* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    139    216     415
    1     0 S   NP   _N1_     1    28.72709    95.95515   -23.33305
    2     1 S   H    _HN1     2     1.02949    75.89415    10.06763
    3     1 S   H    _H1_     3     1.02828    34.28772   165.04624
    4     1 S   H    _H2_     4     1.02786   105.28519   -95.48609
    5     1 S   CT   _CA1     5     1.50119   136.75261   114.97912
    6     5 S   HC   _HA1     6     1.09573   105.18365    86.77024
    7     5 S   CO3  _C1_     7     1.53781   112.45736   -33.44273
    8     7 S   O2Z  _O11     8     1.26373   115.00329   -42.49199
    9     7 S   O2Z  _O12     9     1.26239   114.94592   136.58514
   10     5 S   CT   _CB1    10     1.53072   107.41277  -155.26018
   11    10 S   HC   HB11    11     1.09835   109.34793   -49.69290
   12    10 S   HC   HB12    12     1.09812   110.45965    66.90886
   13    10 S   CT   _CG1    13     1.52996   112.61898  -170.66525
   14    13 S   HC   HG11    14     1.09579   110.64744   -66.21255
   15    13 S   HC   HG12    15     1.09671   109.76777    53.02304
   16    13 S   C    _CD1    16     1.51807   112.17906   173.46409
   17    16 S   O    _OE1    17     1.22736   123.25604     8.03524
   18    16 S   N    _N2_    18     1.38655   111.69928  -172.02491
   19    18 S   H    _HN2    19     1.01574   118.95123     1.48015
   20    18 S   CT1  _CA2    20     1.46198   123.38166   177.10268
   21    20 S   HC   _HA2    21     1.09744   109.35569     3.69729
   22    20 S   C    _C2_    22     1.53610   108.64896  -111.74325
   23    22 S   O    _O2_    23     1.23069   122.29603  -148.12506
   24    20 S   CT   _CB2    32     1.53411   111.70774   125.69872
   25    24 S   HC   HB21    33     1.09555   109.92534    55.84644
   26    24 S   HC   HB22    34     1.09262   109.64586   174.46356
   27    22 S   N    _N3_    24     1.38335   113.74065    39.28027
   28    27 S   H    _HN3    25     1.01574   119.57517    -3.16063
   29    24 S   S    _SG2    35     1.82941   111.27531   -64.38532
   30    27 S   CT   _CA3    26     1.45285   123.23875   177.19411
   31    30 S   HC   HA31    27     1.09548   107.49163   -65.15179
   32    30 S   HC   HA32    28     1.09557   108.00752    51.29145
   33    29 S   CT   _C9_    36     1.86721   102.11755  -161.72485
   34    30 S   CO3  _C3_    29     1.52968   114.07955   173.31255
   35    34 S   O2Z  _O31    30     1.26378   116.07709    -0.43431
   36    34 S   O2Z  _O32    31     1.26432   114.41158   179.63096
   37    33 S   CT   _C8_    37     1.56604   112.88082    65.43839
   38    37 S   HC   _H11    38     1.09898   108.48142   -82.79562
   39    37 S   HC   _H12    39     1.09828   107.10145   164.87935
   40    33 S   CT   _C10    62     1.58022   109.26400  -169.18692
   41    40 S   HC   _H4_    63     1.09748   107.45667   171.21848
   42    33 S   CT   _C18    72     1.55164   107.95690   -53.54682
   43    42 S   HC   _H20    73     1.09591   112.40508   -53.24080
   44    42 S   HC   _H21    74     1.09685   110.43482  -173.02104
   45    42 S   HC   _H22    75     1.09517   112.40643    68.46082
   46    37 S   CT   _C7_    40     1.54609   117.84903    40.00316
   47    46 S   HC   _H3_    41     1.08590   111.24981    15.18313
   48    40 S   OH   _O35    64     1.43712   108.80992    57.92296
   49    48 S   HO   _H19    65     0.97207   107.90275   171.86144
   50    46 S   CM   _C6_    42     1.50690   111.93440   139.51566
   51    50 S   HC   _H10    43     1.08936   114.91223    63.98622
   52    46 S   OH   _O36    70     1.43029   109.61869  -100.96681
   53    52 S   HO   _H23    71     0.97236   108.31731   -61.64905
