* LIGAND DATABASE FILE (OPLS2005)
*
001      61    61    110    165     324
    1     0 S   NP   _N1_     1    28.78392    94.88818   -22.41889
    2     1 S   H    _HN1     2     1.02848    85.95109     8.11960
    3     1 S   H    _H1_     3     1.02976    31.52833   141.31533
    4     1 S   H    _H2_     4     1.02801    93.64534   -99.94208
    5     1 S   CT   _CA1     5     1.50506   140.85798   127.61114
    6     5 S   HC   _HA1     6     1.09672   104.66427    71.43116
    7     5 S   CO3  _C1_     7     1.54544   111.03742   -44.56362
    8     7 S   O2Z  _O11     8     1.26142   116.71334  -123.61944
    9     7 S   O2Z  _O12     9     1.26543   113.76025    55.41598
   10     5 S   CT   _CB1    10     1.53077   107.06911  -172.20074
   11    10 S   HC   HB11    11     1.09831   110.23934   -40.84994
   12    10 S   HC   HB12    12     1.09790   109.95050    75.80048
   13    10 S   CT   _CG1    13     1.53050   112.30108  -161.43663
   14    13 S   HC   HG11    14     1.09521   111.05233   -52.28073
   15    13 S   HC   HG12    15     1.09656   109.83936    66.66369
   16    13 S   C    _CD1    16     1.51699   112.11237  -173.03570
   17    16 S   O    _OE1    17     1.22721   123.29681    -5.90339
   18    16 S   N    _N2_    18     1.38576   111.59833   174.04435
   19    18 S   H    _HN2    19     1.01595   119.07653     3.20784
   20    18 S   CT1  _CA2    20     1.46176   123.31605  -178.21447
   21    20 S   HC   _HA2    21     1.09726   109.42563    -5.80927
   22    20 S   C    _C2_    22     1.53392   108.62425  -121.55812
   23    22 S   O    _O2_    23     1.23030   122.32197  -148.66273
   24    20 S   CT   _CB2    32     1.53392   111.18284   116.03931
   25    24 S   HC   HB21    33     1.09555   109.60181    57.42450
   26    24 S   HC   HB22    34     1.09430   110.17797   176.20378
   27    22 S   N    _N3_    24     1.38344   113.54363    38.76995
   28    27 S   H    _HN3    25     1.01627   119.51027    -3.50006
   29    24 S   S    _SG2    35     1.83023   111.43160   -63.97984
   30    27 S   CT   _CA3    26     1.45292   123.14938   177.02652
   31    30 S   HC   HA31    27     1.09551   107.48716   -64.74627
   32    30 S   HC   HA32    28     1.09558   107.99859    51.67809
   33    29 S   CT   _C7_    36     1.85748   100.19163   155.42027
   34    33 S   HC   _H4_    37     1.09584   106.11961   -38.88911
   35    30 S   CO3  _C3_    29     1.52940   114.11199   173.66008
   36    35 S   O2Z  _O31    30     1.26372   116.04650    -1.75368
   37    35 S   O2Z  _O32    31     1.26428   114.41959   178.33141
   38    33 S   CT   _C8_    38     1.54159   110.99751    77.43189
   39    38 S   F    F1__    39     1.35887   110.79582   -51.73994
   40    38 S   HC   _H5_    40     1.09682   109.85585  -168.94914
   41    38 S   C    _C9_    41     1.50939   110.28179    72.82925
   42    41 S   O    _O35    42     1.22595   123.65575  -137.01111
   43    41 S   N    _N6_    43     1.37973   112.03966    43.70134
   44    43 S   H    _H12    44     1.01375   118.89378   179.96044
   45    43 S   CT   _C10    45     1.44379   121.00530     6.55260
   46    45 S   HC   _H6_    46     1.09747   107.83725    68.16107
   47    33 S   NT   _N5_    47     1.48467   107.78052  -157.39843
   48    45 S   OH   _O36    60     1.41937   106.95085  -175.37501
   49    48 S   HO   _H13    61     0.97143   106.70711   -56.61799
   50    47 S   CT   _C4_    48     1.47715   112.32893   113.14754
   51    50 S   HC   _H7_    49     1.09877   109.99098    51.66053
   52    50 S   HC   _H8_    50     1.09912   109.63217   167.16939
   53    50 S   CT   _C5_    51     1.53778   113.21947   -72.90202
   54    53 S   HC   _H3_    52     1.09479   112.42498    57.12090
   55    53 S   CO3  _C6_    53     1.53444   106.35063   176.77542
   56    55 S   O2Z  _O34    54     1.26316   115.30661    89.87123
   57    55 S   O2Z  _O33    55     1.26334   114.75700   -89.88566
   58    53 S   NP   _N4_    56     1.49607   108.58498   -59.75712
   59    58 S   H    _H9_    57     1.02864   110.80358   -62.53839
   60    58 S   H    _H10    58     1.03429   111.54856   179.11530
   61    58 S   H    _H11    59     1.02805   111.49800    58.20419
  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   9   5   4   3
  15   7   2   1   1   9   5   4   7   3   7   4   8   4   9   2
