* LIGAND DATABASE FILE (OPLS2005)
*
001      57    56    100    140     290
    1     0 S   NP   _N1_     1    30.31455    90.36974   -19.60732
    2     1 S   H    _HN1     2     1.03229   131.22626    77.54178
    3     1 S   H    _H1_     3     1.02621    26.81899    43.71127
    4     1 S   H    _H2_     4     1.03553   107.17252   -52.40224
    5     1 S   CT   _CA1     5     1.49785    88.86968  -164.62335
    6     5 S   HC   _HA1     6     1.09569   105.18162    49.51572
    7     5 S   CO3  _C1_     7     1.53665   113.20022   -70.93554
    8     7 S   O2Z  _O11     8     1.26331   115.41773   -43.63371
    9     7 S   O2Z  _O12     9     1.26344   114.84244   135.78065
   10     5 S   CT   _CB1    10     1.52811   107.00661   167.30678
   11    10 S   HC   HB11    11     1.09769   109.40581   -49.70227
   12    10 S   HC   HB12    12     1.09819   110.16251    66.29083
   13    10 S   CT   _CG1    13     1.52999   113.42114  -170.74097
   14    13 S   HC   HG11    14     1.09536   111.34161   -70.91380
   15    13 S   HC   HG12    15     1.09572   110.96683    49.12049
   16    13 S   C    _CD1    16     1.51305   108.95701   168.16725
   17    16 S   O    _OE1    17     1.22841   121.95670  -101.80821
   18    16 S   N    _N2_    18     1.38334   112.74896    75.47641
   19    18 S   H    _HN2    19     1.01561   119.40876     7.51165
   20    18 S   CT1  _CA2    20     1.45411   122.34053  -169.23122
   21    20 S   HC   _HA2    21     1.09695   107.99913    33.35243
   22    20 S   C    _C2_    22     1.52933   108.22827   -83.93251
   23    22 S   O    _O2_    23     1.22947   123.12957   -26.42412
   24    20 S   CT   _CB2    32     1.53274   112.50360   155.53602
   25    24 S   HC   HB21    33     1.09670   109.78935    71.15755
   26    24 S   HC   HB22    34     1.09590   110.37353  -172.08483
   27    22 S   N    _N3_    24     1.38517   112.43277   156.45203
   28    27 S   H    _HN3    25     1.01644   120.35942    -2.65277
   29    24 S   S    _SG2    35     1.82907   115.67028   -48.81147
   30    27 S   CT   _CA3    26     1.45350   122.52804   178.52966
   31    30 S   HC   HA31    27     1.09565   107.85101   -55.08585
   32    30 S   HC   HA32    28     1.09560   107.59258    61.27664
   33    29 S   CT   _C8_    36     1.83248   100.64368   -54.51452
   34    33 S   HC   _H10    37     1.09424   107.75076   -38.78424
   35    33 S   HC   _H11    38     1.09302   108.04631    79.68621
   36    30 S   CO3  _C3_    29     1.52899   114.25610  -177.01482
   37    36 S   O2Z  _O31    30     1.26347   116.03820    -0.22555
   38    36 S   O2Z  _O32    31     1.26429   114.42657   179.73459
   39    33 S   CT   _C7_    39     1.53913   109.77242  -158.74418
   40    39 S   HC   _H3_    40     1.09516   109.44766   -47.67059
   41    39 S   CT   _C5_    41     1.55923   113.75125  -168.95792
   42    39 S   OH   _O34    56     1.43190   108.24352    68.39822
   43    42 S   HO   _H12    57     0.97285   106.93877   -57.66839
   44    41 S   CT   _C4_    42     1.54154   110.64730   -61.96209
   45    44 S   HC   _H4_    43     1.09563   111.28796    65.02503
   46    44 S   HC   _H5_    44     1.09676   110.39631  -177.94910
   47    44 S   HC   _H6_    45     1.09428   112.63212   -56.98645
   48    41 S   CT   _C6_    46     1.54528   111.60807   177.13802
   49    48 S   HC   _H7_    47     1.09507   110.63332   -53.75513
   50    48 S   HC   _H8_    48     1.09553   110.30798  -172.83645
   51    41 S   OS   _O35    51     1.43738   110.10475    53.35052
   52    48 S   OH   _O33    49     1.42214   112.60359    66.99242
   53    52 S   HO   _H9_    50     0.97209   106.81136  -178.40492
   54    51 S   P3   _P1_    52     1.64545   125.26507    79.91557
   55    54 S   O2Z  _O37    53     1.52665   103.52156  -173.13242
   56    54 S   O2Z  _O38    54     1.52312   105.56912    67.73219
   57    54 S   O2Z  _O36    55     1.52378   105.68381   -54.06304
  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   7   5   4   3
  10   5   4   2   1   1  14   6  16   4   1   9   4   3   2   6
   4   3   5   1   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    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    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    48    51    42    43  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    44    45    46    47    48    49    50    52    51    54    42    43  
   41    44    48    51    42    43  
   44    45    46    47    48    49    50    52    53    51    54    55    56    57    42    43  
   43    44    48    51  
    0  
   45    46    47    48    49    50    52    51    54  
   46    47    48    51  
   47    48    51  
   48    51  
   49    50    52    53    51    54  
   50    52    53    51  
   52    53    51  
   54    55    56    57    52  
   53  
    0  
