* LIGAND DATABASE FILE (OPLS2005)
*
001      61    61    105    159     308
    1     0 S   NP   _N1_     1    30.19125    93.48522   -17.22447
    2     1 S   H    _HN1     2     1.03016   129.19418   112.13570
    3     1 S   H    _H1_     3     1.02821    22.18957   106.76658
    4     1 S   H    _H2_     4     1.02776    98.70981   -10.02843
    5     1 S   CT   _CA1     5     1.50205    97.35918  -123.97971
    6     5 S   HC   _HA1     6     1.09563   105.33972    41.84351
    7     5 S   CO3  _C1_     7     1.53811   112.42868   -78.44268
    8     7 S   O2Z  _O11     8     1.26357   115.07769   -41.24408
    9     7 S   O2Z  _O12     9     1.26238   114.93432   137.97479
   10     5 S   CT   _CB1    10     1.52922   107.12641   159.75813
   11    10 S   HC   HB11    11     1.09858   109.49176   -51.94066
   12    10 S   HC   HB12    12     1.09600   109.96875    63.90305
   13    10 S   CT   _CG1    13     1.52979   113.35939  -173.28011
   14    13 S   HC   HG11    14     1.09549   111.40569   -62.28791
   15    13 S   HC   HG12    15     1.09574   110.73926    57.27866
   16    13 S   C    _CD1    16     1.51422   109.80715   176.99560
   17    16 S   O    _OE1    17     1.22796   121.77764   -98.78403
   18    16 S   N    _N2_    18     1.38440   112.70194    79.30417
   19    18 S   H    _HN2    19     1.01552   119.04000     4.91892
   20    18 S   CT1  _CA2    20     1.46139   123.44560  -174.91331
   21    20 S   HC   _HA2    21     1.09718   109.40215    -7.01190
   22    20 S   C    _C2_    22     1.53340   108.52162  -123.04010
   23    22 S   O    _O2_    23     1.23031   122.17358  -144.93164
   24    20 S   CT   _CB2    32     1.53460   111.35787   114.79508
   25    24 S   HC   HB21    33     1.09522   109.81265    59.85850
   26    24 S   HC   HB22    34     1.09572   110.29412   178.15252
   27    22 S   N    _N3_    24     1.38478   113.47809    42.30971
   28    27 S   H    _HN3    25     1.01517   118.99722    -0.35608
   29    24 S   S    _SG2    35     1.82909   111.78028   -61.64658
   30    27 S   CT   _CA3    26     1.45430   123.26092   175.38616
   31    30 S   HC   HA31    27     1.09538   108.99886    28.64461
   32    30 S   HC   HA32    28     1.09490   107.17078   145.59615
   33    29 S   CA   _C15    36     1.79830    99.42387   175.69739
   34    30 S   CO3  _C3_    29     1.52938   113.32174   -94.67782
   35    34 S   O2Z  _O31    30     1.26386   115.50307   -42.65622
   36    34 S   O2Z  _O32    31     1.26373   114.91831   138.30924
   37    33 S   CA   _C10    37     1.41194   121.56247   -78.08309
   38    37 S   CA   _C11    38     1.40345   120.98976  -179.86152
   39    38 S   HA   _H11    39     1.08803   120.35740   179.02141
   40    37 S   C    _C9_    46     1.48394   122.29507    -1.03552
   41    40 S   O    _O33    47     1.22475   119.52385   -57.51839
   42    38 S   CA   _C12    40     1.39100   119.76100    -0.23407
   43    42 S   Cl   Cl2_    41     1.72176   119.77673  -179.96574
   44    40 S   N    _N4_    48     1.38505   113.74159   122.59251
   45    44 S   H    _H10    49     1.01604   117.93364    -2.05443
   46    42 S   CA   _C13    42     1.39158   120.42329     0.24787
   47    46 S   HA   _H12    43     1.08802   119.89142   179.89165
   48    44 S   CT   _C5_    50     1.47124   125.36370  -177.76559
   49    33 S   CA   _C14    44     1.41017   120.52237   102.08502
   50    49 S   Cl   Cl1_    45     1.73459   122.51786    -0.22555
   51    48 S   CZ   _C7_    51     1.48335   107.76904  -175.51625
   52    48 S   CT   _C4_    54     1.53474   110.28321    66.14931
   53    52 S   HC   _H3_    55     1.09311   111.52844   -62.94436
   54    52 S   HC   _H4_    56     1.09694   111.25710    56.74293
   55    52 S   HC   _H5_    57     1.09643   111.46750   176.69405
   56    48 S   CT   _C6_    58     1.53639   111.43073   -56.64569
   57    56 S   HC   _H6_    59     1.09465   112.07836    65.85884
   58    56 S   HC   _H7_    60     1.09679   111.28746  -174.10286
