* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    145    237     427
    1     0 S   NP   _N1_     1    28.01025    96.43701   -24.05740
    2     1 S   H    _HN1     2     1.02957    78.35224    -5.79302
    3     1 S   H    _H1_     3     1.02835    30.06537   156.70680
    4     1 S   H    _H2_     4     1.02777   109.64086  -111.31084
    5     1 S   CT   _CA1     5     1.50140   131.02592   101.19312
    6     5 S   HC   _HA1     6     1.09576   105.19710    85.38608
    7     5 S   CO3  _C1_     7     1.53774   112.34789   -34.76855
    8     7 S   O2Z  _O11     8     1.26367   114.99073   -43.91062
    9     7 S   O2Z  _O12     9     1.26233   114.92698   135.09748
   10     5 S   CT   _CB1    10     1.53088   107.41108  -156.73076
   11    10 S   HC   HB11    11     1.09829   109.28867   -50.45852
   12    10 S   HC   HB12    12     1.09815   110.44618    66.08227
   13    10 S   CT   _CG1    13     1.53031   112.70107  -171.52254
   14    13 S   HC   HG11    14     1.09592   110.51584   -65.27014
   15    13 S   HC   HG12    15     1.09659   109.89430    53.94175
   16    13 S   C    _CD1    16     1.51852   112.26589   174.28104
   17    16 S   O    _OE1    17     1.22763   123.27012     1.93816
   18    16 S   N    _N2_    18     1.38571   111.76767  -178.00374
   19    18 S   H    _HN2    19     1.01558   119.07126     3.89320
   20    18 S   CT1  _CA2    20     1.45818   122.79117   177.62496
   21    20 S   HC   _HA2    21     1.09734   108.85661    25.72396
   22    20 S   C    _C2_    22     1.52952   107.04536   -91.29238
   23    22 S   O    _O2_    23     1.22978   123.07395   -26.94880
   24    20 S   CT   _CB2    32     1.53178   112.31316   148.91195
   25    24 S   HC   HB21    33     1.09529   110.20508    54.35600
   26    24 S   HC   HB22    34     1.09530   110.09304   173.29115
   27    22 S   N    _N3_    24     1.38503   112.54127   155.78895
   28    27 S   H    _HN3    25     1.01657   120.34010    -2.20549
   29    24 S   S    _SG2    35     1.82496   111.19036   -66.74842
   30    27 S   CT   _CA3    26     1.45353   122.50438   178.59584
   31    30 S   HC   HA31    27     1.09567   107.82780   -55.41782
   32    30 S   HC   HA32    28     1.09562   107.59813    60.92219
   33    29 S   CT   _C12    36     1.84097    99.47415  -177.05816
   34    33 S   HC   _H6_    37     1.09730   107.83047    37.00707
   35    30 S   CO3  _C3_    29     1.52894   114.31100  -177.33288
   36    35 S   O2Z  _O31    30     1.26339   116.05525     0.00000
   37    35 S   O2Z  _O32    31     1.26433   114.41330   179.96044
   38    33 S   C3T  _C13    38     1.51558   107.97482   -78.72026
   39    38 S   HC   _H7_    39     1.07804   117.26459    69.99455
   40    38 S   C3T  _C14    40     1.49164   109.14119  -148.43939
   41    40 S   CT   _C10    41     1.52193   107.08678    -2.11387
   42    41 S   HC   _H5_    42     1.10004   102.55919   -90.64829
   43    38 S   O3T  _O33    69     1.43477   117.24634   -84.69340
   44    40 S   CT   _C15    70     1.48783   119.93543  -146.55352
   45    44 S   HC   _H15    71     1.09561   111.65289   -23.35564
   46    44 S   HC   _H16    72     1.09394   110.73631  -142.73363
   47    44 S   HC   _H17    73     1.09450   110.86210    96.63958
   48    41 S   CT   _C9_    43     1.52868   115.94586   153.85263
   49    48 S   HC   _H4_    44     1.09857   110.58055   -63.25634
   50    33 S   CT   _C11    61     1.59135   119.25560   160.62353
   51    50 S   OM   _O34    62     1.32762   110.18125    36.67067
   52    48 S   CT   _C8_    45     1.52972   112.51953   169.56406
   53    52 S   HC   _H3_    46     1.09845   110.82025   -45.81285
   54    52 S   CM   _C17    47     1.49588    98.40464  -156.72320
