* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    140    230     415
    1     0 S   NP   _N1_     1    32.52907   101.28009   -22.38607
    2     1 S   H    _HN1     2     1.02742    81.96567   137.90555
    3     1 S   H    _H1_     3     1.03476   168.81334   -11.21031
    4     1 S   H    _H2_     4     1.02852    73.76878  -111.41607
    5     1 S   CT   _CA1     5     1.50129    57.75795    16.87573
    6     5 S   HC   _HA1     6     1.09528   104.95692   122.72217
    7     5 S   CO3  _C1_     7     1.53848   113.24819     2.13552
    8     7 S   O2Z  _O11     8     1.26439   115.05858   -26.12795
    9     7 S   O2Z  _O12     9     1.26228   115.22357   153.46358
   10     5 S   CT   _CB1    10     1.53098   107.47265  -118.64163
   11    10 S   HC   HB11    11     1.09609   109.51638   -38.64577
   12    10 S   HC   HB12    12     1.09838   110.17005    76.89221
   13    10 S   CT   _CG1    13     1.53392   112.97636  -161.58369
   14    13 S   HC   HG11    14     1.09556   110.68935  -101.64485
   15    13 S   HC   HG12    15     1.09633   111.89611    17.76018
   16    13 S   C    _CD1    16     1.51477   109.91590   138.07980
   17    16 S   O    _OE1    17     1.22763   122.21619    98.09027
   18    16 S   N    _N2_    18     1.38359   112.18452   -79.26502
   19    18 S   H    _HN2    19     1.01853   119.08580    -5.40950
   20    18 S   CT1  _CA2    20     1.45966   123.48652   174.06390
   21    20 S   HC   _HA2    21     1.09651   108.72055    33.39608
   22    20 S   C    _C2_    22     1.53235   108.31143   -83.63569
   23    22 S   O    _O2_    23     1.23072   121.34708   150.21528
   24    20 S   CT   _CB2    32     1.53326   111.72807   157.11405
   25    24 S   HC   HB21    33     1.09328   109.50934    62.99544
   26    24 S   HC   HB22    34     1.09582   109.83974  -179.47029
   27    22 S   N    _N3_    24     1.38418   114.06558   -37.33916
   28    27 S   H    _HN3    25     1.01599   119.12074     2.65623
   29    24 S   S    _SG2    35     1.83157   111.15619   -59.73872
   30    27 S   CT   _CA3    26     1.45210   123.50561  -177.31839
   31    30 S   HC   HA31    27     1.09551   108.11517   -48.41858
   32    30 S   HC   HA32    28     1.09544   107.34773    67.99760
   33    29 S   CT   _C20    36     1.86172   102.78046   152.05194
   34    33 S   OM   _O39    37     1.31876   113.01565    36.95252
   35    30 S   CO3  _C3_    29     1.53037   114.17655  -170.51229
   36    35 S   O2Z  _O31    30     1.26456   116.28688     2.60369
   37    35 S   O2Z  _O32    31     1.26414   114.45376  -177.63586
   38    33 S   CM   _C21    38     1.51379   111.25520   -88.24446
   39    33 S   CO4  _C19    70     1.53770   103.37002   151.01385
   40    39 S   O    _O36    71     1.23923   121.61588   -74.41650
   41    38 S   CMA  _C23    39     1.36507   128.22002  -118.77018
   42    41 S   OM   _O38    40     1.27571   127.54107   178.68419
   43    38 S   C    _C22    72     1.50858   117.54665    62.06196
   44    43 S   O    _O37    73     1.22740   122.80395   -86.25759
   45    41 S   CT   _C16    41     1.61231   118.52756    -0.84835
   46    45 S   OM   _O40    42     1.34250   110.19405   142.39333
   47    43 S   N    _N4_    74     1.37540   112.95761    94.05161
   48    47 S   H    _H12    75     1.01487   121.09208     0.76105
   49    47 S   H    _H13    76     1.01192   120.96954   179.36913
   50    45 S   CMA  _C15    43     1.60884   115.27041   -95.95056
   51    50 S   OM   _O35    44     1.27092   112.64820   -36.12019
