* LIGAND DATABASE FILE (OPLS2005)
*
001      67    68    119    180     342
    1     0 S   NP   _N1_     1    28.93954    94.07502   -22.84236
    2     1 S   H    _HN1     2     1.02775   102.97102   -78.50969
    3     1 S   H    _H1_     3     1.02966    86.14102    29.42513
    4     1 S   H    _H2_     4     1.02824    24.93637   176.70188
    5     1 S   CT   _CA1     5     1.50161   132.65408   143.67684
    6     5 S   HC   _HA1     6     1.09581   105.17276    73.39335
    7     5 S   CO3  _C1_     7     1.53774   112.48700   -46.59303
    8     7 S   O2Z  _O11     8     1.26352   115.01698   -40.52262
    9     7 S   O2Z  _O12     9     1.26254   114.92496   138.51210
   10     5 S   CT   _CB1    10     1.53072   107.33599  -168.83764
   11    10 S   HC   HB11    11     1.09822   109.10620   -51.46358
   12    10 S   HC   HB12    12     1.09822   110.44157    64.98384
   13    10 S   CT   _CG1    13     1.53004   112.84055  -172.69615
   14    13 S   HC   HG11    14     1.09597   110.33410   -66.21802
   15    13 S   HC   HG12    15     1.09652   110.07317    53.02243
   16    13 S   C    _CD1    16     1.51812   112.30457   173.11496
   17    16 S   O    _OE1    17     1.22716   123.25401    -5.97970
   18    16 S   N    _N2_    18     1.38658   111.70796   174.97391
   19    18 S   H    _HN2    19     1.01562   119.09382     1.50493
   20    18 S   CT1  _CA2    20     1.46069   123.22256   179.73166
   21    20 S   HC   _HA2    21     1.09468   109.12107    -0.89416
   22    20 S   C    _C2_    22     1.53505   108.85633  -115.92981
   23    22 S   O    _O2_    23     1.23048   122.12452  -145.80504
   24    20 S   CT   _CB2    32     1.53350   111.64179   121.51657
   25    24 S   HC   HB21    33     1.09681   109.33236    60.40271
   26    24 S   HC   HB22    34     1.09408   111.10407   177.16773
   27    22 S   N    _N3_    24     1.38472   113.58109    41.64144
   28    27 S   H    _HN3    25     1.01495   118.97090    -0.59610
   29    24 S   S    _SG2    35     1.82988   114.58075   -58.71998
   30    27 S   CT   _CA3    26     1.45444   123.50196   175.08630
   31    30 S   HC   HA31    27     1.09516   109.38936    22.38120
   32    30 S   HC   HA32    28     1.09502   107.10962   139.38253
   33    29 S   CT   _C15    36     1.83988   101.07175   -68.95485
   34    33 S   HC   _H3_    37     1.09387   109.27227    48.80113
   35    30 S   CO3  _C3_    29     1.52899   112.90305  -101.19205
   36    35 S   O2Z  _O31    30     1.26415   115.29295   -48.37520
   37    35 S   O2Z  _O32    31     1.26339   115.06429   132.53999
   38    33 S   CO3  _C16    38     1.54399   101.49879   162.86090
   39    38 S   O2Z  _O35    39     1.26393   116.56078    86.05417
   40    38 S   O2Z  _O34    40     1.26639   114.58496   -94.87303
   41    33 S   CT   _C14    41     1.53193   111.39887   -74.92754
   42    41 S   HC   _H10    42     1.09821   111.24165   -67.28324
   43    41 S   HC   _H11    43     1.09562   111.74701    49.02321
   44    41 S   CA   _C10    44     1.51853   112.02586   170.39350
   45    44 S   CA   _C9_    45     1.41191   118.65181    97.49295
   46    45 S   HA   _H8_    46     1.08618   117.31925     0.54536
   47    45 S   CA   _C8_    47     1.40381   122.15550  -178.98702
   48    47 S   CA   _C13    48     1.40215   117.25192     0.10835
   49    48 S   F    F3__    49     1.34205   121.21606  -179.92598
   50    47 S   N    _N5_    54     1.41440   121.30128   179.97202
   51    48 S   CA   _C12    50     1.39423   121.75501    -0.24708
   52    51 S   HA   _H9_    51     1.08689   118.98938  -179.78878
   53    50 S   C    _C6_    55     1.41336   130.08437     1.99302
   54    53 S   O    _O33    56     1.22221   129.25009     0.94915
