64   0.03900 -1.0 2.0
   48    59    61    64   0.20100  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52  -0.11250  1.0 3.0
   49    48    50    54   0.15000  1.0 3.0
   49    48    59    58   0.23400  1.0 3.0
   49    48    59    60   0.15000  1.0 3.0
   49    48    59    61   0.15000  1.0 3.0
   50    48   -59    58   0.62750  1.0 1.0
   50    48   -59    58  -0.30950 -1.0 2.0
   50    48   -59    58   0.27300  1.0 3.0
   50    48    59    60   0.15000  1.0 3.0
   50    48    59    61   0.56750  1.0 1.0
   50    48    59    61  -0.07550 -1.0 2.0
   50    48    59    61   0.20000  1.0 3.0
   50    52   -58    59   1.63150  1.0 1.0
   50    52   -58    59   2.92000 -1.0 2.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    58   0.00000  1.0 1.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    57   0.15000  1.0 3.0
   52    50    54    55  -0.11250  1.0 3.0
   52    50    54    56  -0.11250  1.0 3.0
   52    50    54    57  -0.11250  1.0 3.0
   52    58   -59    48  -0.25900  1.0 1.0
   52    58   -59    48  -0.47000 -1.0 2.0
   52    58   -59    48   0.11750  1.0 3.0
   52    58    59    60   0.08050  1.0 3.0
   52    58    59    61  -0.25900  1.0 1.0
   52    58    59    61  -0.47000 -1.0 2.0
   52    58    59    61   0.11750  1.0 3.0
   53    52    58    59   3.00000 -1.0 2.0
   58    59    61    62   0.23400  1.0 3.0
   58    59    61    63   0.23400  1.0 3.0
   58    59    61    64  -0.26800  1.0 1.0
   58    59    61    64   0.69150 -1.0 2.0
   58    59    61    64  -0.48750  1.0 3.0
   59    48    50    51   0.15000  1.0 3.0
   59    48   -50    52  -0.95700  1.0 1.0
   59    48   -50    52  -0.18200 -1.0 2.0
   59    48   -50    52   0.29450  1.0 3.0
   59    48    50    54   0.56750  1.0 1.0
   59    48    50    54  -0.07550 -1.0 2.0
   59    48    50    54   0.20000  1.0 3.0
   59    61    64    65   0.07850  1.0 1.0
   59    61    64    65  -0.03950 -1.0 2.0
   59    61    64    65   0.67350  1.0 3.0
   59    61    64    73   0.02550  1.0 1.0
   59    61    64    73  -0.02600 -1.0 2.0
   59    61    64    73   1.20400  1.0 3.0
   59    61    64    67   0.56750  1.0 1.0
   59    61    64    67  -0.07550 -1.0 2.0
   59    61    64    67   0.20000  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    63   0.15000  1.0 3.0
   60    59    61    64   0.15000  1.0 3.0
   61    64    65    66   0.15000  1.0 3.0
   61    64    65    71   0.07850  1.0 1.0
   61    64    65    71  -0.03950 -1.0 2.0
   61    64    65    71   0.67350  1.0 3.0
   61    64   -65    73   0.02550  1.0 1.0
   61    64   -65    73  -0.02600 -1.0 2.0
   61    64   -65    73   1.20400  1.0 3.0
   61    64   -73    65   0.06250  1.0 1.0
   61    64   -73    65  -0.01100 -1.0 2.0
   61    64   -73    65   0.28050  1.0 3.0
   61    64    67    68   0.15000  1.0 3.0
   61    64    67    69   0.15000  1.0 3.0
   61    64    67    70   0.15000  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    73   0.23400  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    73   0.23400  1.0 3.0
   63    61    64    67   0.15000  1.0 3.0
   64    65    71    72   0.15000  1.0 3.0
   64    65    71    40   0.07850  1.0 1.0
   64    65    71    40  -0.03950 -1.0 2.0
   64    65    71    40   0.67350  1.0 3.0
   64    65    71    43   0.02550  1.0 1.0
   64    65    71    43  -0.02600 -1.0 2.0
   64    65    71    43   1.20400  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   65    71    40    38   0.34400  1.0 1.0
   65    71    40    38   0.09450 -1.0 2.0
   65    71    40    38   0.11100  1.0 3.0
   65    71    40    41   0.15000  1.0 3.0
   65    71   -40    43   0.02550  1.0 1.0
   65    71   -40    43  -0.02600 -1.0 2.0
   65    71   -40    43   1.20400  1.0 3.0
   65    71   -43    40   0.06250  1.0 1.0
   65    71   -43    40  -0.01100 -1.0 2.0
   65    71   -43    40   0.28050  1.0 3.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    40   0.15000  1.0 3.0
   66    65    71    43   0.23400  1.0 3.0
   66    65   -73    64   0.36800  1.0 3.0
   71    65   -73    64   0.06250  1.0 1.0
   71    65   -73    64  -0.01100 -1.0 2.0
   71    65   -73    64   0.28050  1.0 3.0
   72    71    40    38   0.15000  1.0 3.0
   72    71    40    41   0.15000  1.0 3.0
   72    71   -40    43   0.23400  1.0 3.0
   72    71   -43    40   0.36800  1.0 3.0
   40    38    39    42   7.00000 -1.0 2.0
   40    38    39    44   7.00000 -1.0 2.0
   41    40   -43    71   0.36800  1.0 3.0
   43    71   -40    38   0.61850  1.0 1.0
   43    71   -40    38  -0.22750 -1.0 2.0
   43    71   -40    38   0.15300  1.0 3.0
   43    71   -40    41   0.23400  1.0 3.0
   73    64   -65    66   0.23400  1.0 3.0
   73    64   -65    71   0.02550  1.0 1.0
   73    64   -65    71  -0.02600 -1.0 2.0
   73    64   -65    71   1.20400  1.0 3.0
   73    64    67    68   0.23400  1.0 3.0
   73    64    67    69   0.23400  1.0 3.0
   73    64    67    70   0.23400  1.0 3.0
   73    65    71    72   0.23400  1.0 3.0
   73    65    71    40   0.02550  1.0 1.0
   73    65    71    40  -0.02600 -1.0 2.0
   73    65    71    40   1.20400  1.0 3.0
   73    65    71    43   1.11900  1.0 1.0
   73    65    71    43  -1.16350 -1.0 2.0
   73    65    71    43  -0.34150  1.0 3.0
   67    64    65    66   0.15000  1.0 3.0
   67    64    65    71   0.07850  1.0 1.0
   67    64    65    71  -0.03950 -1.0 2.0
   67    64    65    71   0.67350  1.0 3.0
   67    64   -65    73   0.02550  1.0 1.0
   67    64   -65    73  -0.02600 -1.0 2.0
   67    64   -65    73   1.20400  1.0 3.0
   67    64   -73    65   0.06250  1.0 1.0
   67    64   -73    65  -0.01100 -1.0 2.0
   67    64   -73    65   0.28050  1.0 3.0
   54    50    52    53   0.30150 -1.0 2.0
   54    50    52    58   0.36750  1.0 3.0
   44    39    42    46   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
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39   1.10000 -1.0 2.0
   42    44    39    38   1.10000 -1.0 2.0
   50    58    52    53  10.50000 -1.0 2.0
END