   54    50 S   CM   _C5_    44     1.34934   126.89858  -114.12850
   55    54 S   CT   _C14    45     1.51780   124.39634    -2.50960
   56    55 S   HC   _H15    46     1.09846   107.94436  -144.66086
   57    55 S   HC   _H16    47     1.09509   110.17764   -30.91368
   58    54 S   CT   _C4_    66     1.50638   120.14699   178.57770
   59    58 S   HC   _H7_    67     1.09487   110.32497   121.40037
   60    58 S   HC   _H8_    68     1.09525   112.29111     1.59385
   61    58 S   HC   _H9_    69     1.09397   110.60219  -118.40486
   62    55 S   CT   _C13    48     1.53742   115.80972    93.32296
   63    62 S   HC   _H6_    49     1.09973   107.46593  -173.44175
   64    62 S   CT   _C12    50     1.52728   116.33941   -48.56677
   65    64 S   HC   _H5_    51     1.09336   110.39037    44.49312
   66    64 S   CM   _C16    52     1.49622    98.72902   155.04211
   67    64 S   CT   _C11    59     1.53815   113.14544   -80.17417
   68    67 S   HC   _H13    60     1.09870   108.80335   -80.32521
   69    67 S   HC   _H14    61     1.09250   110.57884    33.46693
   70    66 S   CO4  _C15    53     1.48122   108.02198   -26.91969
   71    70 S   O    _O34    54     1.21732   127.13018  -167.08014
   72    66 S   CM   _C17    56     1.33572   130.85350   151.39675
   73    72 S   HC   _H17    57     1.08347   121.54835     1.17253
   74    72 S   HC   _H18    58     1.08559   121.52857  -179.03836
   75    62 S   OS   _O33    55     1.43908   110.02910    71.25224
  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  13   5   4   3
  19   2   1   1  17   7   6  15   7   6   2   1   1   8   5   5
   1  12   4   2   1  11  14   6   5   4   2   1   1  11   6  11
   7   9   5   1   1   5   2   3   1   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    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    46    67    40    41    48    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    46    47    50    64    67    68    69    40    41    48    49    52    42    43    44    45  
   35    36  
   36  
    0  
   38    39    46    47    50    51    54    67    40    41    48    52    53    42    43    44    45  
   39    46    47    50    40    52    42  
   46    47    50    40    52    42  
   41    48    49    42    43    44    45    46    62    64    65    66    67    68    69  
   48    49    42    64    67    68    69  
   43    44    45    46    48    67  
   44    45  
   45  
    0  
   47    50    51    54    55    58    52    53  
   50    51    54    52    53  
   49    64    67    68    69  
   67  
   51    54    55    56    57    62    58    59    60    61    52    53  
   54    55    58    52  
   53    54  
    0  
   55    56    57    62    63    64    75    58    59    60    61  
   56    57    62    63    64    65    66    70    75    67    58    59    60    61  
   57    62    63    64    75    58  
   62    63    64    75    58  
   59    60    61    62  
   60    61  
   61  
    0  
   63    64    65    66    70    71    75    72    67    68    69  
   64    65    66    70    75    67  
   65    66    70    71    75    72    73    74    67    68    69  
   66    70    75    72    67    68    69  
   70    71    75    72    73    74    67    68    69  
   68    69    70    72    75  
   69  
    0  
   71    75    72    73    74  
   75    72  
   73    74    75  
   74  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.0000   0.1700  -0.330000   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    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   268.000  1.529
   33    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    46   268.000  1.529
   46    47   340.000  1.090
