* LIGAND DATABASE FILE (OPLS2005)
*
001      54    54     92    142     271
    1     0 S   NP   _N1_     1    28.83570    96.09031   -22.67536
    2     1 S   H    _HN1     2     1.02948    73.44367    10.11033
    3     1 S   H    _H1_     3     1.02826    38.63383   159.78746
    4     1 S   H    _H2_     4     1.02785   101.48270   -95.85842
    5     1 S   CT   _CA1     5     1.50117   141.85263   112.24763
    6     5 S   HC   _HA1     6     1.09573   105.18681    88.78869
    7     5 S   CO3  _C1_     7     1.53773   112.41995   -31.45129
    8     7 S   O2Z  _O11     8     1.26375   114.99991   -43.36232
    9     7 S   O2Z  _O12     9     1.26230   114.93760   135.68400
   10     5 S   CT   _CB1    10     1.53066   107.40973  -153.23756
   11    10 S   HC   HB11    11     1.09837   109.35929   -49.54422
   12    10 S   HC   HB12    12     1.09811   110.46675    67.05557
   13    10 S   CT   _CG1    13     1.53001   112.61835  -170.49296
   14    13 S   HC   HG11    14     1.09580   110.69455   -66.26723
   15    13 S   HC   HG12    15     1.09671   109.74440    52.97686
   16    13 S   C    _CD1    16     1.51810   112.09149   173.44611
   17    16 S   O    _OE1    17     1.22742   123.24265     9.67821
   18    16 S   N    _N2_    18     1.38627   111.73909  -170.47271
   19    18 S   H    _HN2    19     1.01609   119.00036     1.46780
   20    18 S   CT1  _CA2    20     1.46277   123.41127   177.18374
   21    20 S   HC   _HA2    21     1.09738   109.26973     5.33553
   22    20 S   C    _C2_    22     1.53639   109.31963  -110.16971
   23    22 S   O    _O2_    23     1.23070   122.10672  -153.83371
   24    20 S   CT   _CB2    32     1.53414   111.18623   127.22058
   25    24 S   HC   HB21    33     1.09425   109.30618    55.13987
   26    24 S   HC   HB22    34     1.09455   110.33123   174.12831
   27    22 S   N    _N3_    24     1.38279   113.98837    33.76174
   28    27 S   H    _HN3    25     1.01551   119.57242    -3.66858
   29    24 S   S    _SG2    35     1.83328   110.84171   -66.33173
   30    27 S   CT   _CA3    26     1.45274   123.26459   177.11934
   31    30 S   HC   HA31    27     1.09548   107.56108   -63.71510
   32    30 S   HC   HA32    28     1.09557   107.94597    52.73987
   33    29 S   CT   _C6_    36     1.84984   101.58471   167.29199
   34    33 S   HC   _H3_    37     1.09703   107.26802   176.23881
   35    30 S   CO3  _C3_    29     1.52965   114.03048   174.71676
   36    35 S   O2Z  _O31    30     1.26386   116.06670     0.22029
   37    35 S   O2Z  _O32    31     1.26427   114.42094  -179.74666
   38    33 S   CM   _C5_    38     1.51694   110.95695    57.89089
   39    38 S   CM   _C4_    39     1.34439   124.46749  -116.81631
   40    39 S   HC   _H4_    40     1.08518   123.93248  -177.84532
   41    38 S   NO2  _N5_    52     1.45700   117.90545    67.57186
   42    41 S   ON   _O39    53     1.23880   118.31970  -158.42313
   43    41 S   ON   _O38    54     1.23818   117.25532    21.30854
   44    39 S   CM   _C9_    41     1.45362   118.08118     0.31714
   45    44 S   CM   _C8_    42     1.45433   122.34599    -8.76518
   46    44 S   CMA  _C10    49     1.50832   116.49108   172.38150
   47    46 S   OM   _O34    50     1.26362   120.59053   108.37461
   48    46 S   OM   _O33    51     1.26315   120.69563   -72.81441
   49    33 S   CM   _C7_    43     1.51669   110.05130   -66.27532
   50    45 S   OH   _O35    47     1.37692   118.40352  -168.99860
   51    50 S   HO   _H5_    48     0.97503   108.04052     4.84432
   52    49 S   NO2  _N4_    44     1.44817   116.70288   -66.06181