   55    52 S   CT   _C7_    54     1.52206   113.61383    78.38015
   56    55 S   HC   _H13    55     1.09721   110.14754   155.23923
   57    55 S   HC   _H14    56     1.09759   109.82263    40.36158
   58    54 S   CO4  _C16    48     1.47978   107.39430    30.16466
   59    58 S   O    _O36    49     1.21709   127.35791   166.07345
   60    54 S   CM   _C18    51     1.33563   131.34993  -148.64827
   61    60 S   HC   _H18    52     1.08384   121.59222    -1.05906
   62    60 S   HC   _H19    53     1.08549   121.48096   179.26060
   63    55 S   CT   _C6_    57     1.53795   115.95924   -84.30401
   64    63 S   HC   _H11    58     1.09924   106.09962   160.92675
   65    63 S   HC   _H12    59     1.09952   106.59112   -87.22586
   66    48 S   OS   _O35    50     1.44329   110.76234    54.27996
   67    63 S   CT   _C5_    60     1.56305   120.84450    36.25621
   68    67 S   CT   _C4_    63     1.54642   106.87219   162.24784
   69    68 S   HC   _H8_    64     1.09466   111.62226   165.87943
   70    68 S   HC   _H9_    65     1.09733   110.55059    49.20606
   71    68 S   HC   _H10    66     1.09430   112.15586   -70.92935
   72    67 S   OH   _O37    67     1.44237   107.09398   -85.84424
   73    72 S   HO   _H20    68     0.97209   108.29752   -58.49355
  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  10   5   4   3
  15   8   2   1   1  13   5  14  20   9   6   5   2   1   1  15
   7  14   4  15   8  10  11   5   4   5   2   3   1   1   9   4
   3   1   6   5   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    67    50    51    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    48    63    67    50    51    68    72    43    44  
   38    39    40    41    67    50    51    43  
   36    37  
   37  
    0  
   39    40    41    42    48    67    50    51    43    44    45    46    47  
   40    41    50    43    44  
   41    42    48    49    52    66    67    50    51    43    44    45    46    47  
   42    48    49    52    53    54    58    66    55    63    67    50    51    68    72    43    44    45    46    47  
   48    49    52    66    67    50    51    43    44  
   44    45    46    47    48    50  
   45    46    47    48    50  
   46    47  
   47  
    0  
   49    52    53    54    58    59    66    60    55    56    57    63    67    50    51  
   52    53    54    58    66    55    50  
   51    68    69    70    71    72    73    52    55    63    64    65    66    67  
   68    72    63    67  
   53    54    58    59    66    60    61    62    55    56    57    63    64    65    67  
   54    58    66    60    55    56    57    63  
   58    59    66    60    61    62    55    56    57    63  
   56    57    63    64    65    67    68    72    58    60    66  
   57    63    64    65    67  
   63    64    65    67  
   59    66    60    61    62  
   66    60  
   61    62    66  
   62  
    0  
   64    65    67    68    69    70    71    72    73  
   65    67    68    72  
   67    68    72  
    0  
   68    69    70    71    72    73  
   69    70    71    72    73  
   70    71    72  
   71    72  
   72  
   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   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   275.000  1.510
   33    50   268.000  1.529
   38    39   340.000  1.088
   38    40   260.000  1.509
   38    43   335.000  1.432
   40    41   275.000  1.510
   40    43   335.000  1.432
   40    44   275.000  1.510
   41    42   340.000  1.090
   41    48   268.000  1.529
   41    50   268.000  1.529
   48    49   340.000  1.090
   48    52   268.000  1.529
   48    66   320.000  1.410
   52    53   340.000  1.090
   52    54   317.000  1.510
   52    55   268.000  1.529
