* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    145    227     434
    1     0 S   NP   _N1_     1    28.86214    91.57701   -21.86841
    2     1 S   H    _HN1     2     1.02796    93.03002   -93.04721
    3     1 S   H    _H1_     3     1.02960   106.89237    17.00707
    4     1 S   H    _H2_     4     1.02842    16.13259   110.28152
    5     1 S   CT   _CA1     5     1.50100   124.12491   147.49291
    6     5 S   HC   _HA1     6     1.09565   105.30416    49.14542
    7     5 S   CO3  _C1_     7     1.53801   112.28315   -71.24844
    8     7 S   O2Z  _O11     8     1.26415   115.22274   -47.02458
    9     7 S   O2Z  _O12     9     1.26237   115.06505   132.37109
   10     5 S   CT   _CB1    10     1.53095   107.41387   167.14732
   11    10 S   HC   HB11    11     1.09824   109.59944   -49.38797
   12    10 S   HC   HB12    12     1.09834   110.24051    67.15641
   13    10 S   CT   _CG1    13     1.53068   112.72438  -170.47335
   14    13 S   HC   HG11    14     1.09603   110.35579   -57.96002
   15    13 S   HC   HG12    15     1.09610   110.20125    61.33120
   16    13 S   C    _CD1    16     1.51819   111.98826  -178.20387
   17    16 S   O    _OE1    17     1.22741   123.14857    -9.58772
   18    16 S   N    _N2_    18     1.38645   111.78740   170.17871
   19    18 S   H    _HN2    19     1.01571   119.15079     3.67818
   20    18 S   CT1  _CA2    20     1.46344   123.19290  -174.06040
   21    20 S   HC   _HA2    21     1.09728   109.33914   -13.07237
   22    20 S   C    _C2_    22     1.53308   108.63212  -129.08624
   23    22 S   O    _O2_    23     1.23013   122.20174  -146.01564
   24    20 S   CT   _CB2    32     1.53726   111.19528   108.62481
   25    24 S   HC   HB21    33     1.09447   109.00725    58.33224
   26    24 S   HC   HB22    34     1.09492   110.52416   177.42519
   27    22 S   N    _N3_    24     1.38494   113.35783    41.34012
   28    27 S   H    _HN3    25     1.01530   118.91193    -0.51510
   29    24 S   S    _SG2    35     1.82660   111.23852   -62.21603
   30    27 S   CT   _CA3    26     1.45447   123.41546   175.12243
   31    30 S   HC   HA31    27     1.09526   109.20309    25.02918
   32    30 S   HC   HA32    28     1.09495   107.13145   142.02698
   33    29 S   CT   _C6_    36     1.84272   101.58097  -179.54889
   34    33 S   HC   _H4_    37     1.09689   106.78232    60.83609
   35    30 S   CO3  _C3_    29     1.52927   113.13464   -98.42461
   36    35 S   O2Z  _O31    30     1.26401   115.41150   -44.42822
   37    35 S   O2Z  _O32    31     1.26357   114.97927   136.51231
   38    33 S   CT   _C7_    38     1.53065   111.57953   -56.37605
   39    38 S   HC   _H12    39     1.09398   112.56940   -50.03090
   40    38 S   HC   _H13    40     1.09572   110.67890  -170.87364
   41    38 S   HC   _H14    41     1.09462   111.24870    71.29185
   42    33 S   CT   _C5_    42     1.55313   111.26676   178.24833
   43    42 S   HC   _H3_    43     1.09898   108.96441   171.73407
   44    42 S   CO4  _C8_    44     1.52662   113.38045    52.88705
   45    44 S   O    _O33    45     1.22421   124.66897  -102.50956
   46    42 S   CT   _C4_    73     1.53416   112.03611   -71.91010
   47    46 S   HC   _H9_    74     1.09479   112.28036    64.16098
   48    46 S   HC   _H10    75     1.09499   110.79437   -56.92776
   49    46 S   HC   _H11    76     1.09595   110.47801  -176.28437
   50    44 S   OS   _O34    46     1.36461   109.90399    76.74730
   51    50 S   CT   _C9_    47     1.44363   117.19731  -173.92259
   52    51 S   HC   _H15    48     1.09637   108.91400   -39.91546
   53    51 S   CT   _C10    49     1.54074   109.58537    80.43411
   54    53 S   HC   _H16    50     1.09807   109.42689    38.00847
   55    53 S   HC   _H17    51     1.09669   109.53653   -76.73162
   56    51 S   CT   _C15    60     1.53811   107.75694  -157.17354
   57    56 S   HC   _H18    61     1.09702   109.16729    75.38644
   58    56 S   HC   _H19    62     1.09867   109.46943   -39.19423
   59    53 S   CT   _C11    52     1.53631   113.03191   160.00313
   60    59 S   HC   _H5_    53     1.09340   110.80874  -176.47874
   61    59 S   CT   _C12    54     1.53783   114.57493    54.02695