   52    50 S   CM   _C7_    45     1.36774   119.24000   143.80114
   53    52 S   CM   _C6_    46     1.46008   125.97379    -2.05823
   54    53 S   CM   _C5_    47     1.35583   121.58780  -165.65185
   55    53 S   CT   _C18    65     1.51135   115.51335    12.73815
   56    55 S   HC   _H10    66     1.09703   109.22599    82.22371
   57    55 S   HC   _H11    67     1.09639   111.74621  -161.02127
   58    54 S   CA   _C10    48     1.49899   119.88312     9.05957
   59    54 S   CT   _C4_    61     1.50737   120.67020  -168.37554
   60    59 S   HC   _H4_    62     1.09386   111.26241   -93.10856
   61    59 S   HC   _H5_    63     1.09580   111.90204    27.35611
   62    59 S   HC   _H6_    64     1.09512   111.43071   143.54605
   63    45 S   CT   _C17    68     1.56527   109.20311    28.48044
   64    63 S   HC   _H3_    69     1.10251   110.72944    65.36823
   65    58 S   CA   _C9_    49     1.41453   117.99754   -22.70926
   66    52 S   CO4  _C8_    50     1.50444   118.67669   173.17608
   67    66 S   O    _O34    51     1.22569   124.25417   -30.95622
   68    65 S   CA   _C14    52     1.40846   121.39239  -175.34360
   69    68 S   CA   _C13    53     1.38666   120.59711    -1.82596
   70    69 S   HA   _H8_    54     1.08620   120.71846  -179.57572
   71    68 S   OH   _O33    59     1.36979   123.65915   179.33207
   72    71 S   HO   _H9_    60     0.97454   108.78813    -2.44032
   73    69 S   CA   _C12    55     1.38665   119.25660    -1.59704
   74    73 S   HA   _H7_    56     1.08812   118.57900  -177.15779
   75    58 S   CA   _C11    57     1.41689   125.55148   157.04864
   76    75 S   Cl   Cl1_    58     1.73478   124.40903    -8.86093
  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   8   5   4   3
  13   6   2   1   1  13  12   4  12   5   5   3  11   6   2   1
   1  10   4  12  15  15   7   3   2  14   5   2   1   1   1   1
  10   5   1   7   7   4   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    63    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    55    63    64    39    40    43    44    47  
   38    41    63    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    50    63    39    40    43    44    47    48    49  
   40    43    41    45    46    50    53    55    56    57    63    64  
   45    55    63    64  
   42    45    46    50    51    52    55    63    64    43    44    47  
   45    46    50    63    43  
   44    47    48    49    45  
   47    48    49  
   46    50    51    52    53    66    55    56    57    63    64  
   50    51    52    55    63    64  
   48    49  
   49  
    0  
   51    52    53    54    65    66    67    55    63    64  
   52    53    66    63  
   53    54    58    65    66    67    68    59    55    56    57    63  
   54    58    65    66    67    75    59    60    61    62    55    56    57    63    64  
   58    65    66    68    73    75    76    59    60    61    62    55    56    57    63  
   56    57    63    64    58    59    66  
   57    63    64  
   63    64  
   65    66    67    68    69    73    74    75    76    71    59    60    61    62  
   60    61    62    65    75  
   61    62  
   62  
    0  
   64  
    0  
   66    67    68    69    70    73    75    76    71    72  
   67    68    69    75    71  
   68  
   69    70    73    74    75    71    72  
   70    73    74    75    76    71    72  
   73    74    75    71  
   72    73  
    0  
   74    75    76  
   75    76  