   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  -0.335000   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.8500   0.1400  -0.760000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   55   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   56   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   57   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
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   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    42   320.000  1.410
   41    44   268.000  1.529
   41    48   268.000  1.529
   41    51   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   320.000  1.410
   52    53   553.000  0.945
   51    54   230.000  1.630
   54    55   525.000  1.516
   54    56   525.000  1.516
   54    57   525.000  1.516
   42    43   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  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    42    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    44    58.35000  112.70000
   39    41    48    58.35000  112.70000
   39    41    51    50.00000  109.50000
   39    42    43    55.00000  108.50000
   41    39    40    37.50000  110.70000
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    47    37.50000  110.70000
   41    48    49    37.50000  110.70000
   41    48    50    37.50000  110.70000
   41    48    52    50.00000  109.50000
   41    51    54    80.00000  112.68000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    41    44    58.35000  112.70000
   48    52    53    55.00000  108.50000
   50    48    49    33.00000  107.80000
   52    48    49    35.00000  109.50000
   52    48    50    35.00000  109.50000
   51    41    44    50.00000  109.50000
   51    41    48    50.00000  109.50000
   51    54    55   100.00000  107.00000
   51    54    56   100.00000  107.00000
   51    54    57   100.00000  107.00000
   56    54    55   140.00000  114.00000
   57    54    55   140.00000  114.00000
   57    54    56   140.00000  114.00000
   42    39    40    35.00000  109.50000
   42    39    41    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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    41    44   0.56750  1.0 1.0
   33    39    41    44  -0.07550 -1.0 2.0
   33    39    41    44   0.20000  1.0 3.0
   33    39    41    48   0.56750  1.0 1.0
   33    39    41    48  -0.07550 -1.0 2.0
   33    39    41    48   0.20000  1.0 3.0
   33    39    41    51   0.62750  1.0 1.0
   33    39    41    51  -0.30950 -1.0 2.0
   33    39    41    51   0.27300  1.0 3.0
   33    39    42    43  -0.11600  1.0 1.0
   33    39    42    43  -0.09450 -1.0 2.0
   33    39    42    43   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    42   0.23400  1.0 3.0
   39    41    44    45   0.15000  1.0 3.0
   39    41    44    46   0.15000  1.0 3.0
   39    41    44    47   0.15000  1.0 3.0
   39    41    48    49   0.15000  1.0 3.0
   39    41    48    50   0.15000  1.0 3.0
   39    41    48    52   0.86500  1.0 1.0
   39    41    48    52  -0.17500 -1.0 2.0
   39    41    48    52   0.20800  1.0 3.0
   39    41    51    54  -2.65550  1.0 1.0
   39    41    51    54  -0.22350 -1.0 2.0
   39    41    51    54   0.24150  1.0 3.0
   40    39    41    44   0.15000  1.0 3.0
   40    39    41    48   0.15000  1.0 3.0
   40    39    41    51   0.23400  1.0 3.0
   40    39    42    43   0.19450  1.0 3.0
   41    39    42    43  -0.11600  1.0 1.0
   41    39    42    43  -0.09450 -1.0 2.0
   41    39    42    43   0.21250  1.0 3.0
   41    48    52    53  -0.11600  1.0 1.0
   41    48    52    53  -0.09450 -1.0 2.0
   41    48    52    53   0.21250  1.0 3.0
   41    51    54    55   0.00000  1.0 1.0
   41    51    54    56   0.00000  1.0 1.0
   41    51    54    57   0.00000  1.0 1.0
   44    41    48    49   0.15000  1.0 3.0
   44    41    48    50   0.15000  1.0 3.0
   44    41    48    52   0.86500  1.0 1.0
   44    41    48    52  -0.17500 -1.0 2.0
   44    41    48    52   0.20800  1.0 3.0
   44    41    51    54  -2.65550  1.0 1.0
   44    41    51    54  -0.22350 -1.0 2.0
   44    41    51    54   0.24150  1.0 3.0
   48    41    44    45   0.15000  1.0 3.0
   48    41    44    46   0.15000  1.0 3.0
   48    41    44    47   0.15000  1.0 3.0
   48    41    51    54  -2.65550  1.0 1.0
   48    41    51    54  -0.22350 -1.0 2.0
   48    41    51    54   0.24150  1.0 3.0
   49    48    52    53   0.19450  1.0 3.0
   50    48    52    53   0.19450  1.0 3.0
   51    41    44    45   0.23400  1.0 3.0
   51    41    44    46   0.23400  1.0 3.0
   51    41    44    47   0.23400  1.0 3.0
   51    41    48    49   0.23400  1.0 3.0
   51    41    48    50   0.23400  1.0 3.0
   51    41    48    52   3.69350  1.0 1.0
   51    41    48    52  -1.82950 -1.0 2.0
   42    39    41    44   0.86500  1.0 1.0
   42    39    41    44  -0.17500 -1.0 2.0
   42    39    41    44   0.20800  1.0 3.0
   42    39    41    48   0.86500  1.0 1.0
   42    39    41    48  -0.17500 -1.0 2.0
   42    39    41    48   0.20800  1.0 3.0
   42    39    41    51   3.69350  1.0 1.0
   42    39    41    51  -1.82950 -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
   37    30    36    38  10.50000 -1.0 2.0
END