   59    56 S   HC   _H8_    61     1.09680   111.14483   -54.35565
   60    51 S   CZ   _C8_    52     1.20107   179.92338   -24.53217
   61    60 S   HC   _H9_    53     1.06504   179.93147  -151.29886
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   7   5   4   3
  11   2   1   1  12   9   4   9   3   5   3  12   4   3   2  11
   1   1  10   8   3   2   1   4   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    49    50    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    46    47    49    50    40    41    44  
   35    36  
   36  
    0  
   38    39    42    43    46    49    50    40    41    44    45    48  
   39    42    43    46    47    49    40    41    44  
   42    43    46    40  
   41    44    45    48    51    52    56    42    49  
   44    45    48  
   43    46    47    49    50  
   46    47    49  
   45    48    51    60    52    53    54    55    56    57    58    59  
   48    51    52    56  
   47    49    50  
   49    50  
   51    60    61    52    53    54    55    56    57    58    59  
   50  
    0  
   60    61    52    53    54    55    56    57    58    59  
   53    54    55    56    57    58    59    60  
   54    55    56  
   55    56  
   56  
   57    58    59    60  
   58    59  
   59  
    0  
   61  
    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  -0.320000   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   3.5500   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   39   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   40   3.7500   0.1050   0.615000   1.9250   1.7000   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   42   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   44   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   45   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   51   3.6500   0.1500   0.010000   2.0580   1.8250   0.025318638  -1.264311570
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.6500   0.1500  -0.210000   2.0580   1.8250   0.025318638  -1.264311570
   61   2.4200   0.0300   0.200000   1.3810   1.2100   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   250.000  1.760
   33    37   469.000  1.400
   33    49   469.000  1.400
   37    38   469.000  1.400
   37    40   400.000  1.490
   38    39   367.000  1.080
   38    42   469.000  1.400
   42    43   300.000  1.725
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    50   300.000  1.725
   40    41   570.000  1.229
   40    44   490.000  1.335
   44    45   434.000  1.010
   44    48   337.000  1.449
   48    51   390.000  1.470
   48    52   268.000  1.529
   48    56   268.000  1.529
   51    60   985.000  1.221
   60    61   410.000  1.067
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000  104.20000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    85.00000  119.40000
   29    33    49    85.00000  119.40000
   33    37    38    63.00000  120.00000
   33    37    40    85.00000  120.00000
   33    49    46    63.00000  120.00000
   33    49    50    75.00000  120.00000
   37    38    39    35.00000  120.00000
   37    38    42    63.00000  120.00000
   37    40    41    80.00000  120.40000
   37    40    44    75.00000  113.92100
   38    42    43    75.00000  120.00000
   38    42    46    63.00000  120.00000
   42    38    39    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    75.00000  120.00000
   46    49    50    75.00000  120.00000
   49    33    37    63.00000  120.00000
   49    46    47    35.00000  120.00000
   40    37    38    85.00000  120.00000
   40    44    45    35.00000  119.80000
   40    44    48    50.00000  121.90000
   44    40    41    80.00000  122.90000
   44    48    51    80.00000  111.92500
   44    48    52    70.00000  110.72300
   44    48    56    70.00000  110.72300
   48    44    45    38.00000  118.40000
   48    51    60    30.00000  179.48800
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   48    52    55    37.50000  110.70000
   48    56    57    37.50000  110.70000
