* LIGAND DATABASE FILE (OPLS2005)
*
001      57    57    101    145     290
    1     0 S   NP   _N1_     1    28.08545    96.17419   -23.10687
    2     1 S   H    _HN1     2     1.02957    79.98846    -9.95874
    3     1 S   H    _H1_     3     1.02835    29.92074   144.75150
    4     1 S   H    _H2_     4     1.02777   105.58439  -116.35741
    5     1 S   CT   _CA1     5     1.50144   134.10570    98.81048
    6     5 S   HC   _HA1     6     1.09576   105.19577    81.75877
    7     5 S   CO3  _C1_     7     1.53769   112.29800   -38.39522
    8     7 S   O2Z  _O11     8     1.26367   114.99072   -44.94685
    9     7 S   O2Z  _O12     9     1.26228   114.92332   133.99685
   10     5 S   CT   _CB1    10     1.53081   107.40314  -160.37530
   11    10 S   HC   HB11    11     1.09831   109.28810   -50.41747
   12    10 S   HC   HB12    12     1.09814   110.45603    66.11762
   13    10 S   CT   _CG1    13     1.53040   112.70516  -171.46475
   14    13 S   HC   HG11    14     1.09590   110.53790   -65.34381
   15    13 S   HC   HG12    15     1.09659   109.88227    53.87801
   16    13 S   C    _CD1    16     1.51855   112.20708   174.22185
   17    16 S   O    _OE1    17     1.22774   123.23954     2.98347
   18    16 S   N    _N2_    18     1.38539   111.81634  -176.97832
   19    18 S   H    _HN2    19     1.01564   119.22822     3.17040
   20    18 S   CT1  _CA2    20     1.45840   122.79734   177.73540
   21    20 S   HC   _HA2    21     1.09743   108.77991    27.14978
   22    20 S   C    _C2_    22     1.53013   107.12422   -89.73840
   23    22 S   O    _O2_    23     1.22984   123.14061   -25.31497
   24    20 S   CT   _CB2    32     1.53181   112.35686   150.32040
   25    24 S   HC   HB21    33     1.09567   110.10626    54.84158
   26    24 S   HC   HB22    34     1.09489   109.79801   173.63582
   27    22 S   N    _N3_    24     1.38539   112.55112   157.14681
   28    27 S   H    _HN3    25     1.01661   120.29425    -1.74675
   29    24 S   S    _SG2    35     1.82835   111.05151   -66.30387
   30    27 S   CT   _CA3    26     1.45343   122.47439   178.65157
   31    30 S   HC   HA31    27     1.09570   107.79027   -55.57078
   32    30 S   HC   HA32    28     1.09561   107.61887    60.74458
   33    29 S   CT   _C9_    36     1.84085   100.14090  -179.03653
   34    33 S   OM   _O34    37     1.31575   111.01597   -73.40118
   35    30 S   CO3  _C3_    29     1.52884   114.37087  -177.52535
   36    35 S   O2Z  _O31    30     1.26333   116.09378    -1.79907
   37    35 S   O2Z  _O32    31     1.26442   114.40409   178.18038
   38    33 S   CM   _C8_    38     1.50153   109.45361   164.03396
   39    38 S   CMA  _C7_    39     1.34469   111.99655  -112.54418
   40    39 S   OM   _O39    40     1.25750   136.96257   173.59017
   41    38 S   OS   _O35    53     1.37817   119.17577    61.98095
   42    39 S   CT   _C6_    41     1.51417   107.27244    -3.51580
   43    42 S   HC   _H4_    42     1.09923   109.71246   114.05296
   44    41 S   SY   _S1_    54     1.64122   124.16328   137.27303
   45    44 S   OY   _O38    55     1.46266   104.69601    90.25079
   46    44 S   OY   _O36    56     1.46311   106.02806   -31.51224
   47    44 S   OY   _O37    57     1.46441   103.17348  -150.97068
   48    33 S   OS   _O33    43     1.44106   110.85560    49.32854
   49    42 S   CT   _C5_    44     1.54657   116.31114  -121.43506
   50    49 S   HC   _H3_    45     1.09622   110.86482   -60.05103
   51    49 S   CT   _C4_    46     1.52941   111.27277   178.04595
   52    51 S   HC   _H5_    47     1.09498   111.35280   -73.01929
   53    51 S   HC   _H6_    48     1.09440   111.06754    49.36264
   54    49 S   OH   _O40    51     1.43269   110.93615    58.57425
   55    54 S   HO   _H7_    52     0.97367   107.25246   -49.87806
   56    51 S   OH   _O41    49     1.42605   109.39826   168.12909
   57    56 S   HO   _H8_    50     0.97203   106.84556   177.43250