   62    61 S   HC   _H6_    55     1.09692   109.30543   156.52197
   63    61 S   CT   _C13    56     1.54463   105.22329   -87.02051
   64    63 S   HC   _H7_    57     1.09694   108.52598  -117.22233
   65    61 S   OH   _O36    71     1.41548   112.86085    36.79242
   66    65 S   HO   _H25    72     0.97674   107.27944    60.88644
   67    63 S   CT   _C14    58     1.53914   105.25952    -0.26020
   68    67 S   HC   _H8_    59     1.09504   112.90691  -144.56266
   69    63 S   OH   _O35    69     1.41563   113.09781   123.38747
   70    69 S   HO   _H24    70     0.97239   107.87910   177.26519
   71    59 S   NP   _N4_    63     1.51909   106.03671   -58.86358
   72    71 S   H    _H20    64     1.02977   109.48551   -40.12527
   73    71 S   CT   _C16    65     1.50033   114.94724  -158.99335
   74    73 S   HC   _H21    66     1.09195   109.89675   -59.00826
   75    73 S   HC   _H22    67     1.09294   107.67203    61.74640
   76    73 S   HC   _H23    68     1.09290   107.63611  -179.70792
  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
  14   8   2   1   1   7   3   2   1   9   7  10   3   4   2   1
   1  10  14   8  15   6   5  12   5   4  16   8  12   7  10   6
   4   1   9   4   2   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    50    46    47    48    49  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    50    51    46    47    48    49  
   44    45    50    46    47    48    49  
   45    50    51    52    53    56    46    47    48    49  
   50    51    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    54    55    59    67    56    57    58  
   52    53    54    55    59    60    61    63    67    68    56    57    58    71  
   53    54    55    59    67    56    57    58  
   54    55    59    60    61    62    63    67    56    57    58    71    72    73    65  
   55    59    60    61    56    71  
   59    60    61    56    71  
   57    58    71    72    73    69    59    61    63    64    67    68  
   58    71    63    67    68  
   71    63    67    68  
   60    61    62    63    64    67    68    71    72    73    74    75    76    69    65    66  
   61    62    63    67    71    72    73    65  
   62    63    64    67    68    71    72    73    69    70    65    66  
   63    64    67    71    69    65    66  
   64    67    68    71    72    73    69    70    65    66  
   67    68    71    69    70    65  
   66    67    69    71  
    0  
   68    71    72    73    74    75    76    69    70  
   71    72    73    69  
   70    71  
    0  
   72    73    74    75    76  
   73    74    75    76  
   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  -0.335000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   72   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   33    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    59   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    71   367.000  1.471
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    65   320.000  1.410
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    69   320.000  1.410
   67    68   340.000  1.090
   67    56   268.000  1.529
   67    71   367.000  1.471
   56    57   340.000  1.090
   56    58   340.000  1.090
   71    72   434.000  1.010
   71    73   367.000  1.471
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   69    70   553.000  0.945
   65    66   553.000  0.945
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    50    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   44    42    43    35.00000  109.50000
   44    50    51    83.00000  116.90000
   50    44    45    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    50.00000  109.50000
   50    51    56    50.00000  109.50000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    59    58.35000  112.70000
   51    56    67    58.35000  112.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   53    51    52    37.50000  110.70000
   53    59    60    37.50000  110.70000
   53    59    61    58.35000  112.70000
   53    59    71    80.00000  111.20000
   55    53    54    33.00000  107.80000
   59    53    54    37.50000  110.70000
