* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    137    219     407
    1     0 S   NP   _N1_     1    29.01651    93.53365   -25.19109
    2     1 S   H    _HN1     2     1.02793   114.20559  -104.91626
    3     1 S   H    _H1_     3     1.02948    91.43091     5.97740
    4     1 S   H    _H2_     4     1.02828    15.67866  -174.04194
    5     1 S   CT   _CA1     5     1.50126   117.98975   120.10159
    6     5 S   HC   _HA1     6     1.09575   105.17366    74.58765
    7     5 S   CO3  _C1_     7     1.53769   112.38398   -45.62400
    8     7 S   O2Z  _O11     8     1.26374   115.00998   -44.27305
    9     7 S   O2Z  _O12     9     1.26230   114.93554   134.69174
   10     5 S   CT   _CB1    10     1.53057   107.39935  -167.47883
   11    10 S   HC   HB11    11     1.09840   109.33685   -49.57258
   12    10 S   HC   HB12    12     1.09811   110.48141    67.01370
   13    10 S   CT   _CG1    13     1.53020   112.63685  -170.51028
   14    13 S   HC   HG11    14     1.09575   110.71082   -66.70433
   15    13 S   HC   HG12    15     1.09669   109.73041    52.55153
   16    13 S   C    _CD1    16     1.51815   111.99826   173.01281
   17    16 S   O    _OE1    17     1.22760   123.18390    10.96697
   18    16 S   N    _N2_    18     1.38630   111.83372  -169.08914
   19    18 S   H    _HN2    19     1.01589   119.05426     0.98397
   20    18 S   CT1  _CA2    20     1.46245   123.37066   176.96578
   21    20 S   HC   _HA2    21     1.09746   109.27775     6.58094
   22    20 S   C    _C2_    22     1.53673   108.86686  -108.90087
   23    22 S   O    _O2_    23     1.23077   122.26084  -149.23431
   24    20 S   CT   _CB2    32     1.53543   111.67593   128.53033
   25    24 S   HC   HB21    33     1.09449   109.19437    56.87745
   26    24 S   HC   HB22    34     1.09153   109.33525   175.79644
   27    22 S   N    _N3_    24     1.38323   113.85675    38.31503
   28    27 S   H    _HN3    25     1.01546   119.60374    -3.39609
   29    24 S   S    _SG2    35     1.82661   110.95157   -63.73522
   30    27 S   CT   _CA3    26     1.45275   123.24706   177.14487
   31    30 S   HC   HA31    27     1.09548   107.51906   -64.60414
   32    30 S   HC   HA32    28     1.09556   107.98599    51.84528
   33    29 S   CT   _C14    36     1.92777   103.32280  -175.33461
   34    30 S   CO3  _C3_    29     1.52964   114.06045   173.84524
   35    34 S   O2Z  _O31    30     1.26382   116.08561    -0.29074
   36    34 S   O2Z  _O32    31     1.26426   114.41565   179.76677
   37    33 S   CM   _C13    37     1.54529   106.54150   -50.10518
   38    33 S   CT   _C15    58     1.55240   109.50369    78.83618
   39    38 S   HC   _H5_    59     1.09804   108.31906  -178.80237
   40    37 S   CMA  _C12    38     1.36483   120.19127   -77.74036
   41    40 S   OM   _O35    39     1.26099   131.95844   178.92298
   42    37 S   CT   _C17    68     1.51051   118.03089   104.53093
   43    42 S   HC   _H15    69     1.09222   111.46955   -59.26393
   44    42 S   HC   _H16    70     1.09464   112.86885  -179.27638
   45    42 S   HC   _H17    71     1.09472   110.16819    61.44118
   46    40 S   CM   _C11    40     1.47267   118.09951    -2.08657
   47    46 S   HC   _H14    41     1.08845   119.44462   160.14468
   48    46 S   CM   _C10    42     1.34591   121.87064   -21.94975
   49    48 S   HC   _H13    43     1.08518   120.18130  -177.07337
   50    33 S   CT   _C9_    44     1.60824   109.09046  -165.90887
   51    50 S   CT   _C8_    45     1.55898   111.49357   -61.90493
   52    51 S   HC   _H11    46     1.09816   110.15398  -176.26550
   53    51 S   HC   _H12    47     1.09698   110.51898    67.75928
   54    50 S   CT   _C18    64     1.56240   113.13212   177.71347
