* LIGAND DATABASE FILE (OPLS2005)
*
001      61    61    110    164     326
    1     0 S   NP   _N1_     1    28.92046    94.03254   -20.58737
    2     1 S   H    _HN1     2     1.02795    79.16163  -106.18528
    3     1 S   H    _H1_     3     1.02871    95.94671     1.22717
    4     1 S   H    _H2_     4     1.02951    36.47360   112.50420
    5     1 S   CT   _CA1     5     1.50381   144.02660   141.07523
    6     5 S   HC   _HA1     6     1.09682   104.80157    45.22719
    7     5 S   CO3  _C1_     7     1.54468   110.90876   -71.24296
    8     7 S   O2Z  _O11     8     1.26127   116.62131  -111.74521
    9     7 S   O2Z  _O12     9     1.26513   113.79877    66.92692
   10     5 S   CT   _CB1    10     1.53047   107.16515   161.44896
   11    10 S   HC   HB11    11     1.09822   110.19483   -44.33462
   12    10 S   HC   HB12    12     1.09793   110.02698    72.31139
   13    10 S   CT   _CG1    13     1.53068   112.10996  -164.99384
   14    13 S   HC   HG11    14     1.09430   110.67407   -48.44158
   15    13 S   HC   HG12    15     1.09621   110.07770    70.25545
   16    13 S   C    _CD1    16     1.51679   111.84333  -169.59094
   17    16 S   O    _OE1    17     1.22759   123.00349   -17.60028
   18    16 S   N    _N2_    18     1.38538   111.94955   163.18770
   19    18 S   H    _HN2    19     1.01697   119.19276     2.29985
   20    18 S   CT1  _CA2    20     1.46173   123.27115  -176.75895
   21    20 S   HC   _HA2    21     1.09721   109.46212    -0.21489
   22    20 S   C    _C2_    22     1.53385   108.76494  -116.23329
   23    22 S   O    _O2_    23     1.23046   122.14108  -144.36333
   24    20 S   CT   _CB2    32     1.53328   111.10040   121.39920
   25    24 S   HC   HB21    33     1.09526   109.57650    60.25944
   26    24 S   HC   HB22    34     1.09528   110.58382   178.22381
   27    22 S   N    _N3_    24     1.38482   113.57257    42.97344
   28    27 S   H    _HN3    25     1.01492   119.00609    -0.26020
   29    24 S   S    _SG2    35     1.83052   111.79380   -62.26400
   30    27 S   CT   _CA3    26     1.45449   123.32982   175.41687
   31    30 S   HC   HA31    27     1.09531   109.12486    26.71819
   32    30 S   HC   HA32    28     1.09495   107.14444   143.66521
   33    29 S   CT   _C9_    36     1.84042    99.25161   141.21175
   34    33 S   HC   _H7_    37     1.09552   105.15661    56.46999
   35    30 S   CO3  _C3_    29     1.52926   113.20137   -96.70971
   36    35 S   O2Z  _O31    30     1.26398   115.42512   -45.07618
   37    35 S   O2Z  _O32    31     1.26365   114.98697   135.90873
   38    33 S   CT   _C5_    38     1.54919   114.75679   174.62834
   39    38 S   HC   _H3_    39     1.10041   107.56910  -167.77658
   40    38 S   CT   _C6_    40     1.54363   111.15453    76.97797
   41    40 S   HC   _H4_    41     1.09679   111.23724   -71.44284
   42    38 S   NTH  _N4_    56     1.47401   114.79016   -47.88140
   43    42 S   H    _H11    57     1.02112   108.76725   168.70466
   44    40 S   CT   _C7_    42     1.53364   110.43229    50.98816
   45    44 S   HC   _H5_    43     1.09711   108.97527    67.06965
   46    40 S   OH   _O36    54     1.43230   109.48758   171.24696
   47    46 S   HO   _H16    55     0.97226   108.09366   -65.71923
   48    42 S   CT   _C4_    58     1.45684   112.81431   -70.37637
   49    48 S   HC   _H8_    59     1.09368   111.92003    64.30644
   50    48 S   HC   _H9_    60     1.09472   111.56532   -58.40615
   51    48 S   HC   _H10    61     1.09465   109.19076  -177.35381
   52    44 S   CT   _C8_    44     1.52912   110.20433   -53.73869
   53    52 S   HC   _H6_    45     1.09593   110.42862   -63.23012
   54    44 S   OH   _O35    52     1.42396   109.82093  -176.38822
   55    54 S   HO   _H15    53     0.97627   108.74529    70.11219
   56    33 S   OS   _O33    46     1.43640   112.67719   -57.82417
   57    52 S   CT   _C10    47     1.52931   112.04687   177.00919
   58    57 S   HC   _H12    48     1.09397   111.57879    52.89286
   59    57 S   HC   _H13    49     1.09488   111.04293   -69.63917
   60    57 S   OH   _O34    50     1.42699   108.94551   171.73571
   61    60 S   HO   _H14    51     0.97262   106.80036   178.53968