   54    58   320.000  1.462
   54    60   549.000  1.340
   58    59   570.000  1.229
   58    66   214.000  1.327
   60    61   340.000  1.080
   60    62   340.000  1.080
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   268.000  1.529
   67    50   268.000  1.529
   67    68   268.000  1.529
   67    72   320.000  1.410
   50    51   570.000  1.307
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   553.000  0.945
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   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    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  111.63000
   29    33    50    75.00000  111.63000
   33    38    39    40.00000  115.04500
   33    38    40    60.00000  120.94000
   33    38    43    80.00000  116.47100
   33    50    41    58.35000  112.70000
   33    50    67    58.35000  112.70000
   33    50    51    50.00000  109.50000
   38    33    34    45.00000  109.38400
   38    40    41    60.00000  120.94000
   38    40    43    15.00000   60.43100
   38    40    44    60.00000  120.94000
   38    43    40    15.00000   59.14900
   40    38    39    37.50000  117.20000
   40    41    42    45.00000  109.38400
   40    41    48    70.00000  112.37300
   40    41    50    70.00000  112.37300
   40    44    45    45.00000  109.38400
   40    44    46    45.00000  109.38400
   40    44    47    45.00000  109.38400
   41    48    49    37.50000  110.70000
   41    48    52    58.35000  112.70000
   41    48    66    50.00000  109.50000
   41    50    67    58.35000  112.70000
   41    50    51    50.00000  109.50000
   48    41    42    37.50000  110.70000
   48    52    53    37.50000  110.70000
   48    52    54    70.00000  112.02700
   48    52    55    58.35000  112.70000
   48    66    58    83.00000  116.90000
   52    48    49    37.50000  110.70000
   52    54    58    65.00000  116.34900
   52    54    60    70.00000  124.00000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    63    58.35000  112.70000
   54    52    53    35.00000  109.50000
   54    58    59    80.00000  123.72100
   54    58    66    90.00000  111.29400
   54    60    61    35.00000  120.00000
   54    60    62    35.00000  120.00000
   66    48    49    35.00000  109.50000
   66    48    52    50.00000  109.50000
   66    58    59    83.00000  123.40000
   60    54    58    65.00000  118.96000
   62    60    61    35.00000  117.00000
   55    52    53    37.50000  110.70000
   55    52    54    70.00000  112.02700
   55    63    64    37.50000  110.70000
   55    63    65    37.50000  110.70000
   55    63    67    58.35000  112.70000
   57    55    56    33.00000  107.80000
   63    55    56    37.50000  110.70000
   63    55    57    37.50000  110.70000
   63    67    50    58.35000  112.70000
   63    67    68    58.35000  112.70000
   63    67    72    50.00000  109.50000
   65    63    64    33.00000  107.80000
   67    63    64    37.50000  110.70000
   67    63    65    37.50000  110.70000
   67    50    51    50.00000  109.50000
   67    68    69    37.50000  110.70000
   67    68    70    37.50000  110.70000
   67    68    71    37.50000  110.70000
   67    72    73    55.00000  108.50000
   50    33    34    37.50000  110.70000
   50    33    38    70.00000  112.37300
   50    41    42    37.50000  110.70000
   50    41    48    58.35000  112.70000
   68    67    50    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    67    50    50.00000  109.50000
   72    67    68    50.00000  109.50000
   43    38    39    50.00000  114.27700
   43    38    40    15.00000   60.43100
   43    40    41    80.00000  116.47100
   44    40    41    58.35000  112.70000
   44    40    43    80.00000  116.47100