   55    54 S   HC   _H18    65     1.09272   113.07930    64.30007
   56    54 S   HC   _H19    66     1.09516   112.88025   -56.82067
   57    54 S   HC   _H20    67     1.09779   110.58652  -176.27974
   58    51 S   CT   _C7_    48     1.54170   113.09701   -54.62633
   59    58 S   HC   _H9_    49     1.09620   109.22275   172.97451
   60    58 S   HC   _H10    50     1.09542   110.37838   -70.65308
   61    58 S   CT   _C6_    51     1.51865   110.37577    51.84378
   62    61 S   HC   _H4_    52     1.09864   107.68919    68.08945
   63    61 S   CT   _C5_    53     1.51876   118.63740  -170.50042
   64    63 S   HC   _H3_    54     1.09618   111.65542    47.47514
   65    63 S   CO4  _C16    55     1.51937    99.52945   161.72815
   66    65 S   O    _O34    56     1.22089   126.18243   159.57924
   67    63 S   CT   _C4_    60     1.51725   113.36160   -78.41167
   68    67 S   HC   _H6_    61     1.09561   111.59631   -58.40121
   69    67 S   HC   _H7_    62     1.09528   110.52587  -177.56490
   70    67 S   HC   _H8_    63     1.09436   111.01367    62.55505
   71    65 S   OS   _O33    57     1.37833   109.54308   -20.94015
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  26   2   1   1  16  18   7  10   4   5   2   1   1   6   3  10
   3  12  12   6   5   4   2   1   1   9   4   3  10   5   8   7
   6   2   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    48    50    51    61    71    38    39    54    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    46    48    49    50    51    52    53    58    61    62    63    65    71    38    39    54    55    56    57    42    43    44    45  
   35    36  
   36  
    0  
   40    41    46    47    48    50    51    61    71    38    39    54    42    43    44    45  
   39    67    54    42    40    48    50    51    58    59    60    61    62    63    64    65    66    71  
   50    58    61    62    63    65    71  
   41    46    47    48    49    50    42    43    44    45  
   46    47    48    42  
   43    44    45    46    50  
   44    45  
   45  
    0  
   47    48    49    50    51    54  
   48    49    50  
   49    50    51    52    53    58    54    55    56    57  
   50    51    54  
   51    52    53    58    59    60    61    71    54    55    56    57  
   52    53    58    59    60    61    62    63    54    55    56    57  
   53    58    59    60    61    54  
   58    59    60    61    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    62    63    64    65    71    67  
   60    61    62    63  
   61    62    63  
   62    63    64    65    66    71    67    68    69    70  
   63    64    65    71    67  
   64    65    66    71    67    68    69    70  
   65    66    71    67    68    69    70  
   66    71    67    68    69    70  
   71    67  
   68    69    70    71  
   69    70  
   70  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.0000   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   317.000  1.510
   33    50   268.000  1.529
   33    38   268.000  1.529
   37    40   465.000  1.376
   37    42   317.000  1.510
   40    41   745.000  1.250
   40    46   465.000  1.376
   46    47   340.000  1.080
   46    48   549.000  1.340
   48    49   340.000  1.080
   48    50   317.000  1.510
   50    51   268.000  1.529
   50    54   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    38   268.000  1.529
   63    64   340.000  1.090
   63    65   317.000  1.522
   63    67   268.000  1.529
   65    66   570.000  1.229
   65    71   214.000  1.327
   71    38   320.000  1.410
   38    39   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   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  112.20000
