* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    144    221     416
    1     0 S   NP   _N1_     1    28.86623    94.82414   -21.34749
    2     1 S   H    _HN1     2     1.02780    94.06128   -84.68407
    3     1 S   H    _H1_     3     1.02953    84.03026    23.36699
    4     1 S   H    _H2_     4     1.02830    32.96087   158.14852
    5     1 S   CT   _CA1     5     1.50113   142.62946   139.50321
    6     5 S   HC   _HA1     6     1.09578   105.20643    69.89068
    7     5 S   CO3  _C1_     7     1.53735   112.36376   -50.28757
    8     7 S   O2Z  _O11     8     1.26362   114.99488   -44.60857
    9     7 S   O2Z  _O12     9     1.26237   114.91273   134.51821
   10     5 S   CT   _CB1    10     1.53078   107.41235  -172.23241
   11    10 S   HC   HB11    11     1.09829   109.24978   -50.67326
   12    10 S   HC   HB12    12     1.09818   110.49986    65.89168
   13    10 S   CT   _CG1    13     1.52985   112.65727  -171.74141
   14    13 S   HC   HG11    14     1.09592   110.49970   -65.97241
   15    13 S   HC   HG12    15     1.09665   109.92716    53.25468
   16    13 S   C    _CD1    16     1.51827   112.27953   173.54594
   17    16 S   O    _OE1    17     1.22726   123.31416     1.59262
   18    16 S   N    _N2_    18     1.38596   111.60618  -178.35064
   19    18 S   H    _HN2    19     1.01605   118.91935     0.88404
   20    18 S   CT1  _CA2    20     1.46298   123.47741   178.82964
   21    20 S   HC   _HA2    21     1.09735   109.43540    -8.06769
   22    20 S   C    _C2_    22     1.53401   108.28915  -123.56272
   23    22 S   O    _O2_    23     1.23028   122.40344  -147.45609
   24    20 S   CT   _CB2    32     1.53338   111.25528   114.15126
   25    24 S   HC   HB21    33     1.09385   109.34273    54.48804
   26    24 S   HC   HB22    34     1.09497   110.81045   173.21921
   27    22 S   N    _N3_    24     1.38374   113.45994    40.04992
   28    27 S   H    _HN3    25     1.01640   119.50258    -3.62833
   29    24 S   S    _SG2    35     1.82708   111.16164   -67.38553
   30    27 S   CT   _CA3    26     1.45285   123.12893   176.96172
   31    30 S   HC   HA31    27     1.09553   107.54874   -63.34569
   32    30 S   HC   HA32    28     1.09559   107.91962    53.05608
   33    29 S   CT   _C18    36     1.82519   100.24312   162.97153
   34    33 S   HC   _H3_    37     1.09632   108.26193    51.37148
   35    33 S   HC   _H4_    38     1.09560   107.96267   165.17875
   36    30 S   CO3  _C3_    29     1.52935   114.14025   175.03923
   37    36 S   O2Z  _O31    30     1.26367   116.06544    -0.23490
   38    36 S   O2Z  _O32    31     1.26431   114.40810   179.80719
   39    33 S   CT   _C11    39     1.52673   113.79688   -71.63291
   40    39 S   HC   _H29    40     1.09835   108.80926    69.20931
   41    39 S   CO4  _C6_    41     1.50514   112.50880  -175.31257
   42    41 S   O    _O16    42     1.22059   126.40076   -28.72822
   43    41 S   OS   _O17    43     1.36581   109.18651   154.22725
   44    43 S   CT   _C13    44     1.44417   110.54512    -4.93205
   45    44 S   HC   _H31    45     1.08744   104.74154  -135.92817
   46    39 S   CT   _C12    46     1.53501   119.22325   -55.86838
   47    46 S   HC   _H30    47     1.09578   108.80288    83.17154
   48    44 S   C3T  _C14    64     1.50571   109.38172   106.08254
   49    48 S   HC   _H32    65     1.08312   113.14117   -25.92684
   50    46 S   CT   _C10    48     1.55679   115.84114   -38.51864
   51    50 S   HC   _H27    49     1.09310   110.77013    38.47541
   52    50 S   HC   _H28    50     1.09723   110.34335   -78.40973
   53    70 S   O3T  _O18    66     1.43034   115.96866    22.45151
   54    50 S   CT   _C8_    51     1.54873   113.88124   157.48559
   55    54 S   HC   _H23    52     1.09840   108.54322   -63.96553
   56    54 S   HC   _H24    53     1.09716   109.20060  -178.38735
   57    54 S   CM   _C5_    54     1.51155   113.74868    59.15011
   58    57 S   CM   _C4_    55     1.34663   119.07584   -93.22249
   59    58 S   HC   _H20    56     1.08919   118.06560    -5.87763
   60    57 S   CT   _C16    71     1.50228   115.89500    82.43910
   61    60 S   HC   _H33    72     1.09429   110.74467   -58.35628
   62    60 S   HC   _H34    73     1.09314   112.95494  -179.22722