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    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    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    50    41   0.44750  1.0 1.0
   29    33    50    41  -0.17800 -1.0 2.0
   29    33    50    41   0.20200  1.0 3.0
   29    33    50    67   0.44750  1.0 1.0
   29    33    50    67  -0.17800 -1.0 2.0
   29    33    50    67   0.20200  1.0 3.0
   29    33    50    51   0.56750  1.0 1.0
   29    33    50    51  -0.07550 -1.0 2.0
   29    33    50    51   0.20000  1.0 3.0
   33    38   -40    41   0.56750  1.0 1.0
   33    38   -40    41  -0.07550 -1.0 2.0
   33    38   -40    41   0.20000  1.0 3.0
   33    38   -40    43   0.02550  1.0 1.0
   33    38   -40    43  -0.02600 -1.0 2.0
   33    38   -40    43   1.20400  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38   -43    40   0.06250  1.0 1.0
   33    38   -43    40  -0.01100 -1.0 2.0
   33    38   -43    40   0.28050  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.23400  1.0 3.0
   34    33    50    41   0.15000  1.0 3.0
   34    33    50    67   0.15000  1.0 3.0
   34    33    50    51   0.23400  1.0 3.0
   38    33   -50    41   0.47050  1.0 1.0
   38    33   -50    41   0.03900 -1.0 2.0
   38    33   -50    41   0.20100  1.0 3.0
   38    33    50    67   0.47050  1.0 1.0
   38    33    50    67   0.03900 -1.0 2.0
   38    33    50    67   0.20100  1.0 3.0
   38    33    50    51  -0.26800  1.0 1.0
   38    33    50    51   0.69150 -1.0 2.0
   38    33    50    51  -0.48750  1.0 3.0
   38    40    41    42   0.15000  1.0 3.0
   38    40    41    48   0.07850  1.0 1.0
   38    40    41    48  -0.03950 -1.0 2.0
   38    40    41    48   0.67350  1.0 3.0
   38    40   -41    50   0.07850  1.0 1.0
   38    40   -41    50  -0.03950 -1.0 2.0
   38    40   -41    50   0.67350  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40    44    46   0.15000  1.0 3.0
   38    40    44    47   0.15000  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38   -40    43   0.23400  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38   -43    40   0.36800  1.0 3.0
   40    41    48    49   0.15000  1.0 3.0
   40    41    48    52   0.47050  1.0 1.0
   40    41    48    52   0.03900 -1.0 2.0
   40    41    48    52   0.20100  1.0 3.0
   40    41    48    66  -0.26800  1.0 1.0
   40    41    48    66   0.69150 -1.0 2.0
   40    41    48    66  -0.48750  1.0 3.0
   40    41   -50    33   0.47050  1.0 1.0
   40    41   -50    33   0.03900 -1.0 2.0
   40    41   -50    33   0.20100  1.0 3.0
   40    41    50    67   0.47050  1.0 1.0
   40    41    50    67   0.03900 -1.0 2.0
   40    41    50    67   0.20100  1.0 3.0
   40    41    50    51  -0.26800  1.0 1.0
   40    41    50    51   0.69150 -1.0 2.0
   40    41    50    51  -0.48750  1.0 3.0
   41    40   -43    38   0.06250  1.0 1.0
   41    40   -43    38  -0.01100 -1.0 2.0
   41    40   -43    38   0.28050  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   41    48    52    53   0.15000  1.0 3.0
   41    48    52    54   0.34400  1.0 1.0
   41    48    52    54   0.09450 -1.0 2.0
   41    48    52    54   0.11100  1.0 3.0
   41    48    52    55   0.56750  1.0 1.0
   41    48    52    55  -0.07550 -1.0 2.0
   41    48    52    55   0.20000  1.0 3.0
   41    48    66    58  -0.25900  1.0 1.0
   41    48    66    58  -0.47000 -1.0 2.0
   41    48    66    58   0.11750  1.0 3.0
   42    41    48    49   0.15000  1.0 3.0
   42    41    48    52   0.15000  1.0 3.0
   42    41    48    66   0.23400  1.0 3.0
   42    41    50    33   0.15000  1.0 3.0
   42    41    50    67   0.15000  1.0 3.0
   42    41    50    51   0.23400  1.0 3.0
   48    41    50    33   0.56750  1.0 1.0
   48    41    50    33  -0.07550 -1.0 2.0