   76  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   45   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   47   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   48   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   49   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   50   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   51   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   52   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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   570.000  1.307
   33    38   317.000  1.510
   33    39   317.000  1.522
   38    41   465.000  1.376
   38    43   410.000  1.444
   41    42   745.000  1.250
   41    45   270.000  1.512
   45    46   570.000  1.307
   45    50   270.000  1.512
   45    63   268.000  1.529
   50    51   745.000  1.250
   50    52   465.000  1.376
   52    53   380.000  1.444
   52    66   320.000  1.462
   53    54   549.000  1.340
   53    55   317.000  1.510
   54    58   320.000  1.460
   54    59   317.000  1.510
   58    65   469.000  1.400
   58    75   469.000  1.400
   65    66   310.000  1.470
   65    68   469.000  1.400
   66    67   570.000  1.229
   68    69   469.000  1.400
   68    71   450.000  1.364
   69    70   367.000  1.080
   69    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   300.000  1.725
   71    72   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   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    39   317.000  1.522
   39    40   570.000  1.229
   43    44   570.000  1.229
   43    47   490.000  1.335
   47    48   434.000  1.010
   47    49   434.000  1.010
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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  110.18000
   33    38    41    70.00000  124.00000
   33    38    43    70.00000  119.70000
   33    39    63    70.00000  116.00000
   33    39    40    80.00000  120.40000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    45    65.00000  122.18000
   38    43    44    80.00000  125.30000
   38    43    47    80.00000  111.56200
   41    45    46    85.00000  110.90400
   41    45    50    70.00000  110.12100
   41    45    63    70.00000  112.02700
   45    41    42    85.00000  112.85300
   45    50    51    85.00000  112.85300
   45    50    52    65.00000  122.18000
   45    63    55    58.35000  112.70000
   45    63    64    37.50000  110.70000
   45    63    39    63.00000  111.10000
   50    45    46    85.00000  110.90400
   50    52    53    70.00000  117.34000
   50    52    66    60.00000  125.92000
   52    50    51    65.00000  137.10300
   52    53    54    70.00000  123.01800
   52    53    55    70.00000  124.00000
   52    66    65    65.00000  117.02400
   52    66    67    80.00000  123.72100
   53    54    58    60.00000  123.20500
   53    54    59    70.00000  124.00000
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   53    55    63    70.00000  112.02700
   54    58    65    60.00000  120.93500
   54    58    75    60.00000  120.93500
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   54    59    62    35.00000  109.50000
   58    65    66    60.00000  119.52600
   58    65    68    63.00000  120.00000
   58    75    73    63.00000  120.00000
   58    75    76    75.00000  120.00000
   65    66    67    75.00000  123.78400
   65    68    69    63.00000  120.00000
   65    68    71    70.00000  120.00000
   66    52    53    65.00000  118.96000
   68    65    66    60.00000  119.52600
   68    69    70    35.00000  120.00000