   46    50   317.000  1.510
   46    52   320.000  1.410
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    55   317.000  1.510
   54    58   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    62   268.000  1.529
   62    63   340.000  1.090
   62    64   268.000  1.529
   62    75   320.000  1.410
   64    65   340.000  1.090
   64    66   317.000  1.510
   64    67   268.000  1.529
   66    70   320.000  1.462
   66    72   549.000  1.340
   70    71   570.000  1.229
   70    75   214.000  1.327
   72    73   340.000  1.080
   72    74   340.000  1.080
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    40   268.000  1.529
   40    41   340.000  1.090
   40    48   320.000  1.410
   48    49   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   52    53   553.000  0.945
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    40    67    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    48    50.00000  109.50000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    37.50000  110.70000
   37    46    50    70.00000  112.02700
   37    46    52    50.00000  109.50000
   39    37    38    33.00000  107.80000
   46    37    38    37.50000  110.70000
   46    37    39    37.50000  110.70000
   46    50    51    35.00000  117.00000
   46    50    54    70.00000  124.00000
   46    52    53    55.00000  108.50000
   50    46    47    35.00000  109.50000
   50    54    55    70.00000  124.00000
   50    54    58    70.00000  124.00000
   54    50    51    35.00000  120.00000
   54    55    56    35.00000  109.50000
   54    55    57    35.00000  109.50000
   54    55    62    70.00000  112.02700
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    61    35.00000  109.50000
   55    62    63    37.50000  110.70000
   55    62    64    58.35000  112.70000
   55    62    75    50.00000  109.50000
   57    55    56    33.00000  107.80000
   62    55    56    37.50000  110.70000
   62    55    57    37.50000  110.70000
   62    64    65    37.50000  110.70000
   62    64    66    70.00000  112.02700
   62    64    67    58.35000  112.70000
   62    75    70    83.00000  116.90000
   64    62    63    37.50000  110.70000
   64    66    70    65.00000  116.34900
   64    66    72    70.00000  124.00000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    40    58.35000  112.70000
   66    64    65    35.00000  109.50000
   66    70    71    80.00000  123.72100
   66    70    75    90.00000  111.29400
   66    72    73    35.00000  120.00000
   66    72    74    35.00000  120.00000
   75    62    63    35.00000  109.50000
   75    62    64    50.00000  109.50000
   75    70    71    83.00000  123.40000
   72    66    70    65.00000  118.96000
   74    72    73    35.00000  117.00000
   67    64    65    37.50000  110.70000
   67    64    66    70.00000  112.02700
   67    40    41    37.50000  110.70000
   67    40    48    50.00000  109.50000
   69    67    68    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    67    68    37.50000  110.70000
   40    67    69    37.50000  110.70000
   40    48    49    55.00000  108.50000
   48    40    41    35.00000  109.50000
   58    54    55    65.00000  117.92700
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   52    46    47    35.00000  109.50000
   52    46    50    90.00000  110.39200
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    40    67   0.44750  1.0 1.0
   29    33    40    67  -0.17800 -1.0 2.0
   29    33    40    67   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    48   0.56750  1.0 1.0
   29    33    40    48  -0.07550 -1.0 2.0
   29    33    40    48   0.20000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    50   0.34400  1.0 1.0