  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   7   5   4   3
  10   5   2   1   1  11  10   5   6  10   5   3   2   1   1   4
   8   6   6   4   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    48    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    48    49    41    44  
   38    39    42    48    41  
   36    37  
   37  
    0  
   39    40    42    43    48    49    41    44    45    46    47  
   40    42    43    48    49    50    51    54    41    44  
   42    43    48    49    41  
   44    45    46    47    42    48  
   43    48    49    50    51    52    53    56    54    55  
   48    49    50    51    54  
   45    46    47  
   46    47  
   47  
    0  
   49    50    51    54  
   50    51    52    53    56    57    54    55  
   51    52    53    56    54    55  
   52    53    56    57    54    55  
   53    56    57    54  
   56    57    54  
   55    56  
    0  
   57  
    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  -0.316400   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   0.640400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   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  -0.585200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   2.9000   0.1400  -0.414200   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.2500   1.628500   2.0025   1.7750   0.025682759  -1.666211680
   45   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   46   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   47   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   48   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    48   320.000  1.410
   38    39   465.000  1.376
   38    41   440.000  1.360
   39    40   745.000  1.250
   39    42   270.000  1.512
   42    43   340.000  1.090
   42    48   320.000  1.410
   42    49   268.000  1.529
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    54   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   320.000  1.410
   56    57   553.000  0.945
   54    55   553.000  0.945
   41    44   335.000  1.682
   44    45   735.000  1.471
   44    46   735.000  1.471
   44    47   735.000  1.471
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    48    85.00000  114.68000
   33    38    39    70.00000  124.00000
   33    38    41    85.00000  112.85300
   33    48    42    60.00000  109.50000
   38    33    34    85.00000  110.90400
   38    39    40    65.00000  137.10300
   38    39    42    65.00000  122.18000
   38    41    44    95.00000  114.00000
   39    42    43    45.00000  110.52000
   39    42    48    85.00000  110.90400
   39    42    49    70.00000  112.02700
   42    39    40    85.00000  112.85300
   42    49    50    37.50000  110.70000
   42    49    51    58.35000  112.70000
   42    49    54    50.00000  109.50000
   48    33    34   110.00000  112.65000
   48    33    38    85.00000  110.90400
   48    42    43    35.00000  109.50000
   49    42    43    37.50000  110.70000
   49    42    48    50.00000  109.50000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    56    50.00000  109.50000
   49    54    55    55.00000  108.50000
   51    49    50    37.50000  110.70000
   51    56    57    55.00000  108.50000
   53    51    52    33.00000  107.80000
   56    51    52    35.00000  109.50000
   56    51    53    35.00000  109.50000
   54    49    50    35.00000  109.50000
   54    49    51    50.00000  109.50000
   41    38    39    80.00000  120.01400
   41    44    45   135.00000  106.70400
   41    44    46   135.00000  106.70400
   41    44    47   135.00000  106.70400
   46    44    45   115.00000  120.17200
   47    44    45   115.00000  120.17200
   47    44    46   115.00000  120.17200
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    48   0.13850  1.0 1.0
   24    29    33    48  -1.34450 -1.0 2.0