   55    44 S   CA   _C11    52     1.40262   122.78064   -81.56939
   56    55 S   Cl   Cl1_    53     1.72822   122.23988    -1.51955
   57    53 S   N    _N6_    57     1.38283   104.75075  -179.55063
   58    57 S   CDX  _C5_    58     1.34473   106.18063    -0.57777
   59    57 S   CT   _C7_    64     1.44393   125.24140  -179.53019
   60    59 S   F    F1__    65     1.35641   110.30290  -124.19273
   61    59 S   F    F2__    66     1.35662   110.16422   117.84079
   62    59 S   HC   _H7_    67     1.09340   111.34811    -3.07218
   63    50 S   NI   _N4_    59     1.37464   120.35060  -178.06953
   64    58 S   CT   _C4_    60     1.49185   121.96593  -179.79158
   65    64 S   HC   _H4_    61     1.09345   109.53992   -63.45651
   66    64 S   HC   _H5_    62     1.09319   110.38491   176.37113
   67    64 S   HC   _H6_    63     1.09319   109.93634    55.87173
  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   9   5   4   3
  10   7   2   1   1   6   2   1   9   4   3   9  10   4  11   8
   4   8   3   2   9   4   1   1  10   9   5   2   1   1   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    41    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  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    55  
   38    39    40    41    42    43    44  
   36    37  
   37  
    0  
   39    40    41    42    43    44  
   40    41  
   41  
   42    43    44    45    46    47    51    55    56  
   43    44    45    55  
   44    45    55  
   45    46    47    48    51    52    55    56    50  
   46    47    48    49    51    55    56    50    53    63  
   47    48    55    50  
   48    49    51    52    55    50    53    54    57    58    63  
   49    51    52    55    56    50    53    63  
   51    52    55    50  
   53    54    57    58    63    64    59    51  
   52    55    56  
   55    56  
   54    57    58    63    64    59    60    61    62  
   57    58    63    59  
   56  
    0  
   58    63    64    65    66    67    59    60    61    62  
   63    64    65    66    67    59    60    61    62  
   60    61    62    63    64  
   61    62  
   62  
    0  
   64    65    66    67  
   65    66    67  
   66    67  
   67  
    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   0.007500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   41   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.220000   2.5000   1.7750   0.001000000  -0.843144165
   49   2.8500   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   50   3.2500   0.1700  -0.207500   1.8100   1.6000   0.054801302  -1.445846770
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.7500   0.1050   0.861300   1.9250   1.7000   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.616300   1.5250   1.4250   0.001000000  -1.480495490
   55   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   57   3.2500   0.1700  -0.367500   1.8100   1.6000   0.054801302  -1.445846770
   58   3.7500   0.1050   0.481500   2.0020   1.7750   0.023028004  -0.852763146
   59   3.2500   0.0620   0.212500   1.9750   1.7500   0.005000000  -0.741685710
   60   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   61   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   62   2.5000   0.0300   0.150000   1.3810   1.2100   0.008598240   0.268726247
   63   3.2800   0.1700  -0.359000   1.8540   1.6400   0.005000000   0.000000000
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   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   317.000  1.522
   33    41   268.000  1.529
   38    39   656.000  1.250
   38    40   656.000  1.250
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   317.000  1.510
   44    45   469.000  1.400
   44    55   469.000  1.400