   53    52 S   ON   _O37    45     1.23836   117.84138   129.94648
   54    52 S   ON   _O36    46     1.23795   116.87331   -48.32083
  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   8   5   4   3
  14   6   2   1   1  10  11   4   4   1   1   8   9   4   1   1
   5   2   1   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    45    49    52    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    49    52    53    54    50    41    42    43  
   38    39    45    49    52    41  
   36    37  
   37  
    0  
   39    40    44    45    49    52    46    41    42    43  
   40    44    45    49    50    46    47    48    41    42    43  
   44    45    46    41  
   42    43    44    49  
   43  
    0  
   45    49    52    50    51    46    47    48  
   49    52    53    54    50    51    46    47    48  
   47    48    49    50  
   48  
    0  
   52    53    54    50    51  
   51    52  
    0  
   53    54  
   54  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.290900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.2500   0.1200   0.449100   1.8650   1.6500   0.020864068  -0.347800883
   42   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   43   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   44   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   48   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   49   3.5500   0.0760   0.290900   2.0020   1.7750   0.023028004  -0.852763146
   50   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   52   3.2500   0.1200   0.449100   1.8650   1.6500   0.020864068  -0.347800883
   53   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   54   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
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  1.510
   33    49   317.000  1.510
   38    39   549.000  1.340
   38    41   325.000  1.425
   39    40   340.000  1.080
   39    44   380.000  1.444
   44    45   380.000  1.444
   44    46   465.000  1.376
   45    49   549.000  1.340
   45    50   510.000  1.338
   49    52   325.000  1.425
   52    53   550.000  1.225
   52    54   550.000  1.225
   50    51   553.000  0.945
   46    47   745.000  1.250
   46    48   745.000  1.250
   41    42   550.000  1.225
   41    43   550.000  1.225
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    49    75.00000  112.20000
   33    38    39    70.00000  124.00000
   33    38    41    70.00000  113.98000
   33    49    45    70.00000  124.00000
   33    49    52    70.00000  113.98000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  120.00000
   38    39    44    70.00000  123.01800
   38    41    42    90.00000  119.02900
   38    41    43    90.00000  119.02900
   39    44    45    70.00000  123.01800
   39    44    46    70.00000  117.34000
   44    39    40    35.00000  120.00000
   44    45    49    70.00000  123.01800
   44    45    50    80.00000  121.38400
   44    46    47    65.00000  137.10300
   44    46    48    65.00000  137.10300
   45    49    52    70.00000  118.30600
   45    50    51    70.00000  107.45700
   49    33    34    35.00000  109.50000
   49    33    38    70.00000  110.12100
   49    52    53    90.00000  119.02900
   49    52    54    90.00000  119.02900
   54    52    53    80.00000  125.30000
   50    45    49    80.00000  121.38400
   46    44    45    70.00000  117.34000
   48    46    47    65.00000  121.00000
   41    38    39    70.00000  118.30600
   43    41    42    80.00000  125.30000
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  -0.62250  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    49  -0.62250  1.0 1.0