   29    33    50    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    40    70.00000  124.00000
   33    37    42    65.00000  117.92700
   33    50    48    70.00000  112.02700
   33    50    51    58.35000  112.70000
   33    50    54    58.35000  112.70000
   33    38    61    58.35000  112.70000
   33    38    71    50.00000  109.50000
   33    38    39    37.50000  110.70000
   37    40    41    65.00000  137.10300
   37    40    46    70.00000  123.01800
   37    42    43    35.00000  109.50000
   37    42    44    35.00000  109.50000
   37    42    45    35.00000  109.50000
   40    46    47    40.00000  120.50800
   40    46    48    70.00000  117.34000
   46    40    41    65.00000  137.10300
   46    48    49    35.00000  120.00000
   46    48    50    70.00000  124.00000
   48    46    47    35.00000  120.00000
   48    50    51    70.00000  112.02700
   48    50    54    70.00000  112.02700
   50    33    37    70.00000  112.02700
   50    48    49    35.00000  117.00000
   50    51    52    37.50000  110.70000
   50    51    53    37.50000  110.70000
   50    51    58    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    57    37.50000  110.70000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    61    58.35000  112.70000
   53    51    52    33.00000  107.80000
   58    51    52    37.50000  110.70000
   58    51    53    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    58.35000  112.70000
   58    61    38    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    63    64    37.50000  110.70000
   61    63    65    63.00000  111.10000
   61    63    67    58.35000  112.70000
   61    38    71    50.00000  109.50000
   61    38    39    37.50000  110.70000
   63    61    62    37.50000  110.70000
   63    65    66    80.00000  120.40000
   63    65    71    81.00000  111.40000
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    70    37.50000  110.70000
   65    63    64    35.00000  109.50000
   65    71    38    83.00000  116.90000
   71    65    66    83.00000  123.40000
   71    38    39    35.00000  109.50000
   38    33    37    70.00000  112.02700
   38    33    50    58.35000  112.70000
   38    61    62    37.50000  110.70000
   38    61    63    58.35000  112.70000
   67    63    64    37.50000  110.70000
   67    63    65    63.00000  111.10000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   54    50    51    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   42    37    40    70.00000  124.00000
   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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    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
   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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    50    48   0.56750  1.0 1.0
   29    33    50    48  -0.07550 -1.0 2.0
   29    33    50    48   0.20000  1.0 3.0
   29    33    50    51   0.44750  1.0 1.0
   29    33    50    51  -0.17800 -1.0 2.0
   29    33    50    51   0.20200  1.0 3.0
   29    33    50    54   0.44750  1.0 1.0
   29    33    50    54  -0.17800 -1.0 2.0
   29    33    50    54   0.20200  1.0 3.0
   29    33    38    61   0.44750  1.0 1.0
   29    33    38    61  -0.17800 -1.0 2.0
   29    33    38    61   0.20200  1.0 3.0
   29    33    38    71   0.56750  1.0 1.0
   29    33    38    71  -0.07550 -1.0 2.0
   29    33    38    71   0.20000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    46   7.00000 -1.0 2.0
   33    37    42    43   0.34800  1.0 3.0
   33    37    42    44   0.34800  1.0 3.0
   33    37    42    45   0.34800  1.0 3.0
   33    50    51    52   0.15000  1.0 3.0
   33    50    51    53   0.15000  1.0 3.0