   63    60 S   HC   _H35    74     1.09511   109.88179    61.17830
   64    58 S   CT   _C7_    57     1.50057   127.39352   165.13664
   65    64 S   HC   _H21    58     1.09613   109.75825    52.53960
   66    64 S   HC   _H22    59     1.09696   108.55039   167.99249
   67    64 S   CT   _C9_    60     1.53914   113.21969   -70.42549
   68    67 S   HC   _H25    61     1.09520   110.69433    60.61319
   69    67 S   HC   _H26    62     1.09844   106.65016   173.49513
   70    67 S   C3T  _C15    63     1.52053   116.67402   -65.75988
   71    70 S   CT   _C17    67     1.49974   115.95448  -113.33513
   72    71 S   HC   _H36    68     1.09530   111.93022   176.73739
   73    71 S   HC   _H37    69     1.09489   110.46556    56.60129
   74    71 S   HC   _H38    70     1.09464   110.22289   -63.22470
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  13   7  12   5  12
   4   8   5   4   9  10   4   3  10  12   5   4   2   1   1   7
   5   4   7   3   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    46    47    50  
   35    39    40    41    46  
   39    40    41    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    50    51    52    54    48  
   41    42    43    44    46    47    50  
   42    43    44    45    46    47    50    48  
   43    44    46  
   44    45    46    47    50    70    48    49    53  
   45    46    47    50    51    52    54    67    70    48    49    53    71  
   46    47    50    70    48    49    53  
   47    50    51    52    54    55    56    57    70    48    49    53  
   50    51    52    54    48  
   49    53    71    72    73    74    50    64    67    68    69    70  
   53    71    67    70  
   51    52    54    55    56    57    58    60  
   52    54    55    56    57  
   54    55    56    57  
   71    72    73    74    64    67    68    69    70  
   55    56    57    58    59    64    60    61    62    63  
   56    57    58    60  
   57    58    60  
   58    59    64    65    66    67    60    61    62    63  
   59    64    65    66    67    68    69    70    60    61    62    63  
   64    65    66    67    60  
   61    62    63    64  
   62    63  
   63  
    0  
   65    66    67    68    69    70    71  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70    71    72    73    74  
   69    70    71  
   70    71  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.099700   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5000   0.0660  -0.120000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    46   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   275.000  1.510
   46    47   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   317.000  1.510
   57    58   549.000  1.340
   57    60   317.000  1.510
   58    59   340.000  1.080
   58    64   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   275.000  1.510
   70    48   260.000  1.509
   70    53   335.000  1.432
   70    71   275.000  1.510
   48    49   340.000  1.088
   48    53   335.000  1.432
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    46    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    46    44    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    50    58.35000  112.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    48    70    60.00000  120.94000
   44    48    49    40.00000  115.04500
   44    48    53    80.00000  116.47100
   46    39    40    37.50000  110.70000
   46    39    41    63.00000  111.10000
   46    44    45    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    54    58.35000  112.70000
   50    46    47    37.50000  110.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    57    70.00000  112.02700
   52    50    51    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    37.50000  110.70000
   54    57    58    70.00000  124.00000
   54    57    60    65.00000  117.92700
   56    54    55    33.00000  107.80000
   57    54    55    35.00000  109.50000
   57    54    56    35.00000  109.50000
   57    58    59    35.00000  120.00000
   57    58    64    70.00000  124.00000
   57    60    61    35.00000  109.50000
   57    60    62    35.00000  109.50000
   57    60    63    35.00000  109.50000
   58    64    65    35.00000  109.50000