   48    41    50    33   0.20000  1.0 3.0
   48    41    50    67   0.56750  1.0 1.0
   48    41    50    67  -0.07550 -1.0 2.0
   48    41    50    67   0.20000  1.0 3.0
   48    41    50    51   0.62750  1.0 1.0
   48    41    50    51  -0.30950 -1.0 2.0
   48    41    50    51   0.27300  1.0 3.0
   48    52   -54    58   0.09700  1.0 1.0
   48    52   -54    58   0.15600 -1.0 2.0
   48    52   -54    58  -0.50800  1.0 3.0
   48    52    54    60   0.09850  1.0 1.0
   48    52    54    60   0.15250 -1.0 2.0
   48    52    54    60  -0.50650  1.0 3.0
   48    52    55    56   0.15000  1.0 3.0
   48    52    55    57   0.15000  1.0 3.0
   48    52    55    63   0.56750  1.0 1.0
   48    52    55    63  -0.07550 -1.0 2.0
   48    52    55    63   0.20000  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    54   0.15000  1.0 3.0
   49    48    52    55   0.15000  1.0 3.0
   49    48    66    58   0.08050  1.0 3.0
   52    48   -66    58  -0.25900  1.0 1.0
   52    48   -66    58  -0.47000 -1.0 2.0
   52    48   -66    58   0.11750  1.0 3.0
   52    54    58    59  -0.64400  1.0 1.0
   52    54    58    59   0.26850 -1.0 2.0
   52    54   -58    66  -0.15000  1.0 1.0
   52    54   -58    66   0.89550 -1.0 2.0
   52    54   -58    66  -0.06900  1.0 3.0
   52    54    60    61   7.00000 -1.0 2.0
   52    54    60    62   7.00000 -1.0 2.0
   52    55    63    64   0.15000  1.0 3.0
   52    55    63    65   0.15000  1.0 3.0
   52    55    63    67   0.56750  1.0 1.0
   52    55    63    67  -0.07550 -1.0 2.0
   52    55    63    67   0.20000  1.0 3.0
   53    52    54    58   0.15000  1.0 3.0
   53    52    54    60   0.00000  1.0 1.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    63   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    63   0.34400  1.0 1.0
   54    52    55    63   0.09450 -1.0 2.0
   54    52    55    63   0.11100  1.0 3.0
   54    58   -66    48   2.00000 -1.0 2.0
   58    54    60    61   7.00000 -1.0 2.0
   58    54    60    62   7.00000 -1.0 2.0
   59    58    66    48   3.00000 -1.0 2.0
   66    48    52    53   0.23400  1.0 3.0
   66    48   -52    54   0.61850  1.0 1.0
   66    48   -52    54  -0.22750 -1.0 2.0
   66    48   -52    54   0.15300  1.0 3.0
   66    48    52    55   0.62750  1.0 1.0
   66    48    52    55  -0.30950 -1.0 2.0
   66    48    52    55   0.27300  1.0 3.0
   60    54    58    59   1.00000 -1.0 2.0
   60    54    58    66  -0.56150  1.0 1.0
   60    54    58    66   2.19150 -1.0 2.0
   55    52    54    58   0.09700  1.0 1.0
   55    52    54    58   0.15600 -1.0 2.0
   55    52    54    58  -0.50800  1.0 3.0
   55    52    54    60   0.09850  1.0 1.0
   55    52    54    60   0.15250 -1.0 2.0
   55    52    54    60  -0.50650  1.0 3.0
   55    63    67    50   0.56750  1.0 1.0
   55    63    67    50  -0.07550 -1.0 2.0
   55    63    67    50   0.20000  1.0 3.0
   55    63    67    68   0.56750  1.0 1.0
   55    63    67    68  -0.07550 -1.0 2.0
   55    63    67    68   0.20000  1.0 3.0
   55    63    67    72   0.86500  1.0 1.0
   55    63    67    72  -0.17500 -1.0 2.0
   55    63    67    72   0.20800  1.0 3.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    65   0.15000  1.0 3.0
   56    55    63    67   0.15000  1.0 3.0
   57    55    63    64   0.15000  1.0 3.0
   57    55    63    65   0.15000  1.0 3.0
   57    55    63    67   0.15000  1.0 3.0
   63    67    50    33   0.56750  1.0 1.0
   63    67    50    33  -0.07550 -1.0 2.0
   63    67    50    33   0.20000  1.0 3.0
   63    67    50    41   0.56750  1.0 1.0
   63    67    50    41  -0.07550 -1.0 2.0
   63    67    50    41   0.20000  1.0 3.0
   63    67    50    51   0.62750  1.0 1.0
   63    67    50    51  -0.30950 -1.0 2.0
