* LIGAND DATABASE FILE (OPLS2005)
*
001      53    54     97    148     282
    1     0 S   NP   _N1_     1    28.78568    95.78101   -23.25840
    2     1 S   H    _HN1     2     1.02949    76.04086     9.95475
    3     1 S   H    _H1_     3     1.02828    34.07538   165.12336
    4     1 S   H    _H2_     4     1.02788   105.41919   -95.60955
    5     1 S   CT   _CA1     5     1.50115   136.54421   115.02601
    6     5 S   HC   _HA1     6     1.09573   105.18598    86.60918
    7     5 S   CO3  _C1_     7     1.53783   112.48194   -33.62205
    8     7 S   O2Z  _O11     8     1.26373   115.00748   -42.15388
    9     7 S   O2Z  _O12     9     1.26240   114.94721   136.96523
   10     5 S   CT   _CB1    10     1.53075   107.41850  -155.40060
   11    10 S   HC   HB11    11     1.09835   109.36309   -49.56892
   12    10 S   HC   HB12    12     1.09812   110.45143    67.03765
   13    10 S   CT   _CG1    13     1.52997   112.61586  -170.53361
   14    13 S   HC   HG11    14     1.09578   110.66085   -66.13424
   15    13 S   HC   HG12    15     1.09671   109.75790    53.10383
   16    13 S   C    _CD1    16     1.51801   112.17378   173.56825
   17    16 S   O    _OE1    17     1.22735   123.26047     8.45243
   18    16 S   N    _N2_    18     1.38658   111.70907  -171.62987
   19    18 S   H    _HN2    19     1.01575   118.93191     1.69339
   20    18 S   CT1  _CA2    20     1.46219   123.38919   177.14720
   21    20 S   HC   _HA2    21     1.09740   109.36639     4.36942
   22    20 S   C    _C2_    22     1.53616   108.50202  -111.07080
   23    22 S   O    _O2_    23     1.23060   122.32520  -147.03620
   24    20 S   CT   _CB2    32     1.53462   111.72203   126.37707
   25    24 S   HC   HB21    33     1.09550   109.69120    56.05338
   26    24 S   HC   HB22    34     1.09197   109.72009   174.53342
   27    22 S   N    _N3_    24     1.38344   113.71638    40.33543
   28    27 S   H    _HN3    25     1.01571   119.60793    -3.07313
   29    24 S   S    _SG2    35     1.82866   111.27983   -63.87257
   30    27 S   CT   _CA3    26     1.45289   123.23336   177.23863
   31    30 S   HC   HA31    27     1.09548   107.48945   -65.19778
   32    30 S   HC   HA32    28     1.09556   108.01243    51.24942
   33    29 S   CT   _C7_    36     1.86685   102.33740  -160.38533
   34    30 S   CO3  _C3_    29     1.52968   114.07284   173.26559
   35    34 S   O2Z  _O31    30     1.26378   116.07884    -0.62213
   36    34 S   O2Z  _O32    31     1.26429   114.41597   179.44327
   37    33 S   CM   _C6_    37     1.49474   105.84742  -157.42358
   38    37 S   CM   _C5_    38     1.33973   122.50680   -98.09183
   39    38 S   HC   _H6_    39     1.08518   120.51169  -176.00796
   40    37 S   OS   _O34    48     1.38463   113.72708    89.77933
   41    38 S   CT   _C4_    40     1.50349   121.03174     0.39167
   42    41 S   HC   _H4_    41     1.09431   109.79815   126.87796
   43    41 S   HC   _H5_    42     1.09548   109.63615  -114.81209
   44    40 S   CO4  _C9_    49     1.37190   104.39587    15.98840
   45    44 S   O    _O33    50     1.22334   123.77591  -178.85278
   46    41 S   OS   _O35    43     1.43632   113.80291     6.53618
   47    33 S   CT   _C8_    51     1.51125   114.07538   -50.27161
   48    47 S   HC   _H7_    52     1.09663   112.26246   160.29722
   49    47 S   HC   _H8_    53     1.09067   114.72789    35.78619
   50    33 S   CO   _C10    44     1.54279   113.29901    84.45211
   51    50 S   HC   _H3_    45     1.09912   110.83184  -179.12553
   52    50 S   OH   _O36    46     1.42022   111.13809   -60.62971
   53    52 S   HO   _H9_    47     0.97204   106.87873  -161.45134
  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  12   5   4   3
  15   2   1   1  15   9   5   7   6   3   2   5   3   5   5   2