   68    69    73    63.00000  120.00000
   68    71    72    35.00000  113.00000
   69    73    74    35.00000  120.00000
   69    73    75    63.00000  120.00000
   73    69    70    35.00000  120.00000
   73    75    76    75.00000  120.00000
   75    58    65    63.00000  120.00000
   75    73    74    35.00000  120.00000
   71    68    69    70.00000  120.00000
   59    54    58    65.00000  118.87000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   55    53    54    70.00000  124.00000
   55    63    64    37.50000  110.70000
   55    63    39    63.00000  111.10000
   57    55    56    33.00000  107.80000
   63    45    46    50.00000  109.50000
   63    45    50    70.00000  112.02700
   63    55    56    37.50000  110.70000
   63    55    57    37.50000  110.70000
   63    39    40    80.00000  120.40000
   39    33    34    90.00000  108.74100
   39    33    38    70.00000  109.06800
   39    63    64    35.00000  109.50000
   43    38    41    60.00000  120.04000
   43    47    48    35.00000  119.80000
   43    47    49    35.00000  119.80000
   47    43    44    80.00000  122.90000
   49    47    48    35.00000  120.00000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    43   0.09700  1.0 1.0
   29    33    38    43   0.15600 -1.0 2.0
   29    33    38    43  -0.50800  1.0 3.0
   29    33    39    63   0.65300  1.0 1.0
   29    33    39    63  -0.03850 -1.0 2.0
   29    33    39    63   0.33900  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    45   7.00000 -1.0 2.0
   33    38    43    44  -0.64400  1.0 1.0
   33    38    43    44   0.26850 -1.0 2.0
   33    38    43    47   1.59650  1.0 1.0
   33    38    43    47   0.42750 -1.0 2.0
   33    38    43    47  -0.48350  1.0 3.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    38    43   0.09700  1.0 1.0
   34    33    38    43   0.15600 -1.0 2.0
   34    33    38    43  -0.50800  1.0 3.0
   34    33    39    63   0.55300  1.0 1.0
   34    33    39    63   1.25850 -1.0 2.0
   34    33    39    63  -0.23600  1.0 3.0
   34    33    39    40   0.30150 -1.0 2.0
   38    33    39    63   0.65300  1.0 1.0
   38    33    39    63  -0.03850 -1.0 2.0
   38    33    39    63   0.33900  1.0 3.0
   38    33    39    40   0.30150 -1.0 2.0
   38    41    45    46   0.39000  1.0 1.0
   38    41    45    46  -0.05800 -1.0 2.0
   38    41    45    46  -0.55150  1.0 3.0
   38    41    45    50  -0.28300  1.0 1.0
   38    41    45    50   0.26700 -1.0 2.0
   38    41    45    50  -0.63300  1.0 3.0
   38    41   -45    63   0.09850  1.0 1.0
   38    41   -45    63   0.15250 -1.0 2.0
   38    41   -45    63  -0.50650  1.0 3.0
   38    43    47    48   2.56700 -1.0 2.0
   38    43    47    49   2.56700 -1.0 2.0
   41    38    43    44   1.00000 -1.0 2.0
   41    38    43    47   0.49500  1.0 1.0
   41    38    43    47   1.31600 -1.0 2.0
   41    38    43    47  -0.02300  1.0 3.0
   41    45    50    51   0.09700  1.0 1.0
   41    45    50    51   0.15600 -1.0 2.0
   41    45    50    51  -0.50800  1.0 3.0
   41    45    50    52  -0.28300  1.0 1.0
   41    45    50    52   0.26700 -1.0 2.0
   41    45    50    52  -0.63300  1.0 3.0
   41    45    63    55   0.34400  1.0 1.0
   41    45    63    55   0.09450 -1.0 2.0
   41    45    63    55   0.11100  1.0 3.0
   41    45    63    64   0.15000  1.0 3.0
   41    45    63    39  -0.98800  1.0 1.0
   41    45    63    39   0.48800 -1.0 2.0
   41    45    63    39   0.76800  1.0 3.0
   42    41    45    46   0.09700  1.0 1.0
   42    41    45    46   0.15600 -1.0 2.0
