* LIGAND DATABASE FILE (OPLS2005)
*
001      57    57    100    142     286
    1     0 S   NP   _N1_     1    28.34097    95.55430   -22.74837
    2     1 S   H    _HN1     2     1.02957    80.48982    -1.77938
    3     1 S   H    _H1_     3     1.02835    30.22291   149.64531
    4     1 S   H    _H2_     4     1.02776   103.83475  -108.47500
    5     1 S   CT   _CA1     5     1.50132   135.51647   107.70526
    6     5 S   HC   _HA1     6     1.09574   105.21266    80.26462
    7     5 S   CO3  _C1_     7     1.53785   112.35777   -39.92474
    8     7 S   O2Z  _O11     8     1.26366   114.99567   -43.88501
    9     7 S   O2Z  _O12     9     1.26235   114.93206   135.19896
   10     5 S   CT   _CB1    10     1.53094   107.41985  -161.82481
   11    10 S   HC   HB11    11     1.09827   109.33078   -50.42965
   12    10 S   HC   HB12    12     1.09816   110.42793    66.12570
   13    10 S   CT   _CG1    13     1.53021   112.67588  -171.49393
   14    13 S   HC   HG11    14     1.09593   110.49841   -64.49803
   15    13 S   HC   HG12    15     1.09657   109.91029    54.70438
   16    13 S   C    _CD1    16     1.51845   112.30527   175.07642
   17    16 S   O    _OE1    17     1.22756   123.26906     0.82543
   18    16 S   N    _N2_    18     1.38548   111.71099  -179.18123
   19    18 S   H    _HN2    19     1.01558   119.06582     4.34163
   20    18 S   CT1  _CA2    20     1.45813   122.90206   177.95378
   21    20 S   HC   _HA2    21     1.09748   108.87921    24.41809
   22    20 S   C    _C2_    22     1.52943   107.27251   -92.45833
   23    22 S   O    _O2_    23     1.22972   123.10083   -26.18667
   24    20 S   CT   _CB2    32     1.53175   112.17425   147.58269
   25    24 S   HC   HB21    33     1.09533   110.20457    52.03038
   26    24 S   HC   HB22    34     1.09326   109.55121   170.94926
   27    22 S   N    _N3_    24     1.38558   112.48819   156.37006
   28    27 S   H    _HN3    25     1.01667   120.30799    -1.48147
   29    24 S   S    _SG2    35     1.82561   110.83820   -68.86278
   30    27 S   CT   _CA3    26     1.45326   122.50471   178.46150
   31    30 S   HC   HA31    27     1.09567   107.62535   -59.14589
   32    30 S   HC   HA32    28     1.09563   107.76816    57.16184
   33    29 S   CT   _C8_    36     1.85255   100.40215  -179.42155
   34    33 S   Cl   Cl1_    37     1.81937   105.56870  -175.00409
   35    30 S   CO3  _C3_    29     1.52894   114.37805   179.02121
   36    35 S   O2Z  _O31    30     1.26327   116.11497    -2.24855
   37    35 S   O2Z  _O32    31     1.26453   114.39431   177.81153
   38    33 S   NI   _N6_    38     1.46019   116.17451   -59.12441
   39    38 S   CDX  _C9_    39     1.29321   117.20260   109.67267
   40    39 S   NI   _N7_    40     1.37208   122.20565     0.34378
   41    39 S   NE   _N8_    55     1.36842   120.20673  -179.25244
   42    41 S   H    _H11    56     1.01243   120.70603  -179.92598
   43    41 S   H    _H12    57     1.01240   120.77624    -0.43879
   44    40 S   CDX  _C7_    41     1.29990   119.89231    11.78643
   45    33 S   NM   _N5_    42     1.45218   109.75656    74.29243
   46    44 S   NE   _N4_    43     1.37868   121.02103   178.70926
   47    46 S   H    _H10    44     1.01621   115.62613     1.71304
   48    46 S   CT   _C5_    45     1.45643   128.39063   173.70082
   49    48 S   HC   _H6_    46     1.09605   110.83483    34.50080
   50    48 S   CT   _C4_    47     1.52595   109.54617   -86.44802
   51    50 S   HC   _H3_    48     1.09578   111.31095   -57.66034
   52    50 S   HC   _H4_    49     1.09483   111.13275    62.06780
   53    50 S   HC   _H5_    50     1.09496   110.87384  -178.08225
   54    48 S   CT   _C6_    51     1.52772   108.87706   152.57558
   55    54 S   HC   _H7_    52     1.09590   111.49105    60.53972
   56    54 S   HC   _H8_    53     1.09560   110.70303   -59.14427
   57    54 S   HC   _H9_    54     1.09500   110.85035  -178.99790
  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
   8   4   2   1   1   7   7   8   3   1   1   7   3  11   4   9
   8   7   3   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    45    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    46    41  
   38    39    44    45  
   36    37  
   37  
    0  
   39    40    44    45    41    42    43  
   40    44    45    46    41    42    43  
   44    45    46    47    48    41    42    43  
   42    43    44  
   43  
    0  
   45    46    47    48    49    50    54  
   46    47    48  
   47    48    49    50    51    52    53    54    55    56    57  
   48    49    50    54  
   49    50    51    52    53    54    55    56    57  
   50    51    52    53    54    55    56    57  
   51    52    53    54    55    56    57  
   52    53    54  
   53    54  
   54  
   55    56    57  
   56    57  
   57  
    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  -0.175000   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   0.452500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   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   3.2800   0.1700  -0.481500   1.8540   1.6400   0.005000000   0.000000000
   39   3.7500   0.1050   0.693000   2.1120   1.8750   0.001000000  -0.126889456
   40   3.2800   0.1700  -0.718000   1.8540   1.6400   0.005000000   0.000000000
   41   3.2500   0.1700  -0.795000   1.8650   1.6500   0.051222218  -2.220205820
