* LIGAND DATABASE FILE (OPLS2005)
*
001      63    63    113    170     335
    1     0 S   NP   _N1_     1    28.72289    93.71058   -21.62144
    2     1 S   H    _HN1     2     1.02838    24.49302   147.37861
    3     1 S   H    _H1_     3     1.02780    91.69098   -80.07714
    4     1 S   H    _H2_     4     1.02963    95.94919    28.51846
    5     1 S   CT   _CA1     5     1.50108   135.07780   155.48613
    6     5 S   HC   _HA1     6     1.09569   105.28387    55.63494
    7     5 S   CO3  _C1_     7     1.53842   112.30877   -64.69614
    8     7 S   O2Z  _O11     8     1.26362   115.03640   -45.30033
    9     7 S   O2Z  _O12     9     1.26238   114.92322   133.93549
   10     5 S   CT   _CB1    10     1.53091   107.42952   173.61128
   11    10 S   HC   HB11    11     1.09821   109.50502   -50.12905
   12    10 S   HC   HB12    12     1.09832   110.31647    66.44091
   13    10 S   CT   _CG1    13     1.53025   112.66079  -171.24303
   14    13 S   HC   HG11    14     1.09595   110.33045   -59.73785
   15    13 S   HC   HG12    15     1.09621   110.17379    59.50784
   16    13 S   C    _CD1    16     1.51795   112.13528   179.89721
   17    16 S   O    _OE1    17     1.22729   123.18992    -9.75167
   18    16 S   N    _N2_    18     1.38624   111.68825   170.38620
   19    18 S   H    _HN2    19     1.01579   119.07778     2.60639
   20    18 S   CT1  _CA2    20     1.46280   123.33351  -175.91361
   21    20 S   HC   _HA2    21     1.09728   109.35995   -12.93561
   22    20 S   C    _C2_    22     1.53356   108.48385  -128.81900
   23    22 S   O    _O2_    23     1.23008   122.24607  -145.98713
   24    20 S   CT   _CB2    32     1.53496   111.19742   108.92219
   25    24 S   HC   HB21    33     1.09604   109.67653    56.72432
   26    24 S   HC   HB22    34     1.09506   110.62563   175.69493
   27    22 S   N    _N3_    24     1.38509   113.34881    41.37157
   28    27 S   H    _HN3    25     1.01528   118.89520    -0.57471
   29    24 S   S    _SG2    35     1.82677   111.61410   -64.20159
   30    27 S   CT   _CA3    26     1.45452   123.47408   175.14808
   31    30 S   HC   HA31    27     1.09521   109.26815    23.60676
   32    30 S   HC   HA32    28     1.09497   107.10581   140.61697
   33    29 S   CT   _C10    36     1.83509    99.17476   163.66740
   34    33 S   HC   _H7_    37     1.09743   106.97419   -53.04615
   35    30 S   CO3  _C3_    29     1.52928   113.13317   -99.89565
   36    35 S   O2Z  _O31    30     1.26402   115.42079   -43.86884
   37    35 S   O2Z  _O32    31     1.26359   114.97643   137.09450
   38    33 S   CT   _C6_    38     1.54517   110.23284  -172.08870
   39    38 S   HC   _H3_    39     1.09803   110.03707   -55.80026
   40    38 S   CT   _C7_    40     1.53955   109.84290  -174.61934
   41    40 S   HC   _H4_    41     1.09779   109.38004   -70.54052
   42    38 S   N    _N4_    56     1.46817   110.85148    64.30519
   43    42 S   H    _H11    57     1.01540   117.74959    59.78708
   44    40 S   CT   _C8_    42     1.53318   111.47200    50.21415
   45    44 S   HC   _H5_    43     1.09608   109.66336  -175.76839
   46    40 S   OH   _O37    54     1.42739   109.63053   172.39073
   47    46 S   HO   _H16    55     0.97201   107.80831  -175.22857
   48    42 S   C    _C5_    58     1.38368   123.42124  -120.09405
   49    48 S   O    _O33    59     1.22762   125.76016    -1.48622
   50    44 S   CT   _C9_    44     1.53312   109.60980   -53.44624
   51    50 S   HC   _H6_    45     1.09801   110.36675   -60.66571
   52    44 S   OH   _O36    52     1.42915   108.78008    67.36044
   53    52 S   HO   _H15    53     0.97179   108.08247   168.72593
   54    48 S   CT   _C4_    60     1.50513   112.32004   179.23587
   55    54 S   HC   _H8_    61     1.09331   109.42379    74.99525
   56    54 S   HC   _H9_    62     1.09352   109.64896  -165.12134
   57    54 S   HC   _H10    63     1.09390   110.40805   -45.56618
   58    33 S   OS   _O34    46     1.42819   109.77325    64.92094
   59    50 S   CT   _C11    47     1.52813   112.59247   177.38791
   60    59 S   HC   _H12    48     1.09427   111.06458    49.43681
   61    59 S   HC   _H13    49     1.09475   111.51132   -73.27935
   62    59 S   OH   _O35    50     1.42511   108.91672   168.11469
   63    62 S   HO   _H14    51     0.97244   107.08660   177.70663