   1  11   5   4   8   7   6   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    47    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    46    47    50    51    52    53    48  
   38    39    40    41    45    47    50  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    47    50  
   40    41    42    43    47  
   41    42    43    47  
   42    43    44    45    46    47    48  
   43    44    45  
   44    45    46    47    50    48    49  
   45    46    47    48  
   46    47    50    51    52    53    48    49  
   47    50    48    49  
   50    51    52    53    54    55    58    48    49  
   49    50  
    0  
   51    52    53    54    55    56    57    58    59    60    61  
   52    53    54    55    58  
   53    54    55    58  
   54    55    56    57    58    59    60    61  
   55    56    57    58    59    60    61  
   56    57    58    59    60    61  
   57    58  
   58  
   59    60    61  
   60    61  
   61  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   0.317500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0150   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   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   40   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   43   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   44   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   45   3.5000   0.0660   0.615000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   56   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   57   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   58   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   59   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   60   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   61   0.5000   0.0300   0.210000   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    47   382.000  1.448
   38    39   367.000  1.332
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   490.000  1.335
   43    44   434.000  1.010
   43    45   337.000  1.449
   45    46   340.000  1.090
   45    47   382.000  1.448
   45    48   320.000  1.410
   47    50   382.000  1.448
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   268.000  1.529
   53    54   340.000  1.090
   53    55   317.000  1.522
   53    58   367.000  1.471
   55    56   656.000  1.250
   55    57   656.000  1.250
   58    59   434.000  1.010
   58    60   434.000  1.010
   58    61   434.000  1.010
   48    49   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    47    85.00000  109.00000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    47    45    51.80000  107.20000
   33    47    50    51.80000  107.20000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.60000
   40    38    39    40.00000  107.00000
   41    38    39    90.00000  108.61100
   41    38    40    35.00000  109.50000
   41    43    44    35.00000  119.80000
   41    43    45    50.00000  121.90000
   43    41    42    80.00000  122.90000
   43    45    46    35.00000  109.50000
   43    45    47    80.00000  116.76000
   43    45    48    95.00000  111.01700
   45    43    44    38.00000  118.40000
   45    47    50    51.80000  107.20000
   45    48    49    55.00000  108.50000
   47    33    34    35.00000  109.50000
   47    33    38    56.20000  109.47000
   47    45    46    35.00000  109.50000
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    53    56.20000  109.47000
   50    53    54    37.50000  110.70000
   50    53    55    70.00000  109.69300
   50    53    58    80.00000  111.20000
   52    50    51    33.00000  107.80000
   53    50    51    37.50000  110.70000
   53    50    52    37.50000  110.70000
   53    55    56    70.00000  117.00000
   53    55    57    70.00000  117.00000
   53    58    59    35.00000  109.50000
   53    58    60    35.00000  109.50000
   53    58    61    35.00000  109.50000
   55    53    54    35.00000  109.50000
   57    55    56    80.00000  126.00000
   58    53    54    35.00000  109.50000
   58    53    55    80.00000  109.26000
   60    58    59    35.00000  109.50000
   61    58    59    35.00000  109.50000
   61    58    60    35.00000  109.50000
   48    45    46    35.00000  109.50000
   48    45    47   110.00000  105.70000
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    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    38    39   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    47    45   0.23200  1.0 1.0
