* LIGAND DATABASE FILE (OPLS2005)
*
001      54    54     99    152     296
    1     0 S   NP   _N1_     1    28.84294    96.25591   -22.78952
    2     1 S   H    _HN1     2     1.02949    73.33780    11.96627
    3     1 S   H    _H1_     3     1.02828    38.52932   162.19788
    4     1 S   H    _H2_     4     1.02786   101.85262   -93.89207
    5     1 S   CT   _CA1     5     1.50115   141.51669   113.97918
    6     5 S   HC   _HA1     6     1.09572   105.19594    89.03566
    7     5 S   CO3  _C1_     7     1.53785   112.46526   -31.21689
    8     7 S   O2Z  _O11     8     1.26374   115.00234   -42.41510
    9     7 S   O2Z  _O12     9     1.26237   114.94563   136.71497
   10     5 S   CT   _CB1    10     1.53074   107.41870  -152.96218
   11    10 S   HC   HB11    11     1.09834   109.38089   -49.54053
   12    10 S   HC   HB12    12     1.09813   110.44392    67.06815
   13    10 S   CT   _CG1    13     1.52994   112.61160  -170.50485
   14    13 S   HC   HG11    14     1.09580   110.65705   -65.73330
   15    13 S   HC   HG12    15     1.09669   109.77339    53.51115
   16    13 S   C    _CD1    16     1.51795   112.17638   173.98614
   17    16 S   O    _OE1    17     1.22734   123.27216     7.94643
   18    16 S   N    _N2_    18     1.38646   111.70562  -172.19475
   19    18 S   H    _HN2    19     1.01584   118.94268     1.69743
   20    18 S   CT1  _CA2    20     1.46198   123.38026   177.55904
   21    20 S   HC   _HA2    21     1.09734   109.37367     3.85128
   22    20 S   C    _C2_    22     1.53544   108.64899  -111.71919
   23    22 S   O    _O2_    23     1.23064   122.24406  -147.57223
   24    20 S   CT   _CB2    32     1.53309   111.55206   125.87308
   25    24 S   HC   HB21    33     1.09457   109.95763    57.11750
   26    24 S   HC   HB22    34     1.09526   110.16852   176.04522
   27    22 S   N    _N3_    24     1.38315   113.74279    39.81990
   28    27 S   H    _HN3    25     1.01578   119.61709    -3.17946
   29    24 S   S    _SG2    35     1.82671   111.51210   -64.35002
   30    27 S   CT   _CA3    26     1.45286   123.21259   177.19893
   31    30 S   HC   HA31    27     1.09549   107.50464   -64.85372
   32    30 S   HC   HA32    28     1.09557   107.99366    51.58725
   33    29 S   CT   _C8_    36     1.85492    99.72723   177.73091
   34    33 S   HC   _H7_    37     1.09656   106.92070    21.71531
   35    30 S   CO3  _C3_    29     1.52962   114.08052   173.60144
   36    35 S   O2Z  _O31    30     1.26375   116.07665    -0.30519
   37    35 S   O2Z  _O32    31     1.26428   114.40883   179.75213
   38    33 S   CT   _C7_    38     1.54425   111.35562   -97.11764
   39    38 S   HC   _H6_    39     1.09866   108.11635   173.11214
   40    38 S   CT   _C6_    40     1.53893   112.62764   -66.82748
   41    40 S   Cl   Cl2_    41     1.80553   108.90588  -175.43233
   42    40 S   HC   _H5_    42     1.09536   110.20581    70.07789
   43    38 S   OH   _O33    53     1.42643   110.56625    56.88387
   44    43 S   HO   _H9_    54     0.97250   107.63672    61.89238
   45    40 S   CT   _C5_    43     1.53770   111.76119   -53.98495
   46    45 S   Cl   Cl3_    44     1.80207   110.21164   172.11439
   47    45 S   HC   _H4_    45     1.09710   109.92089   -72.54986
   48    45 S   CT   _C4_    46     1.54050   113.60044    49.60986
   49    48 S   HC   _H3_    47     1.09625   110.21310    73.47203
   50    33 S   CT   _C9_    48     1.54100   112.05128   141.02560
   51    50 S   Cl   Cl1_    49     1.79758   111.56471   -59.48368
   52    50 S   HC   _H8_    50     1.09712   108.52547  -173.39123
   53    48 S   OH   _O34    51     1.43253   108.75584  -169.80077
   54    53 S   HO   _H10    52     0.97237   108.47451    62.44887
  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  10   5   4   3
  15   8   2   1   1  13   7  11   6   5   3   1   9   5   4   6