   33    37    46    50   0.09450 -1.0 2.0
   33    37    46    50   0.11100  1.0 3.0
   33    37    46    52   0.86500  1.0 1.0
   33    37    46    52  -0.17500 -1.0 2.0
   33    37    46    52   0.20800  1.0 3.0
   33    40    48    49  -0.11600  1.0 1.0
   33    40    48    49  -0.09450 -1.0 2.0
   33    40    48    49   0.21250  1.0 3.0
   37    33    40    67   0.56750  1.0 1.0
   37    33    40    67  -0.07550 -1.0 2.0
   37    33    40    67   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    48   0.86500  1.0 1.0
   37    33    40    48  -0.17500 -1.0 2.0
   37    33    40    48   0.20800  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    50    51   0.00000  1.0 1.0
   37    46    50    54   0.09850  1.0 1.0
   37    46    50    54   0.15250 -1.0 2.0
   37    46    50    54  -0.50650  1.0 3.0
   37    46    52    53  -0.11600  1.0 1.0
   37    46    52    53  -0.09450 -1.0 2.0
   37    46    52    53   0.21250  1.0 3.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    50   0.15000  1.0 3.0
   38    37    46    52   0.23400  1.0 3.0
   39    37    46    47   0.15000  1.0 3.0
   39    37    46    50   0.15000  1.0 3.0
   39    37    46    52   0.23400  1.0 3.0
   46    50    54    55   7.00000 -1.0 2.0
   46    50    54    58   7.00000 -1.0 2.0
   47    46    50    51   0.33100  1.0 3.0
   47    46    50    54   0.00000  1.0 1.0
   47    46    52    53   0.19450  1.0 3.0
   50    46    52    53  -0.07800  1.0 1.0
   50    46    52    53  -0.21500 -1.0 2.0
   50    46    52    53  -0.03150  1.0 3.0
   50    54    55    56   0.00000  1.0 1.0
   50    54    55    57   0.00000  1.0 1.0
   50    54    55    62   0.09850  1.0 1.0
   50    54    55    62   0.15250 -1.0 2.0
   50    54    55    62  -0.50650  1.0 3.0
   50    54    58    59   0.00000  1.0 1.0
   50    54    58    60   0.00000  1.0 1.0
   50    54    58    61   0.00000  1.0 1.0
   51    50    54    55   7.00000 -1.0 2.0
   51    50    54    58   7.00000 -1.0 2.0
   54    55    62    63   0.15000  1.0 3.0
   54    55    62    64   0.34400  1.0 1.0
   54    55    62    64   0.09450 -1.0 2.0
   54    55    62    64   0.11100  1.0 3.0
   54    55    62    75   0.61850  1.0 1.0
   54    55    62    75  -0.22750 -1.0 2.0
   54    55    62    75   0.15300  1.0 3.0
   55    54    58    59   0.34800  1.0 3.0
   55    54    58    60   0.34800  1.0 3.0
   55    54    58    61   0.34800  1.0 3.0
   55    62    64    65   0.15000  1.0 3.0
   55    62    64    66   0.34400  1.0 1.0
   55    62    64    66   0.09450 -1.0 2.0
   55    62    64    66   0.11100  1.0 3.0
   55    62    64    67   0.56750  1.0 1.0
   55    62    64    67  -0.07550 -1.0 2.0
   55    62    64    67   0.20000  1.0 3.0
   55    62    75    70  -0.25900  1.0 1.0
   55    62    75    70  -0.47000 -1.0 2.0
   55    62    75    70   0.11750  1.0 3.0
   56    55    62    63   0.15000  1.0 3.0
   56    55    62    64   0.15000  1.0 3.0
   56    55    62    75   0.23400  1.0 3.0
   57    55    62    63   0.15000  1.0 3.0
   57    55    62    64   0.15000  1.0 3.0
   57    55    62    75   0.23400  1.0 3.0
   62    64   -66    70   0.09700  1.0 1.0
   62    64   -66    70   0.15600 -1.0 2.0
   62    64   -66    70  -0.50800  1.0 3.0
   62    64    66    72   0.09850  1.0 1.0
   62    64    66    72   0.15250 -1.0 2.0
   62    64    66    72  -0.50650  1.0 3.0
   62    64    67    68   0.15000  1.0 3.0
   62    64    67    69   0.15000  1.0 3.0
   62    64    67    40   0.56750  1.0 1.0
   62    64    67    40  -0.07550 -1.0 2.0
   62    64    67    40   0.20000  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    64    67   0.15000  1.0 3.0
