* LIGAND DATABASE FILE (OPLS2005)
*
001      55    55     97    148     288
    1     0 S   NP   _N1_     1    28.87552    93.49137   -21.18061
    2     1 S   H    _HN1     2     1.02839    24.50235   159.12982
    3     1 S   H    _H1_     3     1.02776    92.86587   -71.71109
    4     1 S   H    _H2_     4     1.02968    94.57799    36.93525
    5     1 S   CT   _CA1     5     1.50116   135.22515   162.20777
    6     5 S   HC   _HA1     6     1.09576   105.25170    57.81590
    7     5 S   CO3  _C1_     7     1.53777   112.35548   -62.39005
    8     7 S   O2Z  _O11     8     1.26350   115.00400   -44.93932
    9     7 S   O2Z  _O12     9     1.26238   114.90840   134.28452
   10     5 S   CT   _CB1    10     1.53096   107.42615   175.67750
   11    10 S   HC   HB11    11     1.09823   109.28610   -51.43227
   12    10 S   HC   HB12    12     1.09832   110.43492    65.06781
   13    10 S   CT   _CG1    13     1.53039   112.71405  -172.60365
   14    13 S   HC   HG11    14     1.09594   110.35746   -63.18497
   15    13 S   HC   HG12    15     1.09636   110.11631    56.08461
   16    13 S   C    _CD1    16     1.51764   112.18562   176.32342
   17    16 S   O    _OE1    17     1.22754   123.20160    -6.67506
   18    16 S   N    _N2_    18     1.38623   111.83272   173.51263
   19    18 S   H    _HN2    19     1.01610   119.12030     0.20077
   20    18 S   CT1  _CA2    20     1.46139   123.13996  -179.09431
   21    20 S   HC   _HA2    21     1.09587   108.91371   -18.41697
   22    20 S   C    _C2_    22     1.53400   108.60799  -133.52410
   23    22 S   O    _O2_    23     1.23008   122.20698  -147.35149
   24    20 S   CT   _CB2    32     1.53507   111.87074   103.97640
   25    24 S   HC   HB21    33     1.09650   109.54449    59.51385
   26    24 S   HC   HB22    34     1.09562   111.12442   177.04527
   27    22 S   N    _N3_    24     1.38505   113.32336    40.31853
   28    27 S   H    _HN3    25     1.01525   118.93117    -0.84302
   29    24 S   S    _SG2    35     1.82769   114.23314   -60.14965
   30    27 S   CT   _CA3    26     1.45440   123.38665   174.26886
   31    30 S   HC   HA31    27     1.09527   109.13932    26.19028
   32    30 S   HC   HA32    28     1.09487   107.14881   143.26031
   33    29 S   CT   _C10    36     1.82022    99.73128   -74.09419
   34    33 S   HC   _H10    37     1.09568   108.10508   -68.33824
   35    33 S   HC   _H11    38     1.09365   110.94007    48.92132
   36    30 S   CO3  _C3_    29     1.52966   113.20357   -97.14895
   37    36 S   O2Z  _O31    30     1.26399   115.50039   -40.65583
   38    36 S   O2Z  _O32    31     1.26365   114.90511   140.23925
   39    33 S   CM   _C5_    39     1.50940   110.17460   170.33645
   40    39 S   CM   _C4_    40     1.34392   120.70964    98.86105
   41    40 S   HC   _H6_    41     1.08477   122.07709    -0.98178
   42    40 S   CO4  _C9_    42     1.48527   121.18933  -179.28728
   43    42 S   O    _O33    43     1.23037   119.25186  -179.04162
   44    42 S   CT   _C8_    44     1.52013   118.51231     2.45216
   45    44 S   HC   _H5_    45     1.09558   109.44395    91.10146
   46    44 S   CT   _C7_    46     1.52442   110.32474   -31.98159
   47    46 S   HC   _H4_    47     1.09800   109.46077   -66.41528
   48    44 S   OH   _O34    54     1.42235   108.31642  -151.56479
   49    48 S   HO   _H7_    55     0.97306   107.23688   -60.62946
   50    39 S   CT   _C6_    48     1.51294   116.96799   -83.74184
   51    50 S   HC   _H3_    49     1.09613   110.94177   -35.53523
   52    46 S   OH   _O35    52     1.42856   109.29584   176.82707
   53    52 S   HO   _H8_    53     0.97216   107.60487  -175.94570
   54    50 S   OH   _O36    50     1.42766   108.83562    82.28029
   55    54 S   HO   _H9_    51     0.97350   107.45411   -61.18250
  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   6   5   4   3
  10   4   3   2   1   1  12  10   4   9   4  10   6   9   6   3
   1   5   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    50  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    46    50    51    54  
   35    39    40    50  
   39    40    50  
   37    38  
   38  
    0  
   40    41    42    43    44    46    47    50    51    54    55    52  
   41    42    43    44    45    46    50    51    54    48  
   42    43    44    50  
   43    44    45    46    47    50    52    48    49  
   44    45    46    48  
   45    46    47    50    51    54    52    53    48    49  
   46    47    50    52    48    49  
   47    50    51    54    55    52    53    48    49  
   50    51    54    52    53    48  
   49    50    52  
    0  
   51    54    55    52    53  
   54    55    52  
   53    54  
    0  
   55  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   549.000  1.340
   39    50   317.000  1.510
   40    41   340.000  1.080
   40    42   320.000  1.462
   42    43   570.000  1.229
   42    44   317.000  1.522
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   320.000  1.410
   46    47   340.000  1.090
   46    50   268.000  1.529
   46    52   320.000  1.410
   50    51   340.000  1.090
   50    54   320.000  1.410
   54    55   553.000  0.945
   52    53   553.000  0.945