   29    33    47    45   0.02100 -1.0 2.0
   29    33    47    45   0.24950  1.0 3.0
   29    33    47    50   0.23200  1.0 1.0
   29    33    47    50   0.02100 -1.0 2.0
   29    33    47    50   0.24950  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   1.39750  1.0 1.0
   33    38    41    43  -0.07950 -1.0 2.0
   33    38    41    43  -0.18750  1.0 3.0
   33    47    50    51   0.28000  1.0 3.0
   33    47    50    52   0.28000  1.0 3.0
   33    47    50    53   0.23450  1.0 1.0
   33    47    50    53   0.02050 -1.0 2.0
   33    47    50    53   0.25250  1.0 3.0
   34    33    38    39   0.22100  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    47    45   0.28000  1.0 3.0
   34    33    47    50   0.28000  1.0 3.0
   38    33    47    45   0.23450  1.0 1.0
   38    33    47    45   0.02050 -1.0 2.0
   38    33    47    45   0.25250  1.0 3.0
   38    33    47    50   0.58650  1.0 1.0
   38    33    47    50   0.12600 -1.0 2.0
   38    33    47    50   0.33350  1.0 3.0
   38    41    43    44   2.45000 -1.0 2.0
   38    41   -43    45   1.49850  1.0 1.0
   38    41   -43    45   1.53950 -1.0 2.0
   39    38    41    42   0.30150 -1.0 2.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    45    46   0.00000  1.0 1.0
   41    43    45    47  -0.42300  1.0 1.0
   41    43    45    47  -0.07000 -1.0 2.0
   41    43    45    47   0.04150  1.0 3.0
   41    43    45    48  -5.15550  1.0 1.0
   41    43    45    48  -0.87850 -1.0 2.0
   42    41    43    44   2.45000 -1.0 2.0
   42    41    43    45   3.04450 -1.0 2.0
   43    45   -47    33   0.23200  1.0 1.0
   43    45   -47    33   0.02100 -1.0 2.0
   43    45   -47    33   0.24950  1.0 3.0
   43    45    47    50   0.23200  1.0 1.0
   43    45    47    50   0.02100 -1.0 2.0
   43    45    47    50   0.24950  1.0 3.0
   43    45    48    49   0.09550  1.0 1.0
   43    45    48    49   0.17350 -1.0 2.0
   43    45    48    49  -0.55000  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.00000  1.0 1.0
   44    43    45    48   0.00000  1.0 1.0
   45    47    50    51   0.28000  1.0 3.0
   45    47    50    52   0.28000  1.0 3.0
   45    47    50    53   0.23450  1.0 1.0
   45    47    50    53   0.02050 -1.0 2.0
   45    47    50    53   0.25250  1.0 3.0
   46    45    47    33   0.28000  1.0 3.0
   46    45    47    50   0.28000  1.0 3.0
   46    45    48    49   0.19450  1.0 3.0
   47    33    38    39   0.56750  1.0 1.0
   47    33    38    39  -0.07550 -1.0 2.0
   47    33    38    39   0.20000  1.0 3.0
   47    33    38    40   0.15000  1.0 3.0
   47    33   -38    41  -3.56550  1.0 1.0
   47    33   -38    41  -0.67500 -1.0 2.0
   47    33   -38    41   1.11300  1.0 3.0
   47    45    48    49   0.35600  1.0 1.0
   47    45    48    49  -0.10750 -1.0 2.0
   47    45    48    49  -0.54400  1.0 3.0
   47    50    53    54   0.15000  1.0 3.0
   47    50    53    55  -3.56550  1.0 1.0
   47    50    53    55  -0.67500 -1.0 2.0
   47    50    53    55   1.11300  1.0 3.0
   47    50    53    58   0.99100  1.0 1.0
   47    50    53    58  -1.80900 -1.0 2.0
   50    53    55    56   0.41150 -1.0 2.0
   50    53    55    57   0.41150 -1.0 2.0
   50    53    58    59   0.17350  1.0 3.0
   50    53    58    60   0.17350  1.0 3.0
   50    53    58    61   0.17350  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55  -0.11250  1.0 3.0
   51    50    53    58   0.19200  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    55  -0.11250  1.0 3.0
   52    50    53    58   0.19200  1.0 3.0
   54    53    55    56   0.00000  1.0 1.0
   54    53    55    57   0.00000  1.0 1.0
   54    53    58    59   0.13050  1.0 3.0
   54    53    58    60   0.13050  1.0 3.0
   54    53    58    61   0.13050  1.0 3.0
   55    53    58    59   0.17350  1.0 3.0
   55    53    58    60   0.17350  1.0 3.0
   55    53    58    61   0.17350  1.0 3.0
   58    53    55    56   0.30150 -1.0 2.0
   58    53    55    57   0.30150 -1.0 2.0
   48    45    47    33   0.23200  1.0 1.0
   48    45    47    33   0.02100 -1.0 2.0
   48    45    47    33   0.24950  1.0 3.0
   48    45    47    50   0.23200  1.0 1.0
   48    45    47    50   0.02100 -1.0 2.0
   48    45    47    50   0.24950  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
   38    43    41    42  10.50000 -1.0 2.0
   44    41    43    45   1.00000 -1.0 2.0
   56    53    55    57  10.50000 -1.0 2.0
END