   58    64    66    35.00000  109.50000
   58    64    67    70.00000  112.02700
   64    58    59    35.00000  117.00000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    70.00000  112.37300
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    48    60.00000  120.94000
   67    70    53    80.00000  116.47100
   67    70    71    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    45.00000  109.38400
   70    67    69    45.00000  109.38400
   70    48    49    37.50000  117.20000
   70    48    53    15.00000   60.43100
   70    53    48    15.00000   59.14900
   70    71    72    45.00000  109.38400
   70    71    73    45.00000  109.38400
   70    71    74    45.00000  109.38400
   48    44    45    45.00000  109.38400
   48    44    46    70.00000  112.37300
   53    70    48    15.00000   60.43100
   53    48    49    50.00000  114.27700
   71    70    48    60.00000  120.94000
   71    70    53    80.00000  116.47100
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   60    57    58    70.00000  124.00000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    46    44   0.56750  1.0 1.0
   33    39    46    44  -0.07550 -1.0 2.0
   33    39    46    44   0.20000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    50   0.56750  1.0 1.0
   33    39    46    50  -0.07550 -1.0 2.0
   33    39    46    50   0.20000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    46   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    46   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   39    46    50    51   0.15000  1.0 3.0
   39    46    50    52   0.15000  1.0 3.0
   39    46    50    54   0.56750  1.0 1.0
   39    46    50    54  -0.07550 -1.0 2.0
   39    46    50    54   0.20000  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    46    44   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    50   0.15000  1.0 3.0
   41    39   -46    44  -0.95700  1.0 1.0
   41    39   -46    44  -0.18200 -1.0 2.0
   41    39   -46    44   0.29450  1.0 3.0
   41    39    46    47  -0.11250  1.0 3.0
   41    39    46    50  -0.95700  1.0 1.0
   41    39    46    50  -0.18200 -1.0 2.0
   41    39    46    50   0.29450  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43   -44    46  -0.25900  1.0 1.0
   41    43   -44    46  -0.47000 -1.0 2.0
   41    43   -44    46   0.11750  1.0 3.0
   41    43    44    48  -0.25900  1.0 1.0
   41    43    44    48  -0.47000 -1.0 2.0
   41    43    44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44   -46    39   0.62750  1.0 1.0
   43    44   -46    39  -0.30950 -1.0 2.0
   43    44   -46    39   0.27300  1.0 3.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    50   0.62750  1.0 1.0
   43    44    46    50  -0.30950 -1.0 2.0
   43    44    46    50   0.27300  1.0 3.0
   43    44    48    70  -0.26800  1.0 1.0
   43    44    48    70   0.69150 -1.0 2.0
   43    44    48    70  -0.48750  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   43    44    48    53   1.11900  1.0 1.0
   43    44    48    53  -1.16350 -1.0 2.0
   43    44    48    53  -0.34150  1.0 3.0
   44    46    50    51   0.15000  1.0 3.0
   44    46    50    52   0.15000  1.0 3.0
   44    46    50    54   0.56750  1.0 1.0
   44    46    50    54  -0.07550 -1.0 2.0
   44    46    50    54   0.20000  1.0 3.0
   44    48   -53    70   0.06250  1.0 1.0
   44    48   -53    70  -0.01100 -1.0 2.0
   44    48   -53    70   0.28050  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    48    70   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    53   0.23400  1.0 3.0
   46    39    41    42   0.30150 -1.0 2.0
   46    39   -41    43   0.36750  1.0 3.0
   46    44    48    70   0.07850  1.0 1.0
   46    44    48    70  -0.03950 -1.0 2.0
   46    44    48    70   0.67350  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    53   0.02550  1.0 1.0
   46    44    48    53  -0.02600 -1.0 2.0
   46    44    48    53   1.20400  1.0 3.0
   46    50    54    55   0.15000  1.0 3.0
   46    50    54    56   0.15000  1.0 3.0
   46    50    54    57   0.34400  1.0 1.0
   46    50    54    57   0.09450 -1.0 2.0
   46    50    54    57   0.11100  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    52   0.15000  1.0 3.0