  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  15   8  14   7  10   3  12   7   3   1   5
   4   9   6   3   1   3   2   1   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    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    50    51    58    59    46    42    43    48  
   38    39    40    50    58    42  
   36    37  
   37  
    0  
   39    40    41    44    45    50    58    52    46    47    42    43    48    49    54  
   40    41    44    58    46    42    43    48  
   41    44    45    50    51    58    59    52    53    46    47    42    43    48  
   44    45    50    52    46    47    42  
   43    48    49    54    55    56    57    44    46    58  
   48    49    54  
   45    50    51    58    59    60    61    62    52    53    46    47  
   50    51    58    59    52    53    46  
   47    50    52  
    0  
   49    54    55    56    57  
   54    55    56    57  
   51    58    59    60    61    62    63    52    53  
   58    59    60    61    62    52  
   53    58    59  
    0  
   55    56    57  
   56    57  
   57  
    0  
   59    60    61    62  
   60    61    62    63  
   61    62    63  
   62    63  
   63  
    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   0.0300   0.060000   1.3810   1.2100   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   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   43   0.5000   0.0300   0.300000   1.5900   1.4000   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   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   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    58   320.000  1.410
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   337.000  1.449
   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    50   268.000  1.529
   44    52   320.000  1.410
   50    51   340.000  1.090
   50    58   320.000  1.410
   50    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   320.000  1.410
   62    63   553.000  0.945
   52    53   553.000  0.945
   46    47   553.000  0.945
   42    43   434.000  1.010
   42    48   490.000  1.335
   48    49   570.000  1.229
   48    54   317.000  1.522
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    58    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    70.00000  110.72300
   33    58    50    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    38.00000  118.40000
   38    42    48    50.00000  121.90000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    50    58.35000  112.70000
   40    44    52    50.00000  109.50000
   40    46    47    55.00000  108.50000
   44    40    41    37.50000  110.70000
   44    50    51    37.50000  110.70000
   44    50    58    50.00000  109.50000
   44    50    59    58.35000  112.70000
   44    52    53    55.00000  108.50000
   50    44    45    37.50000  110.70000
   50    59    60    37.50000  110.70000
   50    59    61    37.50000  110.70000
   50    59    62    50.00000  109.50000
   58    33    34    35.00000  109.50000
   58    33    38    50.00000  109.50000
   58    50    51    35.00000  109.50000
   59    50    51    37.50000  110.70000
   59    50    58    50.00000  109.50000
   59    62    63    55.00000  108.50000
   61    59    60    33.00000  107.80000
   62    59    60    35.00000  109.50000
   62    59    61    35.00000  109.50000
   52    44    45    35.00000  109.50000
   52    44    50    50.00000  109.50000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    70.00000  110.72300
   42    48    49    80.00000  122.90000
   42    48    54    70.00000  116.60000
   48    42    43    35.00000  119.80000
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    57    35.00000  109.50000
   54    48    49    80.00000  120.40000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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    58   0.13850  1.0 1.0
   24    29    33    58  -1.34450 -1.0 2.0
   24    29    33    58   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    58    50   0.14700  1.0 1.0
   29    33    58    50  -1.16150 -1.0 2.0
   29    33    58    50   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   0.00000  1.0 1.0
   33    38    42    48  -0.43950  1.0 1.0
   33    38    42    48  -0.08100 -1.0 2.0
   33    38    42    48   0.03350  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    58    50   0.37050  1.0 3.0