   59    53    55    37.50000  110.70000
   59    61    62    37.50000  110.70000
   59    61    63    58.35000  112.70000
   59    61    65    50.00000  109.50000
   59    71    67    75.00000  113.01200
   59    71    72    35.00000  109.50000
   59    71    73    75.00000  113.01200
   61    59    60    37.50000  110.70000
   61    63    64    37.50000  110.70000
   61    63    67    58.35000  112.70000
   61    63    69    50.00000  109.50000
   61    65    66    55.00000  108.50000
   63    61    62    37.50000  110.70000
   63    67    68    37.50000  110.70000
   63    67    56    58.35000  112.70000
   63    67    71    80.00000  111.20000
   63    69    70    55.00000  108.50000
   67    63    64    37.50000  110.70000
   67    56    57    37.50000  110.70000
   67    56    58    37.50000  110.70000
   67    71    72    35.00000  109.50000
   67    71    73    75.00000  113.01200
   56    51    52    37.50000  110.70000
   56    51    53    58.35000  112.70000
   56    67    68    37.50000  110.70000
   58    56    57    33.00000  107.80000
   71    59    60    35.00000  109.50000
   71    59    61    80.00000  111.20000
   71    67    68    35.00000  109.50000
   71    67    56    80.00000  111.20000
   71    73    74    35.00000  109.50000
   71    73    75    35.00000  109.50000
   71    73    76    35.00000  109.50000
   73    71    72    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   69    63    64    35.00000  109.50000
   69    63    67    50.00000  109.50000
   65    61    62    35.00000  109.50000
   65    61    63    50.00000  109.50000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    50   0.36750  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    49   0.15000  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    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    50    51   1.63150  1.0 1.0
   42    44    50    51   2.92000 -1.0 2.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    50   0.00000  1.0 1.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    49  -0.11250  1.0 3.0
   44    50    51    52   0.08050  1.0 3.0
   44    50    51    53  -0.25900  1.0 1.0
   44    50    51    53  -0.47000 -1.0 2.0
   44    50    51    53   0.11750  1.0 3.0
   44    50    51    56  -0.25900  1.0 1.0
   44    50    51    56  -0.47000 -1.0 2.0
   44    50    51    56   0.11750  1.0 3.0
   45    44    50    51   3.00000 -1.0 2.0
   50    51    53    54   0.23400  1.0 3.0
   50    51    53    55   0.23400  1.0 3.0
   50    51    53    59   0.62750  1.0 1.0
   50    51    53    59  -0.30950 -1.0 2.0
   50    51    53    59   0.27300  1.0 3.0
   50    51    56    67   0.62750  1.0 1.0
   50    51    56    67  -0.30950 -1.0 2.0
   50    51    56    67   0.27300  1.0 3.0
   50    51    56    57   0.23400  1.0 3.0
   50    51    56    58   0.23400  1.0 3.0
   51    53    59    60   0.15000  1.0 3.0
   51    53    59    61   0.56750  1.0 1.0
   51    53    59    61  -0.07550 -1.0 2.0
   51    53    59    61   0.20000  1.0 3.0
   51    53    59    71   1.36600  1.0 1.0
   51    53    59    71  -0.11450 -1.0 2.0
   51    53    59    71   0.24250  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    59   0.15000  1.0 3.0
   52    51    56    67   0.15000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   53    51    56    67   0.56750  1.0 1.0
   53    51    56    67  -0.07550 -1.0 2.0
   53    51    56    67   0.20000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    59    61    62   0.15000  1.0 3.0
   53    59    61    63   0.56750  1.0 1.0
   53    59    61    63  -0.07550 -1.0 2.0
   53    59    61    63   0.20000  1.0 3.0
   53    59    61    65   0.86500  1.0 1.0
   53    59    61    65  -0.17500 -1.0 2.0
   53    59    61    65   0.20800  1.0 3.0
   53    59   -71    67   0.47100  1.0 1.0
   53    59    71    72   0.17350  1.0 3.0
   53    59    71    73   0.47100  1.0 1.0
   54    53    59    60   0.15000  1.0 3.0
   54    53    59    61   0.15000  1.0 3.0
   54    53    59    71   0.19200  1.0 3.0
   55    53    59    60   0.15000  1.0 3.0
   55    53    59    61   0.15000  1.0 3.0
   55    53    59    71   0.19200  1.0 3.0
   59    61    63    64   0.15000  1.0 3.0