   63    67    50    51   0.27300  1.0 3.0
   63    67    68    69   0.15000  1.0 3.0
   63    67    68    70   0.15000  1.0 3.0
   63    67    68    71   0.15000  1.0 3.0
   63    67    72    73  -0.11600  1.0 1.0
   63    67    72    73  -0.09450 -1.0 2.0
   63    67    72    73   0.21250  1.0 3.0
   64    63    67    50   0.15000  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    72   0.23400  1.0 3.0
   65    63    67    50   0.15000  1.0 3.0
   65    63    67    68   0.15000  1.0 3.0
   65    63    67    72   0.23400  1.0 3.0
   50    33    38    39   0.15000  1.0 3.0
   50    33   -38    40   0.07850  1.0 1.0
   50    33   -38    40  -0.03950 -1.0 2.0
   50    33   -38    40   0.67350  1.0 3.0
   50    33    38    43   0.02550  1.0 1.0
   50    33    38    43  -0.02600 -1.0 2.0
   50    33    38    43   1.20400  1.0 3.0
   50    41    48    49   0.15000  1.0 3.0
   50    41    48    52   0.56750  1.0 1.0
   50    41    48    52  -0.07550 -1.0 2.0
   50    41    48    52   0.20000  1.0 3.0
   50    41    48    66   0.62750  1.0 1.0
   50    41    48    66  -0.30950 -1.0 2.0
   50    41    48    66   0.27300  1.0 3.0
   50    67    68    69   0.15000  1.0 3.0
   50    67    68    70   0.15000  1.0 3.0
   50    67    68    71   0.15000  1.0 3.0
   50    67    72    73  -0.11600  1.0 1.0
   50    67    72    73  -0.09450 -1.0 2.0
   50    67    72    73   0.21250  1.0 3.0
   68    67    50    33   0.56750  1.0 1.0
   68    67    50    33  -0.07550 -1.0 2.0
   68    67    50    33   0.20000  1.0 3.0
   68    67    50    41   0.56750  1.0 1.0
   68    67    50    41  -0.07550 -1.0 2.0
   68    67    50    41   0.20000  1.0 3.0
   68    67    50    51   0.62750  1.0 1.0
   68    67    50    51  -0.30950 -1.0 2.0
   68    67    50    51   0.27300  1.0 3.0
   68    67    72    73  -0.11600  1.0 1.0
   68    67    72    73  -0.09450 -1.0 2.0
   68    67    72    73   0.21250  1.0 3.0
   72    67    50    33   0.86500  1.0 1.0
   72    67    50    33  -0.17500 -1.0 2.0
   72    67    50    33   0.20800  1.0 3.0
   72    67    50    41   0.86500  1.0 1.0
   72    67    50    41  -0.17500 -1.0 2.0
   72    67    50    41   0.20800  1.0 3.0
   72    67    50    51   3.69350  1.0 1.0
   72    67    50    51  -1.82950 -1.0 2.0
   72    67    68    69   0.23400  1.0 3.0
   72    67    68    70   0.23400  1.0 3.0
   72    67    68    71   0.23400  1.0 3.0
   43    38   -40    41   0.02550  1.0 1.0
   43    38   -40    41  -0.02600 -1.0 2.0
   43    38   -40    41   1.20400  1.0 3.0
   43    38   -40    44   0.02550  1.0 1.0
   43    38   -40    44  -0.02600 -1.0 2.0
   43    38   -40    44   1.20400  1.0 3.0
   43    40    41    42   0.23400  1.0 3.0
   43    40    41    48   0.02550  1.0 1.0
   43    40    41    48  -0.02600 -1.0 2.0
   43    40    41    48   1.20400  1.0 3.0
   43    40   -41    50   0.02550  1.0 1.0
   43    40   -41    50  -0.02600 -1.0 2.0
   43    40   -41    50   1.20400  1.0 3.0
   43    40    44    45   0.23400  1.0 3.0
   43    40    44    46   0.23400  1.0 3.0
   43    40    44    47   0.23400  1.0 3.0
   44    40    41    42   0.15000  1.0 3.0
   44    40    41    48   0.56750  1.0 1.0
   44    40    41    48  -0.07550 -1.0 2.0
   44    40    41    48   0.20000  1.0 3.0
   44    40    41    50   0.56750  1.0 1.0
   44    40    41    50  -0.07550 -1.0 2.0
   44    40    41    50   0.20000  1.0 3.0
   44    40   -43    38   0.06250  1.0 1.0
   44    40   -43    38  -0.01100 -1.0 2.0
   44    40   -43    38   0.28050  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
   36    30    35    37  10.50000 -1.0 2.0
   52    58    54    60   1.10000 -1.0 2.0
   54    66    58    59  10.50000 -1.0 2.0
   61    62    60    54   1.10000 -1.0 2.0
END