   45    46   367.000  1.080
   45    47   469.000  1.400
   47    48   469.000  1.400
   47    50   360.000  1.404
   48    49   420.000  1.354
   48    51   469.000  1.400
   51    52   367.000  1.080
   51    55   469.000  1.400
   55    56   300.000  1.725
   50    53   490.000  1.335
   50    63   305.000  1.341
   53    54   570.000  1.229
   53    57   490.000  1.335
   57    58   400.000  1.380
   57    59   337.000  1.449
   58    63   650.000  1.285
   58    64   260.000  1.508
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   59    60   367.000  1.332
   59    61   367.000  1.332
   59    62   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    70.00000  116.78000
   29    33    41    75.00000  111.63000
   33    38    39    70.00000  117.00000
   33    38    40    70.00000  117.00000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    70.00000  112.17500
   38    33    34    35.00000  109.50000
   40    38    39    80.00000  126.00000
   41    33    34    37.50000  110.70000
   41    33    38    70.00000  109.69300
   41    44    45    70.00000  120.00000
   41    44    55    70.00000  120.00000
   43    41    42    33.00000  107.80000
   44    41    42    35.00000  109.50000
   44    41    43    35.00000  109.50000
   44    45    46    35.00000  120.00000
   44    45    47    63.00000  120.00000
   44    55    51    63.00000  120.00000
   44    55    56    75.00000  120.00000
   45    47    48    63.00000  120.00000
   45    47    50    70.00000  119.01900
   47    45    46    35.00000  120.00000
   47    48    49    80.00000  120.00000
   47    48    51    63.00000  120.00000
   47    50    53    65.00000  121.96500
   47    50    63    75.00000  123.91000
   48    51    52    35.00000  120.00000
   48    51    55    63.00000  120.00000
   51    48    49    80.00000  120.00000
   51    55    56    75.00000  120.00000
   55    44    45    63.00000  120.00000
   55    51    52    35.00000  120.00000
   50    47    48    70.00000  119.01900
   50    53    54    80.00000  122.90000
   50    53    57    90.00000  111.91700
   50    63    58   110.00000  108.05000
   53    57    58    70.00000  120.51600
   53    57    59    50.00000  121.90000
   57    53    54    80.00000  122.90000
   57    58    63    80.00000  119.04400
   57    58    64    70.00000  106.88000
   57    59    60    95.00000  109.00000
   57    59    61    95.00000  109.00000
   57    59    62    35.00000  109.50000
   58    64    65    45.00000  109.58200
   58    64    66    45.00000  109.58200
   58    64    67    45.00000  109.58200
   63    50    53    75.00000  121.16600
   64    58    63    70.00000  118.34500
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   59    57    58    70.00000  118.08000
   61    59    60    77.00000  109.10000
   62    59    60    40.00000  107.00000
   62    59    61    40.00000  107.00000
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   0.32350  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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.30150 -1.0 2.0
   29    33    38    40   0.30150 -1.0 2.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.56750  1.0 1.0
   29    33    41    44  -0.07550 -1.0 2.0
   29    33    41    44   0.20000  1.0 3.0
   33    41    44    45   0.04150 -1.0 2.0
   33    41    44    55   0.04150 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    43   0.15000  1.0 3.0
   34    33    41    44   0.43200  1.0 3.0
   38    33    41    42  -0.11250  1.0 3.0
   38    33    41    43  -0.11250  1.0 3.0
   38    33    41    44  -2.95950  1.0 1.0
   38    33    41    44   0.02300  1.0 3.0
   41    33    38    39   0.41150 -1.0 2.0
   41    33    38    40   0.41150 -1.0 2.0
   41    44    45    46   3.62500 -1.0 2.0