   42    41    45    46  -0.50800  1.0 3.0
   42    41    45    50   0.09700  1.0 1.0
   42    41    45    50   0.15600 -1.0 2.0
   42    41    45    50  -0.50800  1.0 3.0
   42    41    45    63   0.09700  1.0 1.0
   42    41    45    63   0.15600 -1.0 2.0
   42    41    45    63  -0.50800  1.0 3.0
   45    50    52    53   7.00000 -1.0 2.0
   45    50    52    66   7.00000 -1.0 2.0
   45    63   -39    33   0.60050  1.0 1.0
   45    63   -39    33   0.05600 -1.0 2.0
   45    63   -39    33   0.26150  1.0 3.0
   45    63    39    40   0.30150 -1.0 2.0
   46    45    50    51   0.09700  1.0 1.0
   46    45    50    51   0.15600 -1.0 2.0
   46    45    50    51  -0.50800  1.0 3.0
   46    45    50    52   0.39000  1.0 1.0
   46    45    50    52  -0.05800 -1.0 2.0
   46    45    50    52  -0.55150  1.0 3.0
   46    45    63    55   0.62750  1.0 1.0
   46    45    63    55  -0.30950 -1.0 2.0
   46    45    63    55   0.27300  1.0 3.0
   46    45    63    64   0.23400  1.0 3.0
   46    45    63    39  -0.09450  1.0 1.0
   46    45    63    39  -1.12950 -1.0 2.0
   46    45    63    39   0.54000  1.0 3.0
   50    45    63    55   0.34400  1.0 1.0
   50    45    63    55   0.09450 -1.0 2.0
   50    45    63    55   0.11100  1.0 3.0
   50    45    63    64   0.15000  1.0 3.0
   50    45    63    39  -0.98800  1.0 1.0
   50    45    63    39   0.48800 -1.0 2.0
   50    45    63    39   0.76800  1.0 3.0
   50    52    53    54   0.28850  1.0 1.0
   50    52    53    54   2.61350 -1.0 2.0
   50    52    53    54   0.78400  1.0 3.0
   50    52   -53    55  -0.18600  1.0 3.0
   50    52    66    65  -1.65800  1.0 1.0
   50    52    66    65   0.77650 -1.0 2.0
   50    52    66    67   1.00000 -1.0 2.0
   51    50    52    53   7.00000 -1.0 2.0
   51    50    52    66   7.00000 -1.0 2.0
   52    53    54    58   7.00000 -1.0 2.0
   52    53    54    59   7.00000 -1.0 2.0
   52    53    55    56   0.00000  1.0 1.0
   52    53    55    57   0.00000  1.0 1.0
   52    53    55    63   0.98200  1.0 1.0
   52    53    55    63  -0.11900 -1.0 2.0
   52    53    55    63   0.24250  1.0 3.0
   53    52    66    65  -1.65800  1.0 1.0
   53    52    66    65   0.77650 -1.0 2.0
   53    52    66    67   1.00000 -1.0 2.0
   53    54   -58    65   0.15800  1.0 1.0
   53    54   -58    65   1.85350 -1.0 2.0
   53    54   -58    65  -0.48700  1.0 3.0
   53    54    58    75   0.15800  1.0 1.0
   53    54    58    75   1.85350 -1.0 2.0
   53    54    58    75  -0.48700  1.0 3.0
   53    54    59    60   0.00000  1.0 1.0
   53    54    59    61   0.00000  1.0 1.0
   53    54    59    62   0.00000  1.0 1.0
   53    55   -63    45   0.34400  1.0 1.0
   53    55   -63    45   0.09450 -1.0 2.0
   53    55   -63    45   0.11100  1.0 3.0
   53    55    63    64   0.15000  1.0 3.0
   53    55    63    39  -0.98800  1.0 1.0
   53    55    63    39   0.48800 -1.0 2.0
   53    55    63    39   0.76800  1.0 3.0
   54    53    55    56   0.00000  1.0 1.0
   54    53    55    57   0.00000  1.0 1.0
   54    53    55    63   0.09850  1.0 1.0
   54    53    55    63   0.15250 -1.0 2.0
   54    53    55    63  -0.50650  1.0 3.0
   54    58    65    66   3.62500 -1.0 2.0
   54    58    65    68   3.62500 -1.0 2.0
   54    58    75    73   3.62500 -1.0 2.0
   54    58    75    76   3.62500 -1.0 2.0
   58    54    59    60   0.77000  1.0 3.0
   58    54    59    61   0.77000  1.0 3.0
   58    54    59    62   0.77000  1.0 3.0
   58    65   -66    52  -0.11500  1.0 1.0
   58    65   -66    52   1.10450 -1.0 2.0