   24    29    33    49  -0.38450 -1.0 2.0
   24    29    33    49   0.81900  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    49    45   0.42700  1.0 1.0
   29    33    49    45  -0.70350 -1.0 2.0
   29    33    49    45  -0.43150  1.0 3.0
   29    33    49    52   0.09700  1.0 1.0
   29    33    49    52   0.15600 -1.0 2.0
   29    33    49    52  -0.50800  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    44   7.00000 -1.0 2.0
   33    38    41    42   0.01550  1.0 1.0
   33    38    41    42   0.69950 -1.0 2.0
   33    38    41    42   0.02600  1.0 3.0
   33    38    41    43   0.01550  1.0 1.0
   33    38    41    43   0.69950 -1.0 2.0
   33    38    41    43   0.02600  1.0 3.0
   33    49    52    53   0.01550  1.0 1.0
   33    49    52    53   0.69950 -1.0 2.0
   33    49    52    53   0.02600  1.0 3.0
   33    49    52    54   0.01550  1.0 1.0
   33    49    52    54   0.69950 -1.0 2.0
   33    49    52    54   0.02600  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    49    45   0.00000  1.0 1.0
   34    33    49    52   0.00000  1.0 1.0
   38    33    49    45  -0.28300  1.0 1.0
   38    33    49    45   0.26700 -1.0 2.0
   38    33    49    45  -0.63300  1.0 3.0
   38    33    49    52   0.09700  1.0 1.0
   38    33    49    52   0.15600 -1.0 2.0
   38    33    49    52  -0.50800  1.0 3.0
   38    39   -44    45   0.28850  1.0 1.0
   38    39   -44    45   2.61350 -1.0 2.0
   38    39   -44    45   0.78400  1.0 3.0
   38    39    44    46   0.28850  1.0 1.0
   38    39    44    46   2.61350 -1.0 2.0
   38    39    44    46   0.78400  1.0 3.0
   39    38    41    42   0.65450 -1.0 2.0
   39    38    41    43   0.65450 -1.0 2.0
   39    44    45    49   0.28850  1.0 1.0
   39    44    45    49   2.61350 -1.0 2.0
   39    44    45    49   0.78400  1.0 3.0
   39    44    45    50   0.50950  1.0 1.0
   39    44    45    50   0.56650 -1.0 2.0
   39    44    45    50   0.34050  1.0 3.0
   39    44    46    47   7.00000 -1.0 2.0
   39    44    46    48   7.00000 -1.0 2.0
   40    39    44    45  -0.18600  1.0 3.0
   40    39    44    46  -0.18600  1.0 3.0
   44    45   -49    33   7.00000 -1.0 2.0
   44    45    49    52   7.00000 -1.0 2.0
   44    45    50    51  -0.66100  1.0 1.0
   44    45    50    51   1.20850 -1.0 2.0
   44    45    50    51  -0.36000  1.0 3.0
   45    44    46    47   7.00000 -1.0 2.0
   45    44    46    48   7.00000 -1.0 2.0
   45    49    52    53   0.65450 -1.0 2.0
   45    49    52    54   0.65450 -1.0 2.0
   49    33   -38    39  -0.28300  1.0 1.0
   49    33   -38    39   0.26700 -1.0 2.0
   49    33   -38    39  -0.63300  1.0 3.0
   49    33    38    41   0.09700  1.0 1.0
   49    33    38    41   0.15600 -1.0 2.0
   49    33    38    41  -0.50800  1.0 3.0
   49    45    50    51  -0.66100  1.0 1.0
   49    45    50    51   1.20850 -1.0 2.0
   49    45    50    51  -0.36000  1.0 3.0
   50    45    49    33   7.00000 -1.0 2.0
   50    45    49    52   7.00000 -1.0 2.0
   46    44    45    49   0.28850  1.0 1.0
   46    44    45    49   2.61350 -1.0 2.0
   46    44    45    49   0.78400  1.0 3.0
   46    44    45    50   0.50950  1.0 1.0
   46    44    45    50   0.56650 -1.0 2.0
   46    44    45    50   0.34050  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    44   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
   44    40    39    38   1.10000 -1.0 2.0
   39    45    44    46   1.10000 -1.0 2.0
   44    50    45    49   1.10000 -1.0 2.0
   33    52    49    45   1.10000 -1.0 2.0
   53    49    52    54  10.50000 -1.0 2.0
   47    48    46    44   1.10000 -1.0 2.0
   42    38    41    43  10.50000 -1.0 2.0
END