   24    29    33    48   0.57400  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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    48    42   0.14700  1.0 1.0
   29    33    48    42  -1.16150 -1.0 2.0
   29    33    48    42   0.48700  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38   -39    42   7.00000 -1.0 2.0
   33    38    41    44   2.00000 -1.0 2.0
   34    33    38    39   0.39000  1.0 1.0
   34    33    38    39  -0.05800 -1.0 2.0
   34    33    38    39  -0.55150  1.0 3.0
   34    33    38    41   0.09700  1.0 1.0
   34    33    38    41   0.15600 -1.0 2.0
   34    33    38    41  -0.50800  1.0 3.0
   34    33    48    42  -0.11650  1.0 1.0
   34    33    48    42  -1.14850 -1.0 2.0
   34    33    48    42   0.58850  1.0 3.0
   38    33   -48    42  -0.77900  1.0 1.0
   38    33   -48    42  -0.36900 -1.0 2.0
   38    33   -48    42   0.40400  1.0 3.0
   38    39    42    43   0.00000  1.0 1.0
   38    39   -42    48   0.39000  1.0 1.0
   38    39   -42    48  -0.05800 -1.0 2.0
   38    39   -42    48  -0.55150  1.0 3.0
   38    39    42    49   0.09850  1.0 1.0
   38    39    42    49   0.15250 -1.0 2.0
   38    39    42    49  -0.50650  1.0 3.0
   38    41    44    45   0.29800  1.0 3.0
   38    41    44    46   0.29800  1.0 3.0
   38    41    44    47   0.29800  1.0 3.0
   39    38    41    44   2.00000 -1.0 2.0
   39    42   -48    33  -0.77900  1.0 1.0
   39    42   -48    33  -0.36900 -1.0 2.0
   39    42   -48    33   0.40400  1.0 3.0
   39    42    49    50   0.15000  1.0 3.0
   39    42    49    51   0.34400  1.0 1.0
   39    42    49    51   0.09450 -1.0 2.0
   39    42    49    51   0.11100  1.0 3.0
   39    42    49    54   1.05650  1.0 1.0
   39    42    49    54   0.15600 -1.0 2.0
   39    42    49    54   0.53150  1.0 3.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    48   0.09700  1.0 1.0
   40    39    42    48   0.15600 -1.0 2.0
   40    39    42    48  -0.50800  1.0 3.0
   40    39    42    49   0.09700  1.0 1.0
   40    39    42    49   0.15600 -1.0 2.0
   40    39    42    49  -0.50800  1.0 3.0
   42    49    51    52   0.15000  1.0 3.0
   42    49    51    53   0.15000  1.0 3.0
   42    49    51    56   0.86500  1.0 1.0
   42    49    51    56  -0.17500 -1.0 2.0
   42    49    51    56   0.20800  1.0 3.0
   42    49    54    55  -0.11600  1.0 1.0
   42    49    54    55  -0.09450 -1.0 2.0
   42    49    54    55   0.21250  1.0 3.0
   43    42    48    33   0.37050  1.0 3.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    51   0.15000  1.0 3.0
   43    42    49    54   0.23400  1.0 3.0
   48    33   -38    39   0.39000  1.0 1.0
   48    33   -38    39  -0.05800 -1.0 2.0
   48    33   -38    39  -0.55150  1.0 3.0
   48    33    38    41   0.09700  1.0 1.0
   48    33    38    41   0.15600 -1.0 2.0
   48    33    38    41  -0.50800  1.0 3.0
   48    42    49    50   0.23400  1.0 3.0
   48    42    49    51   0.62750  1.0 1.0
   48    42    49    51  -0.30950 -1.0 2.0
   48    42    49    51   0.27300  1.0 3.0
   48    42    49    54   3.69350  1.0 1.0
   48    42    49    54  -1.82950 -1.0 2.0
   49    42    48    33   0.06250  1.0 1.0
   49    42    48    33  -0.01100 -1.0 2.0
   49    42    48    33   0.28050  1.0 3.0
   49    51    56    57  -0.11600  1.0 1.0
   49    51    56    57  -0.09450 -1.0 2.0
   49    51    56    57   0.21250  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    56   0.23400  1.0 3.0
   50    49    54    55   0.19450  1.0 3.0
   51    49    54    55  -0.11600  1.0 1.0
   51    49    54    55  -0.09450 -1.0 2.0
   51    49    54    55   0.21250  1.0 3.0
   52    51    56    57   0.19450  1.0 3.0
   53    51    56    57   0.19450  1.0 3.0
   54    49    51    52   0.23400  1.0 3.0
   54    49    51    53   0.23400  1.0 3.0
   54    49    51    56   3.75450  1.0 1.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    42   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   42    40    39    38   1.10000 -1.0 2.0
END