   38    33    58    50   0.06250  1.0 1.0
   38    33    58    50  -0.01100 -1.0 2.0
   38    33    58    50   0.28050  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    50   0.56750  1.0 1.0
   38    40   -44    50  -0.07550 -1.0 2.0
   38    40   -44    50   0.20000  1.0 3.0
   38    40    44    52   0.86500  1.0 1.0
   38    40    44    52  -0.17500 -1.0 2.0
   38    40    44    52   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   3.04450 -1.0 2.0
   38    42    48    54   1.49850  1.0 1.0
   38    42    48    54   1.53950 -1.0 2.0
   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   0.00000  1.0 1.0
   39    38    42    48   0.00000  1.0 1.0
   40    38    42    43   0.00000  1.0 1.0
   40    38    42    48  -0.43950  1.0 1.0
   40    38    42    48  -0.08100 -1.0 2.0
   40    38    42    48   0.03350  1.0 3.0
   40    44    50    51   0.15000  1.0 3.0
   40    44    50    58   0.62750  1.0 1.0
   40    44    50    58  -0.30950 -1.0 2.0
   40    44    50    58   0.27300  1.0 3.0
   40    44    50    59   0.56750  1.0 1.0
   40    44    50    59  -0.07550 -1.0 2.0
   40    44    50    59   0.20000  1.0 3.0
   40    44    52    53  -0.11600  1.0 1.0
   40    44    52    53  -0.09450 -1.0 2.0
   40    44    52    53   0.21250  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    50   0.15000  1.0 3.0
   41    40    44    52   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    50   -58    33   0.06250  1.0 1.0
   44    50   -58    33  -0.01100 -1.0 2.0
   44    50   -58    33   0.28050  1.0 3.0
   44    50    59    60   0.15000  1.0 3.0
   44    50    59    61   0.15000  1.0 3.0
   44    50    59    62   0.86500  1.0 1.0
   44    50    59    62  -0.17500 -1.0 2.0
   44    50    59    62   0.20800  1.0 3.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    58   0.23400  1.0 3.0
   45    44    50    59   0.15000  1.0 3.0
   45    44    52    53   0.19450  1.0 3.0
   50    44    52    53  -0.11600  1.0 1.0
   50    44    52    53  -0.09450 -1.0 2.0
   50    44    52    53   0.21250  1.0 3.0
   50    59    62    63  -0.11600  1.0 1.0
   50    59    62    63  -0.09450 -1.0 2.0
   50    59    62    63   0.21250  1.0 3.0
   51    50    58    33   0.37050  1.0 3.0
   51    50    59    60   0.15000  1.0 3.0
   51    50    59    61   0.15000  1.0 3.0
   51    50    59    62   0.23400  1.0 3.0
   58    33    38    39   0.23400  1.0 3.0
   58    33   -38    40   0.62750  1.0 1.0
   58    33   -38    40  -0.30950 -1.0 2.0
   58    33   -38    40   0.27300  1.0 3.0
   58    33    38    42   1.12100  1.0 1.0
   58    33    38    42  -0.16500 -1.0 2.0
   58    50    59    60   0.23400  1.0 3.0
   58    50    59    61   0.23400  1.0 3.0
   58    50    59    62   3.69350  1.0 1.0
   58    50    59    62  -1.82950 -1.0 2.0
   59    50    58    33   0.06250  1.0 1.0
   59    50    58    33  -0.01100 -1.0 2.0
   59    50    58    33   0.28050  1.0 3.0
   60    59    62    63   0.19450  1.0 3.0
   61    59    62    63   0.19450  1.0 3.0
   52    44    50    51   0.23400  1.0 3.0
   52    44    50    58   3.69350  1.0 1.0
   52    44    50    58  -1.82950 -1.0 2.0
   52    44    50    59   0.86500  1.0 1.0
   52    44    50    59  -0.17500 -1.0 2.0
   52    44    50    59   0.20800  1.0 3.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    50   0.86500  1.0 1.0
   46    40    44    50  -0.17500 -1.0 2.0
   46    40    44    50   0.20800  1.0 3.0
   46    40    44    52   3.75450  1.0 1.0
   42    38    40    41   0.15000  1.0 3.0
   42    38    40    44  -0.27100  1.0 1.0
   42    38    40    44  -0.01700 -1.0 2.0
   42    38    40    44  -0.48600  1.0 3.0
   42    38    40    46   2.76900  1.0 1.0
   42    38    40    46  -0.24350 -1.0 2.0
   42    38    40    46  -0.78250  1.0 3.0
   42    48    54    55   0.00000  1.0 1.0
   42    48    54    56   0.00000  1.0 1.0
   42    48    54    57   0.00000  1.0 1.0
   43    42    48    49   2.45000 -1.0 2.0
   43    42    48    54   2.45000 -1.0 2.0
   49    48    54    55   0.00000  1.0 1.0
   49    48    54    56   0.00000  1.0 1.0
   49    48    54    57   0.00000  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
   36    30    35    37  10.50000 -1.0 2.0
   43    48    42    38   1.00000 -1.0 2.0
   42    54    48    49  10.50000 -1.0 2.0
END