   63    62    75    70   0.08050  1.0 3.0
   64    62   -75    70  -0.25900  1.0 1.0
   64    62   -75    70  -0.47000 -1.0 2.0
   64    62   -75    70   0.11750  1.0 3.0
   64    66    70    71  -0.64400  1.0 1.0
   64    66    70    71   0.26850 -1.0 2.0
   64    66   -70    75  -0.15000  1.0 1.0
   64    66   -70    75   0.89550 -1.0 2.0
   64    66   -70    75  -0.06900  1.0 3.0
   64    66    72    73   7.00000 -1.0 2.0
   64    66    72    74   7.00000 -1.0 2.0
   64    67    40    33   0.56750  1.0 1.0
   64    67    40    33  -0.07550 -1.0 2.0
   64    67    40    33   0.20000  1.0 3.0
   64    67    40    41   0.15000  1.0 3.0
   64    67    40    48   0.86500  1.0 1.0
   64    67    40    48  -0.17500 -1.0 2.0
   64    67    40    48   0.20800  1.0 3.0
   65    64    66    70   0.15000  1.0 3.0
   65    64    66    72   0.00000  1.0 1.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    40   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    40   0.34400  1.0 1.0
   66    64    67    40   0.09450 -1.0 2.0
   66    64    67    40   0.11100  1.0 3.0
   66    70   -75    62   2.00000 -1.0 2.0
   70    66    72    73   7.00000 -1.0 2.0
   70    66    72    74   7.00000 -1.0 2.0
   71    70    75    62   3.00000 -1.0 2.0
   75    62    64    65   0.23400  1.0 3.0
   75    62   -64    66   0.61850  1.0 1.0
   75    62   -64    66  -0.22750 -1.0 2.0
   75    62   -64    66   0.15300  1.0 3.0
   75    62    64    67   0.62750  1.0 1.0
   75    62    64    67  -0.30950 -1.0 2.0
   75    62    64    67   0.27300  1.0 3.0
   72    66    70    71   1.00000 -1.0 2.0
   72    66    70    75  -0.56150  1.0 1.0
   72    66    70    75   2.19150 -1.0 2.0
   67    64    66    70   0.09700  1.0 1.0
   67    64    66    70   0.15600 -1.0 2.0
   67    64    66    70  -0.50800  1.0 3.0
   67    64    66    72   0.09850  1.0 1.0
   67    64    66    72   0.15250 -1.0 2.0
   67    64    66    72  -0.50650  1.0 3.0
   67    40    48    49  -0.11600  1.0 1.0
   67    40    48    49  -0.09450 -1.0 2.0
   67    40    48    49   0.21250  1.0 3.0
   68    67    40    33   0.15000  1.0 3.0
   68    67    40    41   0.15000  1.0 3.0
   68    67    40    48   0.23400  1.0 3.0
   69    67    40    33   0.15000  1.0 3.0
   69    67    40    41   0.15000  1.0 3.0
   69    67    40    48   0.23400  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    46   0.56750  1.0 1.0
   40    33    37    46  -0.07550 -1.0 2.0
   40    33    37    46   0.20000  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    45   0.15000  1.0 3.0
   41    40    48    49   0.19450  1.0 3.0
   58    54    55    56   0.34800  1.0 3.0
   58    54    55    57   0.34800  1.0 3.0
   58    54    55    62   0.46850  1.0 1.0
   58    54    55    62   0.08550 -1.0 2.0
   58    54    55    62   0.09800  1.0 3.0
   52    46    50    51   0.00000  1.0 1.0
   52    46    50    54   0.67800  1.0 1.0
   52    46    50    54   0.47050 -1.0 2.0
   52    46    50    54  -0.62500  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    46   0.56750  1.0 1.0
   42    33    37    46  -0.07550 -1.0 2.0
   42    33    37    46   0.20000  1.0 3.0
   42    33    40    67   0.56750  1.0 1.0
   42    33    40    67  -0.07550 -1.0 2.0
   42    33    40    67   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    48   0.86500  1.0 1.0
   42    33    40    48  -0.17500 -1.0 2.0
   42    33    40    48   0.20800  1.0 3.0
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
   46    51    50    54   1.10000 -1.0 2.0
   55    58    54    50   1.10000 -1.0 2.0
   64    70    66    72   1.10000 -1.0 2.0
   66    75    70    71  10.50000 -1.0 2.0
   73    74    72    66   1.10000 -1.0 2.0
END