  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  16   8  14   7   8   4  12   7   3   1   3
   2   1   1   9   6   3   1   4   4   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    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    52    56    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    52    53    56    57    46    42    43    48  
   38    39    40    52    56    42  
   36    37  
   37  
    0  
   39    40    41    44    45    52    56    54    46    47    42    43    48    49    50    51  
   40    41    44    56    46    42    43    48  
   41    44    45    52    53    56    57    54    55    46    47    42    43    48  
   44    45    52    54    46    47    42  
   43    48    49    50    51    44    46    56  
   48    49    50    51  
   45    52    53    56    57    58    59    60    54    55    46    47  
   52    53    56    57    54    55    46  
   47    52    54  
    0  
   49    50    51  
   50    51  
   51  
    0  
   53    56    57    58    59    60    61    54    55  
   56    57    58    59    60    54  
   55    56    57  
    0  
   57    58    59    60  
   58    59    60    61  
   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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   43   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.020000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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
   56   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   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    56   320.000  1.410
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   305.000  1.454
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    52   268.000  1.529
   44    54   320.000  1.410
   52    53   340.000  1.090
   52    56   320.000  1.410
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   320.000  1.410
   60    61   553.000  0.945
   54    55   553.000  0.945
   46    47   553.000  0.945
   42    43   500.000  1.015
   42    48   305.000  1.454
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    56    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    80.00000  111.29100
   33    56    52    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    50.00000  109.23200
   38    42    48    75.00000  112.02600
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    52    58.35000  112.70000
   40    44    54    50.00000  109.50000
   40    46    47    55.00000  108.50000
   44    40    41    37.50000  110.70000
   44    52    53    37.50000  110.70000
   44    52    56    50.00000  109.50000
   44    52    57    58.35000  112.70000
   44    54    55    55.00000  108.50000
   52    44    45    37.50000  110.70000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    60    50.00000  109.50000
   56    33    34    35.00000  109.50000
   56    33    38    50.00000  109.50000
   56    52    53    35.00000  109.50000
   57    52    53    37.50000  110.70000
   57    52    56    50.00000  109.50000
   57    60    61    55.00000  108.50000
   59    57    58    33.00000  107.80000
   60    57    58    35.00000  109.50000
   60    57    59    35.00000  109.50000
   54    44    45    35.00000  109.50000
   54    44    52    50.00000  109.50000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   42    38    39    50.00000  110.59500
   42    38    40    80.00000  111.29100
   42    48    49    50.00000  110.59500
   42    48    50    50.00000  110.59500
   42    48    51    50.00000  110.59500
   48    42    43    50.00000  109.23200
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    56   0.13850  1.0 1.0
   24    29    33    56  -1.34450 -1.0 2.0
   24    29    33    56   0.57400  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    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    56    52   0.14700  1.0 1.0
   29    33    56    52  -1.16150 -1.0 2.0
   29    33    56    52   0.48700  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.86500  1.0 1.0
   33    38    40    46  -0.17500 -1.0 2.0
   33    38    40    46   0.20800  1.0 3.0
   33    38    42    43   0.03200  1.0 1.0
   33    38    42    43   0.33800 -1.0 2.0
   33    38    42    48  -0.35450  1.0 1.0
   33    38    42    48   0.44050 -1.0 2.0