   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    47    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    50    51    52    40    44    47    48    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    46    50    51    52    53    40    44    45    47    48    49  
   35    36  
   36  
    0  
   38    39    41    42    43    46    50    51    52    40    44    45    47    48    49  
   39    41    42    43    46    50    40    44    47  
   41    42    43    46    40  
   44    45    47    48    49    41    50  
   42    43    46    50    51    52  
   43    46    50  
   46    50  
   45    47    48    49    50  
   47    48    49  
   50    51    52    53    47  
   48    49    50    51    52  
   49    50  
   50  
   51    52    53  
   52    53  
   53  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   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   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   41   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.030000   1.4250   1.2500   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   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   53   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    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   222.000  1.810
   33    37   317.000  1.510
   33    50   250.000  1.527
   33    47   268.000  1.529
   37    38   549.000  1.340
   37    40   440.000  1.360
   38    39   340.000  1.080
   38    41   317.000  1.510
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   320.000  1.410
   46    50   320.000  1.380
   50    51   340.000  1.090
   50    52   380.000  1.407
   52    53   553.000  0.945
   40    44   214.000  1.327
   44    45   570.000  1.229
   44    47   317.000  1.522
   47    48   340.000  1.090
   47    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    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   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    37    75.00000  112.20000
   29    33    50    75.00000  111.63000
   29    33    47    75.00000  111.63000
   33    37    38    70.00000  124.00000
   33    37    40    85.00000  112.85300
   33    50    46    90.00000  108.56700
   33    50    51    45.00000  112.01100
   33    50    52    90.00000  110.19100
   33    47    44    63.00000  111.10000
   33    47    48    37.50000  110.70000
   33    47    49    37.50000  110.70000
   37    38    39    35.00000  120.00000
   37    38    41    70.00000  124.00000
   37    40    44    90.00000  114.22900
   38    41    42    35.00000  109.50000
   38    41    43    35.00000  109.50000
   38    41    46    85.00000  110.90400
   41    38    39    35.00000  117.00000
   41    46    50    60.00000  109.50000
   43    41    42    33.00000  107.80000
   46    41    42    35.00000  109.50000
   46    41    43    35.00000  109.50000
   46    50    51    35.00000  109.50000
   46    50    52   110.00000  112.08000
   50    33    37    70.00000  112.02700
   50    52    53    70.00000  107.92000
   52    50    51    60.00000  108.02500
   40    37    38    80.00000  120.01400
   40    44    45    83.00000  123.40000
   40    44    47    81.00000  111.40000
   44    47    48    35.00000  109.50000
   44    47    49    35.00000  109.50000
   47    33    37    70.00000  112.02700
   47    33    50    75.00000  109.43000
   47    44    45    80.00000  120.40000
   49    47    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    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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    37    38   0.42700  1.0 1.0
   29    33    37    38  -0.70350 -1.0 2.0
   29    33    37    38  -0.43150  1.0 3.0
   29    33    37    40   0.09700  1.0 1.0
   29    33    37    40   0.15600 -1.0 2.0
   29    33    37    40  -0.50800  1.0 3.0
   29    33    50    46   0.56750  1.0 1.0
   29    33    50    46  -0.07550 -1.0 2.0