   58    65   -66    52  -0.48050  1.0 3.0
   58    65    66    67   1.05000 -1.0 2.0
   58    65    68    69   3.62500 -1.0 2.0
   58    65    68    71   3.62500 -1.0 2.0
   65    58    75    73   3.62500 -1.0 2.0
   65    58    75    76   3.62500 -1.0 2.0
   65    68    69    70   3.62500 -1.0 2.0
   65    68   -69    73   3.62500 -1.0 2.0
   65    68    71    72   0.84100 -1.0 2.0
   66    52   -53    54  -0.18600  1.0 3.0
   66    52    53    55   1.08500 -1.0 2.0
   66    65    68    69   3.62500 -1.0 2.0
   66    65    68    71   3.62500 -1.0 2.0
   68    65    66    52  -0.11500  1.0 1.0
   68    65    66    52   1.10450 -1.0 2.0
   68    65    66    52  -0.48050  1.0 3.0
   68    65    66    67   1.05000 -1.0 2.0
   68    69    73    74   3.62500 -1.0 2.0
   68    69    73    75   3.62500 -1.0 2.0
   69    68    71    72   0.84100 -1.0 2.0
   69    73   -75    58   3.62500 -1.0 2.0
   69    73    75    76   3.62500 -1.0 2.0
   70    69    73    74   3.62500 -1.0 2.0
   70    69    73    75   3.62500 -1.0 2.0
   74    73    75    58   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   75    58    65    66   3.62500 -1.0 2.0
   75    58   -65    68   3.62500 -1.0 2.0
   71    68    69    70   3.62500 -1.0 2.0
   71    68    69    73   3.62500 -1.0 2.0
   59    54    58    65  -0.02500  1.0 1.0
   59    54    58    65  -0.32150 -1.0 2.0
   59    54    58    65  -0.01500  1.0 3.0
   59    54    58    75  -0.02500  1.0 1.0
   59    54    58    75  -0.32150 -1.0 2.0
   59    54    58    75  -0.01500  1.0 3.0
   55    53    54    58   7.00000 -1.0 2.0
   55    53    54    59   7.00000 -1.0 2.0
   55    63    39    33   0.60050  1.0 1.0
   55    63    39    33   0.05600 -1.0 2.0
   55    63    39    33   0.26150  1.0 3.0
   55    63    39    40   0.30150 -1.0 2.0
   56    55    63    45   0.15000  1.0 3.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    39  -0.11250  1.0 3.0
   57    55    63    45   0.15000  1.0 3.0
   57    55    63    64   0.15000  1.0 3.0
   57    55    63    39  -0.11250  1.0 3.0
   63    45    50    51   0.09700  1.0 1.0
   63    45    50    51   0.15600 -1.0 2.0
   63    45    50    51  -0.50800  1.0 3.0
   63    45   -50    52   0.09850  1.0 1.0
   63    45   -50    52   0.15250 -1.0 2.0
   63    45   -50    52  -0.50650  1.0 3.0
   64    63    39    33   0.00000  1.0 1.0
   64    63    39    40   0.00000  1.0 1.0
   39    33   -38    41  -0.51250  1.0 1.0
   39    33   -38    41  -0.88800 -1.0 2.0
   39    33   -38    41   0.08850  1.0 3.0
   39    33    38    43   0.09700  1.0 1.0
   39    33    38    43   0.15600 -1.0 2.0
   39    33    38    43  -0.50800  1.0 3.0
   43    38    41    42   7.00000 -1.0 2.0
   43    38    41    45   7.00000 -1.0 2.0
   44    43    47    48   2.45000 -1.0 2.0
   44    43    47    49   2.45000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    43    38    41   1.10000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   45    51    50    52   1.10000 -1.0 2.0
   53    66    52    50   1.10000 -1.0 2.0
   52    55    53    54   1.10000 -1.0 2.0
   58    59    54    53   1.10000 -1.0 2.0
   65    75    58    54   4.00000 -1.0 2.0
   66    68    65    58   4.00000 -1.0 2.0
   52    65    66    67  10.50000 -1.0 2.0
   69    71    68    65   4.00000 -1.0 2.0
   73    70    69    68   1.10000 -1.0 2.0
   75    74    73    69   1.10000 -1.0 2.0
   73    76    75    58   4.00000 -1.0 2.0
   33    63    39    40  10.50000 -1.0 2.0
   38    47    43    44  10.50000 -1.0 2.0
   49    43    47    48   1.00000 -1.0 2.0
END