   5   4   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    50    51    52    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    45    48    49    50    51    52    53    43    44  
   38    39    40    48    50    51    52    43  
   36    37  
   37  
    0  
   39    40    41    42    45    46    47    48    50    51    52    43    44  
   40    41    42    45    50    43    44  
   41    42    45    46    47    48    49    50    53    43    44  
   42    45    46    47    48    43  
   45    46    47    48    43  
   44    45    50  
    0  
   46    47    48    49    50    51    52    53    54  
   47    48    49    50    53  
   48    49    50    53  
   49    50    51    52    53    54  
   50    51    52    53    54  
   51    52    53    54  
   52    53  
   53  
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.097000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   42   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.097000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   47   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.097000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   52   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   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   340.000  1.090
   33    38   268.000  1.529
   33    50   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    43   320.000  1.410
   40    41   245.000  1.781
   40    42   340.000  1.090
   40    45   268.000  1.529
   45    46   245.000  1.781
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    53   320.000  1.410
   50    51   245.000  1.781
   50    52   340.000  1.090
   53    54   553.000  0.945
   43    44   553.000  0.945
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  111.63000
   29    33    50    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    43    50.00000  109.50000
   33    50    48    58.35000  112.70000
   33    50    51    69.00000  109.80000
   33    50    52    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    40    41    69.00000  109.80000
   38    40    42    37.50000  110.70000
   38    40    45    58.35000  112.70000
   38    43    44    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    45    46    69.00000  109.80000
   40    45    47    37.50000  110.70000
   40    45    48    58.35000  112.70000
   42    40    41    51.00000  107.60000
   45    40    41    69.00000  109.80000
   45    40    42    37.50000  110.70000
   45    48    49    37.50000  110.70000
   45    48    50    58.35000  112.70000
   45    48    53    50.00000  109.50000
   47    45    46    51.00000  107.60000
   48    45    46    69.00000  109.80000
   48    45    47    37.50000  110.70000
   48    50    51    69.00000  109.80000
   48    50    52    37.50000  110.70000
   48    53    54    55.00000  108.50000
   50    33    34    37.50000  110.70000
   50    33    38    58.35000  112.70000
   50    48    49    37.50000  110.70000
   52    50    51    51.00000  107.60000
   53    48    49    35.00000  109.50000
   53    48    50    50.00000  109.50000
   43    38    39    35.00000  109.50000
   43    38    40    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    50    48   0.44750  1.0 1.0
   29    33    50    48  -0.17800 -1.0 2.0
   29    33    50    48   0.20200  1.0 3.0
   29    33    50    51   0.56750  1.0 1.0
   29    33    50    51  -0.07550 -1.0 2.0
   29    33    50    51   0.20000  1.0 3.0
   29    33    50    52   0.15000  1.0 3.0
   33    38    40    41   0.35600  1.0 1.0
   33    38    40    41  -0.14650 -1.0 2.0
   33    38    40    41   0.33350  1.0 3.0
   33    38    40    42   0.15000  1.0 3.0
   33    38    40    45   0.56750  1.0 1.0
   33    38    40    45  -0.07550 -1.0 2.0
   33    38    40    45   0.20000  1.0 3.0
   33    38    43    44  -0.11600  1.0 1.0
   33    38    43    44  -0.09450 -1.0 2.0