   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    50    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    65.00000  118.96000
   39    50    46    70.00000  112.02700
   39    50    51    35.00000  109.50000
   39    50    54    90.00000  110.39200
   40    42    43    80.00000  123.72100
   40    42    44    65.00000  118.62400
   42    40    41    40.00000  117.72500
   42    44    45    35.00000  109.50000
   42    44    46    63.00000  111.10000
   42    44    48    90.00000  109.61100
   44    42    43    80.00000  120.40000
   44    46    47    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    46    52    50.00000  109.50000
   44    48    49    55.00000  108.50000
   46    44    45    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    54    50.00000  109.50000
   46    52    53    55.00000  108.50000
   50    39    40    70.00000  124.00000
   50    46    47    37.50000  110.70000
   50    54    55    55.00000  108.50000
   54    50    51    35.00000  109.50000
   52    46    47    35.00000  109.50000
   52    46    50    50.00000  109.50000
   48    44    45    35.00000  109.50000
   48    44    46    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    50   0.30250  1.0 1.0
   29    33    39    50  -0.14950 -1.0 2.0
   29    33    39    50   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    50    46   0.46850  1.0 1.0
   33    39    50    46   0.08550 -1.0 2.0
   33    39    50    46   0.09800  1.0 3.0
   33    39    50    51   0.34800  1.0 3.0
   33    39    50    54   0.18000  1.0 1.0
   33    39    50    54   0.16450 -1.0 2.0
   33    39    50    54   0.04450  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    50   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    50   0.34800  1.0 3.0
   39    40    42    43   1.00000 -1.0 2.0
   39    40    42    44  -0.33500  1.0 1.0
   39    40    42    44   1.06600 -1.0 2.0
   39    40    42    44  -0.14000  1.0 3.0
   39    50    54    55  -0.07800  1.0 1.0
   39    50    54    55  -0.21500 -1.0 2.0
   39    50    54    55  -0.03150  1.0 3.0
   40    39    50    46   0.09850  1.0 1.0
   40    39    50    46   0.15250 -1.0 2.0
   40    39    50    46  -0.50650  1.0 3.0
   40    39    50    51   0.00000  1.0 1.0
   40    39    50    54   0.67800  1.0 1.0
   40    39    50    54   0.47050 -1.0 2.0
   40    39    50    54  -0.62500  1.0 3.0
   40    42    44    45   0.00000  1.0 1.0
   40    42   -44    46   0.65300  1.0 1.0
   40    42   -44    46  -0.03850 -1.0 2.0
   40    42   -44    46   0.33900  1.0 3.0
   40    42    44    48   0.65300  1.0 1.0
   40    42    44    48  -0.03850 -1.0 2.0
   40    42    44    48   0.33900  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.04550  1.0 1.0
   41    40    42    44   0.83000 -1.0 2.0
   41    40    42    44  -0.04000  1.0 3.0
   42    44    46    47  -0.11250  1.0 3.0
   42    44    46    50  -0.95700  1.0 1.0
   42    44    46    50  -0.18200 -1.0 2.0
   42    44    46    50   0.29450  1.0 3.0
   42    44    46    52  -0.09450  1.0 1.0
   42    44    46    52  -1.12950 -1.0 2.0
   42    44    46    52   0.54000  1.0 3.0
   42    44    48    49   0.91850  1.0 1.0
   42    44    48    49   0.57950  1.0 3.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    46   0.30150 -1.0 2.0
   43    42    44    48   0.30150 -1.0 2.0
   44    46   -50    39   0.34400  1.0 1.0
   44    46   -50    39   0.09450 -1.0 2.0
   44    46   -50    39   0.11100  1.0 3.0
   44    46    50    51   0.15000  1.0 3.0
   44    46    50    54   0.86500  1.0 1.0
   44    46    50    54  -0.17500 -1.0 2.0
   44    46    50    54   0.20800  1.0 3.0
   44    46    52    53  -0.11600  1.0 1.0
   44    46    52    53  -0.09450 -1.0 2.0
   44    46    52    53   0.21250  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    46    52   0.23400  1.0 3.0
   45    44    48    49   0.19450  1.0 3.0
   46    44    48    49  -0.11600  1.0 1.0
   46    44    48    49  -0.09450 -1.0 2.0
   46    44    48    49   0.21250  1.0 3.0
   46    50    54    55  -0.11600  1.0 1.0
   46    50    54    55  -0.09450 -1.0 2.0
   46    50    54    55   0.21250  1.0 3.0
   47    46    50    39   0.15000  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    54   0.23400  1.0 3.0
   47    46    52    53   0.19450  1.0 3.0
   50    39    40    41   7.00000 -1.0 2.0
   50    39   -40    42   7.00000 -1.0 2.0
   50    46    52    53  -0.11600  1.0 1.0
   50    46    52    53  -0.09450 -1.0 2.0
   50    46    52    53   0.21250  1.0 3.0
   51    50    54    55   0.19450  1.0 3.0
   52    46    50    39   1.05650  1.0 1.0
   52    46    50    39   0.15600 -1.0 2.0
   52    46    50    39   0.53150  1.0 3.0
   52    46    50    51   0.23400  1.0 3.0
   52    46    50    54   3.75450  1.0 1.0
   48    44    46    47   0.23400  1.0 3.0
   48    44    46    50   0.86500  1.0 1.0
   48    44    46    50  -0.17500 -1.0 2.0
   48    44    46    50   0.20800  1.0 3.0
   48    44    46    52   3.75450  1.0 1.0
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
   37    30    36    38  10.50000 -1.0 2.0
   33    50    39    40   1.10000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   40    44    42    43  10.50000 -1.0 2.0
END