   59    61   -63    67   0.56750  1.0 1.0
   59    61   -63    67  -0.07550 -1.0 2.0
   59    61   -63    67   0.20000  1.0 3.0
   59    61    63    69   0.86500  1.0 1.0
   59    61    63    69  -0.17500 -1.0 2.0
   59    61    63    69   0.20800  1.0 3.0
   59    61    65    66  -0.11600  1.0 1.0
   59    61    65    66  -0.09450 -1.0 2.0
   59    61    65    66   0.21250  1.0 3.0
   59    71    73    74   0.15000  1.0 3.0
   59    71    73    75   0.15000  1.0 3.0
   59    71    73    76   0.15000  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    63   0.15000  1.0 3.0
   60    59    61    65   0.23400  1.0 3.0
   60    59    71    67   0.15000  1.0 3.0
   60    59    71    72   0.13050  1.0 3.0
   60    59    71    73   0.15000  1.0 3.0
   61    59   -71    67   0.47100  1.0 1.0
   61    59    71    72   0.17350  1.0 3.0
   61    59    71    73   0.47100  1.0 1.0
   61    63    67    68   0.15000  1.0 3.0
   61    63    67    56   0.56750  1.0 1.0
   61    63    67    56  -0.07550 -1.0 2.0
   61    63    67    56   0.20000  1.0 3.0
   61    63   -67    71   1.36600  1.0 1.0
   61    63   -67    71  -0.11450 -1.0 2.0
   61    63   -67    71   0.24250  1.0 3.0
   61    63    69    70  -0.11600  1.0 1.0
   61    63    69    70  -0.09450 -1.0 2.0
   61    63    69    70   0.21250  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    67   0.15000  1.0 3.0
   62    61    63    69   0.23400  1.0 3.0
   62    61    65    66   0.19450  1.0 3.0
   63    61    65    66  -0.11600  1.0 1.0
   63    61    65    66  -0.09450 -1.0 2.0
   63    61    65    66   0.21250  1.0 3.0
   63    67    56    51   0.56750  1.0 1.0
   63    67    56    51  -0.07550 -1.0 2.0
   63    67    56    51   0.20000  1.0 3.0
   63    67    56    57   0.15000  1.0 3.0
   63    67    56    58   0.15000  1.0 3.0
   63    67   -71    59   0.47100  1.0 1.0
   63    67    71    72   0.17350  1.0 3.0
   63    67    71    73   0.47100  1.0 1.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    56   0.15000  1.0 3.0
   64    63    67    71   0.19200  1.0 3.0
   64    63    69    70   0.19450  1.0 3.0
   67    63    69    70  -0.11600  1.0 1.0
   67    63    69    70  -0.09450 -1.0 2.0
   67    63    69    70   0.21250  1.0 3.0
   67    71    73    74   0.15000  1.0 3.0
   67    71    73    75   0.15000  1.0 3.0
   67    71    73    76   0.15000  1.0 3.0
   68    67    56    51   0.15000  1.0 3.0
   68    67    56    57   0.15000  1.0 3.0
   68    67    56    58   0.15000  1.0 3.0
   68    67    71    59   0.15000  1.0 3.0
   68    67    71    72   0.13050  1.0 3.0
   68    67    71    73   0.15000  1.0 3.0
   56    51    53    54   0.15000  1.0 3.0
   56    51    53    55   0.15000  1.0 3.0
   56    51    53    59   0.56750  1.0 1.0
   56    51    53    59  -0.07550 -1.0 2.0
   56    51    53    59   0.20000  1.0 3.0
   56    67   -71    59   0.47100  1.0 1.0
   56    67    71    72   0.17350  1.0 3.0
   56    67    71    73   0.47100  1.0 1.0
   71    59    61    62   0.19200  1.0 3.0
   71    59   -61    63   1.36600  1.0 1.0
   71    59   -61    63  -0.11450 -1.0 2.0
   71    59   -61    63   0.24250  1.0 3.0
   71    59    61    65   1.69300  1.0 1.0
   71    59    61    65  -0.48450 -1.0 2.0
   71    67   -56    51   1.36600  1.0 1.0
   71    67   -56    51  -0.11450 -1.0 2.0
   71    67   -56    51   0.24250  1.0 3.0
   71    67    56    57   0.19200  1.0 3.0
   71    67    56    58   0.19200  1.0 3.0
   72    71    73    74   0.13050  1.0 3.0
   72    71    73    75   0.13050  1.0 3.0
   72    71    73    76   0.13050  1.0 3.0
   69    63    67    68   0.23400  1.0 3.0
   69    63    67    56   0.86500  1.0 1.0
   69    63    67    56  -0.17500 -1.0 2.0
   69    63    67    56   0.20800  1.0 3.0
   69    63    67    71   1.69300  1.0 1.0
   69    63    67    71  -0.48450 -1.0 2.0
   65    61    63    64   0.23400  1.0 3.0
   65    61    63    67   0.86500  1.0 1.0
   65    61    63    67  -0.17500 -1.0 2.0
   65    61    63    67   0.20800  1.0 3.0
   65    61    63    69   3.75450  1.0 1.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    50   0.36750  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
   42    50    44    45  10.50000 -1.0 2.0
END