   33    38    42    48   0.77100  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    42   0.15000  1.0 3.0
   34    33    56    52   0.37050  1.0 3.0
   38    33    56    52   0.06250  1.0 1.0
   38    33    56    52  -0.01100 -1.0 2.0
   38    33    56    52   0.28050  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    52   0.56750  1.0 1.0
   38    40   -44    52  -0.07550 -1.0 2.0
   38    40   -44    52   0.20000  1.0 3.0
   38    40    44    54   0.86500  1.0 1.0
   38    40    44    54  -0.17500 -1.0 2.0
   38    40    44    54   0.20800  1.0 3.0
   38    40    46    47  -0.11600  1.0 1.0
   38    40    46    47  -0.09450 -1.0 2.0
   38    40    46    47   0.21250  1.0 3.0
   38    42    48    49   0.28000  1.0 3.0
   38    42    48    50   0.28000  1.0 3.0
   38    42    48    51   0.28000  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.20000  1.0 3.0
   39    38    42    48   0.28000  1.0 3.0
   40    38    42    43   0.03200  1.0 1.0
   40    38    42    43   0.33800 -1.0 2.0
   40    38    42    48  -0.35450  1.0 1.0
   40    38    42    48   0.44050 -1.0 2.0
   40    38    42    48   0.77100  1.0 3.0
   40    44    52    53   0.15000  1.0 3.0
   40    44    52    56   0.62750  1.0 1.0
   40    44    52    56  -0.30950 -1.0 2.0
   40    44    52    56   0.27300  1.0 3.0
   40    44    52    57   0.56750  1.0 1.0
   40    44    52    57  -0.07550 -1.0 2.0
   40    44    52    57   0.20000  1.0 3.0
   40    44    54    55  -0.11600  1.0 1.0
   40    44    54    55  -0.09450 -1.0 2.0
   40    44    54    55   0.21250  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    52   0.15000  1.0 3.0
   41    40    44    54   0.23400  1.0 3.0
   41    40    46    47   0.19450  1.0 3.0
   44    40    46    47  -0.11600  1.0 1.0
   44    40    46    47  -0.09450 -1.0 2.0
   44    40    46    47   0.21250  1.0 3.0
   44    52   -56    33   0.06250  1.0 1.0
   44    52   -56    33  -0.01100 -1.0 2.0
   44    52   -56    33   0.28050  1.0 3.0
   44    52    57    58   0.15000  1.0 3.0
   44    52    57    59   0.15000  1.0 3.0
   44    52    57    60   0.86500  1.0 1.0
   44    52    57    60  -0.17500 -1.0 2.0
   44    52    57    60   0.20800  1.0 3.0
   45    44    52    53   0.15000  1.0 3.0
   45    44    52    56   0.23400  1.0 3.0
   45    44    52    57   0.15000  1.0 3.0
   45    44    54    55   0.19450  1.0 3.0
   52    44    54    55  -0.11600  1.0 1.0
   52    44    54    55  -0.09450 -1.0 2.0
   52    44    54    55   0.21250  1.0 3.0
   52    57    60    61  -0.11600  1.0 1.0
   52    57    60    61  -0.09450 -1.0 2.0
   52    57    60    61   0.21250  1.0 3.0
   53    52    56    33   0.37050  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    59   0.15000  1.0 3.0
   53    52    57    60   0.23400  1.0 3.0
   56    33    38    39   0.23400  1.0 3.0
   56    33   -38    40   0.62750  1.0 1.0
   56    33   -38    40  -0.30950 -1.0 2.0
   56    33   -38    40   0.27300  1.0 3.0
   56    33    38    42   2.34900  1.0 1.0
   56    33    38    42  -0.83700 -1.0 2.0
   56    52    57    58   0.23400  1.0 3.0
   56    52    57    59   0.23400  1.0 3.0
   56    52    57    60   3.69350  1.0 1.0
   56    52    57    60  -1.82950 -1.0 2.0
   57    52    56    33   0.06250  1.0 1.0
   57    52    56    33  -0.01100 -1.0 2.0
   57    52    56    33   0.28050  1.0 3.0
   58    57    60    61   0.19450  1.0 3.0
   59    57    60    61   0.19450  1.0 3.0
   54    44    52    53   0.23400  1.0 3.0
   54    44    52    56   3.69350  1.0 1.0
   54    44    52    56  -1.82950 -1.0 2.0
   54    44    52    57   0.86500  1.0 1.0
   54    44    52    57  -0.17500 -1.0 2.0
   54    44    52    57   0.20800  1.0 3.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    52   0.86500  1.0 1.0
   46    40    44    52  -0.17500 -1.0 2.0
   46    40    44    52   0.20800  1.0 3.0
   46    40    44    54   3.75450  1.0 1.0
   42    38    40    41   0.15000  1.0 3.0
   42    38    40    44   1.85550  1.0 1.0
   42    38    40    44  -0.84100 -1.0 2.0
   42    38    40    46   4.49050  1.0 1.0
   43    42    48    49   0.20000  1.0 3.0
   43    42    48    50   0.20000  1.0 3.0
   43    42    48    51   0.20000  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