   33    38    43    44   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.23400  1.0 3.0
   34    33    50    48   0.15000  1.0 3.0
   34    33    50    51   0.27000  1.0 3.0
   34    33    50    52   0.15000  1.0 3.0
   38    33    50    48   0.56750  1.0 1.0
   38    33    50    48  -0.07550 -1.0 2.0
   38    33    50    48   0.20000  1.0 3.0
   38    33    50    51   0.35600  1.0 1.0
   38    33    50    51  -0.14650 -1.0 2.0
   38    33    50    51   0.33350  1.0 3.0
   38    33    50    52   0.15000  1.0 3.0
   38    40    45    46   0.35600  1.0 1.0
   38    40    45    46  -0.14650 -1.0 2.0
   38    40    45    46   0.33350  1.0 3.0
   38    40    45    47   0.15000  1.0 3.0
   38    40   -45    48   0.56750  1.0 1.0
   38    40   -45    48  -0.07550 -1.0 2.0
   38    40   -45    48   0.20000  1.0 3.0
   39    38    40    41   0.27000  1.0 3.0
   39    38    40    42   0.15000  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    43    44   0.19450  1.0 3.0
   40    38    43    44  -0.11600  1.0 1.0
   40    38    43    44  -0.09450 -1.0 2.0
   40    38    43    44   0.21250  1.0 3.0
   40    45    48    49   0.15000  1.0 3.0
   40    45    48    50   0.56750  1.0 1.0
   40    45    48    50  -0.07550 -1.0 2.0
   40    45    48    50   0.20000  1.0 3.0
   40    45    48    53   0.86500  1.0 1.0
   40    45    48    53  -0.17500 -1.0 2.0
   40    45    48    53   0.20800  1.0 3.0
   41    40    45    46   0.22500  1.0 1.0
   41    40    45    47   0.27000  1.0 3.0
   41    40    45    48   0.35600  1.0 1.0
   41    40    45    48  -0.14650 -1.0 2.0
   41    40    45    48   0.33350  1.0 3.0
   42    40    45    46   0.27000  1.0 3.0
   42    40    45    47   0.15000  1.0 3.0
   42    40    45    48   0.15000  1.0 3.0
   45    48   -50    33   0.56750  1.0 1.0
   45    48   -50    33  -0.07550 -1.0 2.0
   45    48   -50    33   0.20000  1.0 3.0
   45    48    50    51   0.35600  1.0 1.0
   45    48    50    51  -0.14650 -1.0 2.0
   45    48    50    51   0.33350  1.0 3.0
   45    48    50    52   0.15000  1.0 3.0
   45    48    53    54  -0.11600  1.0 1.0
   45    48    53    54  -0.09450 -1.0 2.0
   45    48    53    54   0.21250  1.0 3.0
   46    45    48    49   0.27000  1.0 3.0
   46    45    48    50   0.35600  1.0 1.0
   46    45    48    50  -0.14650 -1.0 2.0
   46    45    48    50   0.33350  1.0 3.0
   46    45    48    53   0.56750  1.0 1.0
   46    45    48    53  -0.07550 -1.0 2.0
   46    45    48    53   0.20000  1.0 3.0
   47    45    48    49   0.15000  1.0 3.0
   47    45    48    50   0.15000  1.0 3.0
   47    45    48    53   0.23400  1.0 3.0
   49    48    50    33   0.15000  1.0 3.0
   49    48    50    51   0.27000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    53    54   0.19450  1.0 3.0
   50    33    38    39   0.15000  1.0 3.0
   50    33   -38    40   0.56750  1.0 1.0
   50    33   -38    40  -0.07550 -1.0 2.0
   50    33   -38    40   0.20000  1.0 3.0
   50    33    38    43   0.86500  1.0 1.0
   50    33    38    43  -0.17500 -1.0 2.0
   50    33    38    43   0.20800  1.0 3.0
   50    48    53    54  -0.11600  1.0 1.0
   50    48    53    54  -0.09450 -1.0 2.0
   50    48    53    54   0.21250  1.0 3.0
   53    48    50    33   0.86500  1.0 1.0
   53    48    50    33  -0.17500 -1.0 2.0
   53    48    50    33   0.20800  1.0 3.0
   53    48    50    51   0.56750  1.0 1.0
   53    48    50    51  -0.07550 -1.0 2.0
   53    48    50    51   0.20000  1.0 3.0
   53    48    50    52   0.23400  1.0 3.0
   43    38    40    41   0.56750  1.0 1.0
   43    38    40    41  -0.07550 -1.0 2.0
   43    38    40    41   0.20000  1.0 3.0
   43    38    40    42   0.23400  1.0 3.0
   43    38    40    45   0.86500  1.0 1.0
   43    38    40    45  -0.17500 -1.0 2.0
   43    38    40    45   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
   36    30    35    37  10.50000 -1.0 2.0
END