   33    50    51    58   0.56750  1.0 1.0
   33    50    51    58  -0.07550 -1.0 2.0
   33    50    51    58   0.20000  1.0 3.0
   33    50    54    55   0.15000  1.0 3.0
   33    50    54    56   0.15000  1.0 3.0
   33    50    54    57   0.15000  1.0 3.0
   37    33    50    48   0.31000  1.0 1.0
   37    33    50    48   0.14700 -1.0 2.0
   37    33    50    48   0.07550  1.0 3.0
   37    33    50    51   0.34400  1.0 1.0
   37    33    50    51   0.09450 -1.0 2.0
   37    33    50    51   0.11100  1.0 3.0
   37    33    50    54   0.34400  1.0 1.0
   37    33    50    54   0.09450 -1.0 2.0
   37    33    50    54   0.11100  1.0 3.0
   37    33    38    61   0.34400  1.0 1.0
   37    33    38    61   0.09450 -1.0 2.0
   37    33    38    61   0.11100  1.0 3.0
   37    33    38    71   0.61850  1.0 1.0
   37    33    38    71  -0.22750 -1.0 2.0
   37    33    38    71   0.15300  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    40    46    47   7.00000 -1.0 2.0
   37    40   -46    48   7.00000 -1.0 2.0
   40    37    42    43   0.00000  1.0 1.0
   40    37    42    44   0.00000  1.0 1.0
   40    37    42    45   0.00000  1.0 1.0
   40    46    48    49   7.00000 -1.0 2.0
   40    46    48    50   7.00000 -1.0 2.0
   41    40    46    47   7.00000 -1.0 2.0
   41    40    46    48   7.00000 -1.0 2.0
   46    48   -50    33   0.09850  1.0 1.0
   46    48   -50    33   0.15250 -1.0 2.0
   46    48   -50    33  -0.50650  1.0 3.0
   46    48    50    51   0.09850  1.0 1.0
   46    48    50    51   0.15250 -1.0 2.0
   46    48    50    51  -0.50650  1.0 3.0
   46    48    50    54   0.09850  1.0 1.0
   46    48    50    54   0.15250 -1.0 2.0
   46    48    50    54  -0.50650  1.0 3.0
   47    46    48    49   7.00000 -1.0 2.0
   47    46    48    50   7.00000 -1.0 2.0
   48    50    51    52   0.15000  1.0 3.0
   48    50    51    53   0.15000  1.0 3.0
   48    50    51    58   0.34400  1.0 1.0
   48    50    51    58   0.09450 -1.0 2.0
   48    50    51    58   0.11100  1.0 3.0
   48    50    54    55   0.15000  1.0 3.0
   48    50    54    56   0.15000  1.0 3.0
   48    50    54    57   0.15000  1.0 3.0
   49    48    50    33   0.00000  1.0 1.0
   49    48    50    51   0.00000  1.0 1.0
   49    48    50    54   0.00000  1.0 1.0
   50    33   -37    40   0.09850  1.0 1.0
   50    33   -37    40   0.15250 -1.0 2.0
   50    33   -37    40  -0.50650  1.0 3.0
   50    33    37    42   0.46850  1.0 1.0
   50    33    37    42   0.08550 -1.0 2.0
   50    33    37    42   0.09800  1.0 3.0
   50    33    38    61   0.56750  1.0 1.0
   50    33    38    61  -0.07550 -1.0 2.0
   50    33    38    61   0.20000  1.0 3.0
   50    33    38    71   0.62750  1.0 1.0
   50    33    38    71  -0.30950 -1.0 2.0
   50    33    38    71   0.27300  1.0 3.0
   50    33    38    39   0.15000  1.0 3.0
   50    51    58    59   0.15000  1.0 3.0
   50    51    58    60   0.15000  1.0 3.0
   50    51   -58    61   0.56750  1.0 1.0
   50    51   -58    61  -0.07550 -1.0 2.0
   50    51   -58    61   0.20000  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
   51    58    61    62   0.15000  1.0 3.0
   51    58    61    63   0.56750  1.0 1.0
   51    58    61    63  -0.07550 -1.0 2.0
   51    58    61    63   0.20000  1.0 3.0
   51    58    61    38   0.56750  1.0 1.0
   51    58    61    38  -0.07550 -1.0 2.0
   51    58    61    38   0.20000  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    61   0.15000  1.0 3.0
   53    51    58    59   0.15000  1.0 3.0
   53    51    58    60   0.15000  1.0 3.0
   53    51    58    61   0.15000  1.0 3.0
   58    61    63    64   0.15000  1.0 3.0
   58    61    63    65  -0.95700  1.0 1.0