   42   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   43   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.7500   0.1050   0.456500   2.1120   1.8750   0.001000000  -0.126889456
   45   3.4200   0.1700  -1.245000   1.9310   1.7100   0.005000000   0.000000000
   46   3.2500   0.1700  -0.507500   1.8650   1.6500   0.051222218  -2.220205820
   47   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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   245.000  1.781
   33    38   315.000  1.435
   33    45   320.000  1.444
   38    39   650.000  1.285
   39    40   630.000  1.388
   39    41   445.000  1.380
   40    44   650.000  1.285
   44    45   430.000  1.365
   44    46   445.000  1.380
   46    47   434.000  1.010
   46    48   382.000  1.448
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    54   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   41    42   434.000  1.010
   41    43   434.000  1.010
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    85.00000  110.65400
   29    33    38    75.00000  111.34000
   29    33    45    85.00000  109.00000
   33    38    39    75.00000  112.28000
   33    45    44    70.00000  118.22000
   38    33    34    85.00000  105.00000
   38    39    40    75.00000  130.08800
   38    39    41    75.00000  124.36500
   39    40    44    80.00000  112.53000
   39    41    42    35.00000  119.50000
   39    41    43    35.00000  119.50000
   40    44    45    75.00000  125.50000
   40    44    46    75.00000  124.36500
   44    46    47    35.00000  119.50000
   44    46    48    50.00000  119.50000
   45    33    34    85.00000  105.00000
   45    33    38    85.00000  109.00000
   46    44    45    80.00000  117.43000
   46    48    49    35.00000  109.50000
   46    48    50    80.00000  111.61500
   46    48    54    80.00000  111.61500
   48    46    47    35.00000  112.50000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    53    37.50000  110.70000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    57    37.50000  110.70000
   50    48    49    37.50000  110.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   54    48    49    37.50000  110.70000
   54    48    50    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   41    39    40    75.00000  124.36500
   43    41    42    35.00000  109.00000
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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  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    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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  -0.12500  1.0 1.0
   29    33    38    39  -0.12500 -1.0 2.0
   29    33    38    39   0.25000  1.0 3.0
   29    33    45    44   0.00000  1.0 1.0
   33    38    39    40   6.00000 -1.0 2.0
   33    38    39    41   0.32050  1.0 1.0
   33    38    39    41   8.28000 -1.0 2.0
   34    33    38    39  -0.12500  1.0 1.0
   34    33    38    39  -0.12500 -1.0 2.0
   34    33    38    39   0.25000  1.0 3.0
   34    33    45    44   0.00000  1.0 1.0
   38    33    45    44   0.00000  1.0 1.0
   38    39   -40    44   0.00050  1.0 1.0
   38    39   -40    44   2.00000 -1.0 2.0
   38    39    41    42   1.50000 -1.0 2.0
   38    39    41    43   1.50000 -1.0 2.0
   39    40    44    45   6.00000 -1.0 2.0
   39    40    44    46   6.00000 -1.0 2.0
   40    39    41    42   1.50000 -1.0 2.0
   40    39    41    43   1.50000 -1.0 2.0
   40    44   -45    33   0.00000  1.0 1.0
   40    44    46    47   1.50000 -1.0 2.0
   40    44    46    48  -0.86000  1.0 1.0
   40    44    46    48   0.84650 -1.0 2.0
   44    46    48    49   0.00000  1.0 1.0
   44    46    48    50   0.38950  1.0 1.0
   44    46    48    50  -0.47050 -1.0 2.0
   44    46    48    50   0.83150  1.0 3.0
   44    46    48    54   0.38950  1.0 1.0
   44    46    48    54  -0.47050 -1.0 2.0
   44    46    48    54   0.83150  1.0 3.0
   45    33   -38    39  -0.12500  1.0 1.0
   45    33   -38    39  -0.12500 -1.0 2.0
   45    33   -38    39   0.25000  1.0 3.0
   45    44    46    47   1.00000 -1.0 2.0
   45    44    46    48   1.00000 -1.0 2.0
   46    44    45    33   0.00000  1.0 1.0
   46    48    50    51   0.22950  1.0 3.0
   46    48    50    52   0.22950  1.0 3.0
   46    48    50    53   0.22950  1.0 3.0
   46    48    54    55   0.22950  1.0 3.0
   46    48    54    56   0.22950  1.0 3.0
   46    48    54    57   0.22950  1.0 3.0
   47    46    48    49   0.00000  1.0 1.0
   47    46    48    50   0.00000  1.0 1.0
   47    46    48    54   0.00000  1.0 1.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    53   0.15000  1.0 3.0
   49    48    54    55   0.15000  1.0 3.0
   49    48    54    56   0.15000  1.0 3.0
   49    48    54    57   0.15000  1.0 3.0
   50    48    54    55   0.15000  1.0 3.0
   50    48    54    56   0.15000  1.0 3.0
   50    48    54    57   0.15000  1.0 3.0
   54    48    50    51   0.15000  1.0 3.0
   54    48    50    52   0.15000  1.0 3.0
   54    48    50    53   0.15000  1.0 3.0
   41    39    40    44   0.00050  1.0 1.0
   41    39    40    44   2.00000 -1.0 2.0
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
   40    41    39    38  10.50000 -1.0 2.0
   45    46    44    40  10.50000 -1.0 2.0
   47    44    46    48   1.00000 -1.0 2.0
   43    39    41    42   1.00000 -1.0 2.0
END