   41    44    45    47   3.62500 -1.0 2.0
   41    44    55    51   3.62500 -1.0 2.0
   41    44    55    56   3.62500 -1.0 2.0
   42    41    44    45   0.00000  1.0 1.0
   42    41    44    55   0.00000  1.0 1.0
   43    41    44    45   0.00000  1.0 1.0
   43    41    44    55   0.00000  1.0 1.0
   44    45    47    48   3.62500 -1.0 2.0
   44    45    47    50   3.62500 -1.0 2.0
   45    44    55    51   3.62500 -1.0 2.0
   45    44    55    56   3.62500 -1.0 2.0
   45    47    48    49   3.62500 -1.0 2.0
   45    47   -48    51   3.62500 -1.0 2.0
   45    47    50    53   1.00100  1.0 1.0
   45    47    50    53   0.85050 -1.0 2.0
   45    47    50    63   0.96250 -1.0 2.0
   46    45    47    48   3.62500 -1.0 2.0
   46    45    47    50   3.62500 -1.0 2.0
   47    48    51    52   3.62500 -1.0 2.0
   47    48    51    55   3.62500 -1.0 2.0
   47    50    53    54   0.04000 -1.0 2.0
   47    50    53    57   0.54900  1.0 1.0
   47    50    53    57   1.90750 -1.0 2.0
   47    50    63    58   2.14300 -1.0 2.0
   48    47    50    53   1.00100  1.0 1.0
   48    47    50    53   0.85050 -1.0 2.0
   48    47    50    63   0.96250 -1.0 2.0
   48    51   -55    44   3.62500 -1.0 2.0
   48    51    55    56   3.62500 -1.0 2.0
   49    48    51    52   3.62500 -1.0 2.0
   49    48    51    55   3.62500 -1.0 2.0
   52    51    55    44   3.62500 -1.0 2.0
   52    51    55    56   3.62500 -1.0 2.0
   55    44    45    46   3.62500 -1.0 2.0
   55    44   -45    47   3.62500 -1.0 2.0
   50    47    48    49   3.62500 -1.0 2.0
   50    47    48    51   3.62500 -1.0 2.0
   50    53   -57    58   4.59200  1.0 1.0
   50    53   -57    58   0.41200 -1.0 2.0
   50    53    57    59   4.56800  1.0 1.0
   50    53    57    59   0.31650 -1.0 2.0
   53    50   -63    58   1.42450 -1.0 2.0
   53    57   -58    63  -0.56400  1.0 1.0
   53    57   -58    63   0.77500 -1.0 2.0
   53    57   -58    63   0.18700  1.0 3.0
   53    57    58    64  -0.45200  1.0 1.0
   53    57    58    64   0.85900 -1.0 2.0
   53    57    58    64   0.16650  1.0 3.0
   53    57    59    60  -0.42300  1.0 1.0
   53    57    59    60  -0.07000 -1.0 2.0
   53    57    59    60   0.04150  1.0 3.0
   53    57    59    61  -0.42300  1.0 1.0
   53    57    59    61  -0.07000 -1.0 2.0
   53    57    59    61   0.04150  1.0 3.0
   53    57    59    62   0.00000  1.0 1.0
   54    53    57    58   2.67200 -1.0 2.0
   54    53    57    59   3.04450 -1.0 2.0
   57    58   -63    50   6.00000 -1.0 2.0
   57    58    64    65  -0.18050  1.0 3.0
   57    58    64    66  -0.18050  1.0 3.0
   57    58    64    67  -0.18050  1.0 3.0
   58    57    59    60   0.17850 -1.0 2.0
   58    57    59    61   0.17850 -1.0 2.0
   58    57    59    62   0.00000  1.0 1.0
   63    50    53    54  -0.75150  1.0 1.0
   63    50    53    54   0.83450 -1.0 2.0
   63    50   -53    57   0.63000  1.0 1.0
   63    50   -53    57   1.73150 -1.0 2.0
   63    58    64    65   0.00000  1.0 1.0
   63    58    64    66   0.00000  1.0 1.0
   63    58    64    67   0.00000  1.0 1.0
   64    58    63    50   6.00000 -1.0 2.0
   59    57    58    63   1.00000 -1.0 2.0
   59    57    58    64   1.00000 -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
   36    30    35    37  10.50000 -1.0 2.0
   39    33    38    40  10.50000 -1.0 2.0
   45    55    44    41   4.00000 -1.0 2.0
   47    46    45    44   1.10000 -1.0 2.0
   48    50    47    45   4.00000 -1.0 2.0
   51    49    48    47   4.00000 -1.0 2.0
   55    52    51    48   1.10000 -1.0 2.0
   51    56    55    44   4.00000 -1.0 2.0
   63    53    50    47   1.00000 -1.0 2.0
   50    57    53    54  10.50000 -1.0 2.0
   59    53    57    58   1.00000 -1.0 2.0
   57    64    58    63  10.50000 -1.0 2.0
END