   58    61    63    65  -0.18200 -1.0 2.0
   58    61    63    65   0.29450  1.0 3.0
   58    61    63    67   0.56750  1.0 1.0
   58    61    63    67  -0.07550 -1.0 2.0
   58    61    63    67   0.20000  1.0 3.0
   58    61   -38    33   0.56750  1.0 1.0
   58    61   -38    33  -0.07550 -1.0 2.0
   58    61   -38    33   0.20000  1.0 3.0
   58    61    38    71   0.62750  1.0 1.0
   58    61    38    71  -0.30950 -1.0 2.0
   58    61    38    71   0.27300  1.0 3.0
   58    61    38    39   0.15000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    38   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    38   0.15000  1.0 3.0
   61    63    65    66   0.30150 -1.0 2.0
   61    63   -65    71   0.36750  1.0 3.0
   61    63    67    68   0.15000  1.0 3.0
   61    63    67    69   0.15000  1.0 3.0
   61    63    67    70   0.15000  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65  -0.11250  1.0 3.0
   62    61    63    67   0.15000  1.0 3.0
   62    61    38    33   0.15000  1.0 3.0
   62    61    38    71   0.23400  1.0 3.0
   62    61    38    39   0.15000  1.0 3.0
   63    61    38    33   0.56750  1.0 1.0
   63    61    38    33  -0.07550 -1.0 2.0
   63    61    38    33   0.20000  1.0 3.0
   63    61   -38    71   0.62750  1.0 1.0
   63    61   -38    71  -0.30950 -1.0 2.0
   63    61   -38    71   0.27300  1.0 3.0
   63    61    38    39   0.15000  1.0 3.0
   63    65   -71    38   1.63150  1.0 1.0
   63    65   -71    38   2.92000 -1.0 2.0
   64    63    65    66   0.00000  1.0 1.0
   64    63    65    71   0.00000  1.0 1.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    69   0.15000  1.0 3.0
   64    63    67    70   0.15000  1.0 3.0
   65    63    67    68  -0.11250  1.0 3.0
   65    63    67    69  -0.11250  1.0 3.0
   65    63    67    70  -0.11250  1.0 3.0
   65    71    38    33  -0.25900  1.0 1.0
   65    71    38    33  -0.47000 -1.0 2.0
   65    71    38    33   0.11750  1.0 3.0
   65    71   -38    61  -0.25900  1.0 1.0
   65    71   -38    61  -0.47000 -1.0 2.0
   65    71   -38    61   0.11750  1.0 3.0
   65    71    38    39   0.08050  1.0 3.0
   66    65    71    38   3.00000 -1.0 2.0
   38    33    37    40   0.09850  1.0 1.0
   38    33    37    40   0.15250 -1.0 2.0
   38    33    37    40  -0.50650  1.0 3.0
   38    33    37    42   0.46850  1.0 1.0
   38    33    37    42   0.08550 -1.0 2.0
   38    33    37    42   0.09800  1.0 3.0
   38    33    50    48   0.34400  1.0 1.0
   38    33    50    48   0.09450 -1.0 2.0
   38    33    50    48   0.11100  1.0 3.0
   38    33   -50    51   0.56750  1.0 1.0
   38    33   -50    51  -0.07550 -1.0 2.0
   38    33   -50    51   0.20000  1.0 3.0
   38    33    50    54   0.56750  1.0 1.0
   38    33    50    54  -0.07550 -1.0 2.0
   38    33    50    54   0.20000  1.0 3.0
   38    61    63    64   0.15000  1.0 3.0
   38    61   -63    65  -0.95700  1.0 1.0
   38    61   -63    65  -0.18200 -1.0 2.0
   38    61   -63    65   0.29450  1.0 3.0
   38    61    63    67   0.56750  1.0 1.0
   38    61    63    67  -0.07550 -1.0 2.0
   38    61    63    67   0.20000  1.0 3.0
   67    63    65    66   0.30150 -1.0 2.0
   67    63    65    71   0.36750  1.0 3.0
   54    50    51    52   0.15000  1.0 3.0
   54    50    51    53   0.15000  1.0 3.0
   54    50    51    58   0.56750  1.0 1.0
   54    50    51    58  -0.07550 -1.0 2.0
   54    50    51    58   0.20000  1.0 3.0
   42    37    40    41   7.00000 -1.0 2.0
   42    37    40    46   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    40   1.10000 -1.0 2.0
   46    41    40    37   1.10000 -1.0 2.0
   40    47    46    48   1.10000 -1.0 2.0
   50    49    48    46   1.10000 -1.0 2.0
   63    71    65    66  10.50000 -1.0 2.0
END