   48    56    58    37.50000  110.70000
   48    56    59    37.50000  110.70000
   51    60    61    20.00000  179.85100
   52    48    51    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   56    48    51    58.35000  112.70000
   56    48    52    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    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  -0.35400  1.0 1.0
   20    24    29    33  -0.24450 -1.0 2.0
   20    24    29    33   0.44000  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.63250 -1.0 2.0
   24    29    33    49   0.63250 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   3.62500 -1.0 2.0
   29    33    37    40   3.62500 -1.0 2.0
   29    33    49    46   3.62500 -1.0 2.0
   29    33    49    50   3.62500 -1.0 2.0
   33    37    38    39   3.62500 -1.0 2.0
   33    37    38    42   3.62500 -1.0 2.0
   33    37    40    41   1.05000 -1.0 2.0
   33    37    40    44   0.75700  1.0 1.0
   33    37    40    44   0.34650 -1.0 2.0
   33    37    40    44   0.33000  1.0 3.0
   33    37    40    44  -0.28100 -1.0 4.0
   37    33    49    46   3.62500 -1.0 2.0
   37    33    49    50   3.62500 -1.0 2.0
   37    38    42    43   3.62500 -1.0 2.0
   37    38   -42    46   3.62500 -1.0 2.0
   37    40    44    45   2.56700 -1.0 2.0
   37    40    44    48   1.49850  1.0 1.0
   37    40    44    48   1.53950 -1.0 2.0
   38    37    40    41   1.05000 -1.0 2.0
   38    37    40    44   0.75700  1.0 1.0
   38    37    40    44   0.34650 -1.0 2.0
   38    37    40    44   0.33000  1.0 3.0
   38    37    40    44  -0.28100 -1.0 4.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   39    38    42    43   3.62500 -1.0 2.0
   39    38    42    46   3.62500 -1.0 2.0
   42    46   -49    33   3.62500 -1.0 2.0
   42    46    49    50   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   47    46    49    33   3.62500 -1.0 2.0
   47    46    49    50   3.62500 -1.0 2.0
   49    33   -37    38   3.62500 -1.0 2.0
   49    33    37    40   3.62500 -1.0 2.0
   40    37    38    39   3.62500 -1.0 2.0
   40    37    38    42   3.62500 -1.0 2.0
   40    44    48    51  -0.42300  1.0 1.0
   40    44    48    51  -0.07000 -1.0 2.0
   40    44    48    51   0.04150  1.0 3.0
   40    44    48    52  -0.43950  1.0 1.0
   40    44    48    52  -0.08100 -1.0 2.0
   40    44    48    52   0.03350  1.0 3.0
   40    44    48    56  -0.43950  1.0 1.0
   40    44    48    56  -0.08100 -1.0 2.0
   40    44    48    56   0.03350  1.0 3.0
   41    40    44    45   2.45000 -1.0 2.0
   41    40    44    48   3.04450 -1.0 2.0
   44    48    51    60   0.00000  1.0 1.0
   44    48    52    53   0.15000  1.0 3.0
   44    48    52    54   0.15000  1.0 3.0
   44    48    52    55   0.15000  1.0 3.0
   44    48    56    57   0.15000  1.0 3.0
   44    48    56    58   0.15000  1.0 3.0
   44    48    56    59   0.15000  1.0 3.0
   45    44    48    51   0.00000  1.0 1.0
   45    44    48    52   0.00000  1.0 1.0
   45    44    48    56   0.00000  1.0 1.0
   48    51    60    61   0.00000  1.0 1.0
   51    48    52    53   0.15000  1.0 3.0
   51    48    52    54   0.15000  1.0 3.0
   51    48    52    55   0.15000  1.0 3.0
   51    48    56    57   0.15000  1.0 3.0
   51    48    56    58   0.15000  1.0 3.0
   51    48    56    59   0.15000  1.0 3.0
   52    48    51    60   0.00000  1.0 1.0
   52    48    56    57   0.15000  1.0 3.0
   52    48    56    58   0.15000  1.0 3.0
   52    48    56    59   0.15000  1.0 3.0
   56    48    51    60   0.00000  1.0 1.0
   56    48    52    53   0.15000  1.0 3.0
   56    48    52    54   0.15000  1.0 3.0
   56    48    52    55   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   37    49    33    29   4.00000 -1.0 2.0
   38    40    37    33   4.00000 -1.0 2.0
   42    39    38    37   1.10000 -1.0 2.0
   46    43    42    38   4.00000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   46    50    49    33   4.00000 -1.0 2.0
   37    44    40    41  10.50000 -1.0 2.0
   45    40    44    48   1.00000 -1.0 2.0
END