   29    33    50    46   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    52   0.56750  1.0 1.0
   29    33    50    52  -0.07550 -1.0 2.0
   29    33    50    52   0.20000  1.0 3.0
   29    33    47    44   0.56750  1.0 1.0
   29    33    47    44  -0.07550 -1.0 2.0
   29    33    47    44   0.20000  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    49   0.15000  1.0 3.0
   33    37    38    39   7.00000 -1.0 2.0
   33    37    38    41   7.00000 -1.0 2.0
   33    37   -40    44   2.00000 -1.0 2.0
   33    50    52    53  -0.11600  1.0 1.0
   33    50    52    53  -0.09450 -1.0 2.0
   33    50    52    53   0.21250  1.0 3.0
   37    33    50    46   0.61850  1.0 1.0
   37    33    50    46  -0.22750 -1.0 2.0
   37    33    50    46   0.15300  1.0 3.0
   37    33    50    51   0.15000  1.0 3.0
   37    33    50    52   1.05650  1.0 1.0
   37    33    50    52   0.15600 -1.0 2.0
   37    33    50    52   0.53150  1.0 3.0
   37    33   -47    44  -0.98800  1.0 1.0
   37    33   -47    44   0.48800 -1.0 2.0
   37    33   -47    44   0.76800  1.0 3.0
   37    33    47    48   0.15000  1.0 3.0
   37    33    47    49   0.15000  1.0 3.0
   37    38    41    42   0.00000  1.0 1.0
   37    38    41    43   0.00000  1.0 1.0
   37    38   -41    46   0.39000  1.0 1.0
   37    38   -41    46  -0.05800 -1.0 2.0
   37    38   -41    46  -0.55150  1.0 3.0
   37    40    44    45   3.00000 -1.0 2.0
   37    40   -44    47   0.82650  1.0 1.0
   37    40   -44    47   1.69000 -1.0 2.0
   38    37    40    44  -1.93650  1.0 1.0
   38    37    40    44   2.17750 -1.0 2.0
   38    37    40    44  -0.40250  1.0 3.0
   38    41    46    50  -0.77900  1.0 1.0
   38    41    46    50  -0.36900 -1.0 2.0
   38    41    46    50   0.40400  1.0 3.0
   39    38    41    42   0.33100  1.0 3.0
   39    38    41    43   0.33100  1.0 3.0
   39    38    41    46   0.00000  1.0 1.0
   41    46   -50    33   0.06250  1.0 1.0
   41    46   -50    33  -0.01100 -1.0 2.0
   41    46   -50    33   0.28050  1.0 3.0
   41    46    50    51   0.37050  1.0 3.0
   41    46    50    52  -0.81800  1.0 1.0
   42    41    46    50   0.37050  1.0 3.0
   43    41    46    50   0.37050  1.0 3.0
   46    50    52    53  -0.50000  1.0 1.0
   46    50    52    53  -0.73950 -1.0 2.0
   46    50    52    53   0.17150  1.0 3.0
   50    33   -37    38   0.09850  1.0 1.0
   50    33   -37    38   0.15250 -1.0 2.0
   50    33   -37    38  -0.50650  1.0 3.0
   50    33    37    40   0.09700  1.0 1.0
   50    33    37    40   0.15600 -1.0 2.0
   50    33    37    40  -0.50800  1.0 3.0
   50    33    47    44  -0.95700  1.0 1.0
   50    33    47    44  -0.18200 -1.0 2.0
   50    33    47    44   0.29450  1.0 3.0
   50    33    47    48   0.15000  1.0 3.0
   50    33    47    49   0.15000  1.0 3.0
   51    50    52    53   0.19450  1.0 3.0
   40    37    38    39   7.00000 -1.0 2.0
   40    37    38    41   7.00000 -1.0 2.0
   40    44   -47    33   0.36750  1.0 3.0
   40    44    47    48   0.00000  1.0 1.0
   40    44    47    49   0.00000  1.0 1.0
   45    44    47    33   0.30150 -1.0 2.0
   45    44    47    48   0.00000  1.0 1.0
   45    44    47    49   0.00000  1.0 1.0
   47    33    37    38   0.09850  1.0 1.0
   47    33    37    38   0.15250 -1.0 2.0
   47    33    37    38  -0.50650  1.0 3.0
   47    33   -37    40   0.09700  1.0 1.0
   47    33   -37    40   0.15600 -1.0 2.0
   47    33   -37    40  -0.50800  1.0 3.0
   47    33    50    46   0.62750  1.0 1.0
   47    33    50    46  -0.30950 -1.0 2.0
   47    33    50    46   0.27300  1.0 3.0
   47    33    50    51   0.15000  1.0 3.0
   47    33    50    52   0.86500  1.0 1.0
   47    33    50    52  -0.17500 -1.0 2.0
   47    33    50    52   0.20800  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
   33    40    37    38   1.10000 -1.0 2.0
   41    39    38    37   1.10000 -1.0 2.0
   40    47    44    45  10.50000 -1.0 2.0
END