   47    46    50    54   0.15000  1.0 3.0
   50    54    57    58   0.09850  1.0 1.0
   50    54    57    58   0.15250 -1.0 2.0
   50    54    57    58  -0.50650  1.0 3.0
   50    54    57    60   0.46850  1.0 1.0
   50    54    57    60   0.08550 -1.0 2.0
   50    54    57    60   0.09800  1.0 3.0
   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   0.15000  1.0 3.0
   52    50    54    56   0.15000  1.0 3.0
   52    50    54    57   0.15000  1.0 3.0
   54    57    58    59   7.00000 -1.0 2.0
   54    57    58    64   7.00000 -1.0 2.0
   54    57    60    61   0.34800  1.0 3.0
   54    57    60    62   0.34800  1.0 3.0
   54    57    60    63   0.34800  1.0 3.0
   55    54    57    58   0.00000  1.0 1.0
   55    54    57    60   0.34800  1.0 3.0
   56    54    57    58   0.00000  1.0 1.0
   56    54    57    60   0.34800  1.0 3.0
   57    58    64    65   0.00000  1.0 1.0
   57    58    64    66   0.00000  1.0 1.0
   57    58    64    67   0.09850  1.0 1.0
   57    58    64    67   0.15250 -1.0 2.0
   57    58    64    67  -0.50650  1.0 3.0
   58    57    60    61   0.00000  1.0 1.0
   58    57    60    62   0.00000  1.0 1.0
   58    57    60    63   0.00000  1.0 1.0
   58    64    67    68   0.15000  1.0 3.0
   58    64    67    69   0.15000  1.0 3.0
   58    64    67    70   0.34400  1.0 1.0
   58    64    67    70   0.09450 -1.0 2.0
   58    64    67    70   0.11100  1.0 3.0
   59    58    64    65   0.33100  1.0 3.0
   59    58    64    66   0.33100  1.0 3.0
   59    58    64    67   0.00000  1.0 1.0
   64    67    70    48   0.07850  1.0 1.0
   64    67    70    48  -0.03950 -1.0 2.0
   64    67    70    48   0.67350  1.0 3.0
   64    67    70    53   0.02550  1.0 1.0
   64    67    70    53  -0.02600 -1.0 2.0
   64    67    70    53   1.20400  1.0 3.0
   64    67    70    71   0.56750  1.0 1.0
   64    67    70    71  -0.07550 -1.0 2.0
   64    67    70    71   0.20000  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
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    70   0.15000  1.0 3.0
   67    70    48    44   0.56750  1.0 1.0
   67    70    48    44  -0.07550 -1.0 2.0
   67    70    48    44   0.20000  1.0 3.0
   67    70    48    49   0.15000  1.0 3.0
   67    70   -48    53   0.02550  1.0 1.0
   67    70   -48    53  -0.02600 -1.0 2.0
   67    70   -48    53   1.20400  1.0 3.0
   67    70   -53    48   0.06250  1.0 1.0
   67    70   -53    48  -0.01100 -1.0 2.0
   67    70   -53    48   0.28050  1.0 3.0
   67    70    71    72   0.15000  1.0 3.0
   67    70    71    73   0.15000  1.0 3.0
   67    70    71    74   0.15000  1.0 3.0
   68    67    70    48   0.15000  1.0 3.0
   68    67    70    53   0.23400  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   69    67    70    48   0.15000  1.0 3.0
   69    67    70    53   0.23400  1.0 3.0
   69    67    70    71   0.15000  1.0 3.0
   48    44    46    39   0.47050  1.0 1.0
   48    44    46    39   0.03900 -1.0 2.0
   48    44    46    39   0.20100  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.47050  1.0 1.0
   48    44    46    50   0.03900 -1.0 2.0
   48    44    46    50   0.20100  1.0 3.0
   48    70    71    72   0.15000  1.0 3.0
   48    70    71    73   0.15000  1.0 3.0
   48    70    71    74   0.15000  1.0 3.0
   49    48   -53    70   0.36800  1.0 3.0
   53    70   -48    44   0.02550  1.0 1.0
   53    70   -48    44  -0.02600 -1.0 2.0
   53    70   -48    44   1.20400  1.0 3.0
   53    70   -48    49   0.23400  1.0 3.0
   53    70    71    72   0.23400  1.0 3.0
   53    70    71    73   0.23400  1.0 3.0
   53    70    71    74   0.23400  1.0 3.0
   71    70    48    44   0.56750  1.0 1.0
   71    70    48    44  -0.07550 -1.0 2.0
   71    70    48    44   0.20000  1.0 3.0
   71    70    48    49   0.15000  1.0 3.0
   71    70   -48    53   0.02550  1.0 1.0
   71    70   -48    53  -0.02600 -1.0 2.0
   71    70   -48    53   1.20400  1.0 3.0
   71    70   -53    48   0.06250  1.0 1.0
   71    70   -53    48  -0.01100 -1.0 2.0
   71    70   -53    48   0.28050  1.0 3.0
   60    57    58    59   7.00000 -1.0 2.0
   60    57    58    64   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   54    60    57    58   1.10000 -1.0 2.0
   64    59    58    57   1.10000 -1.0 2.0
END
