* LIGAND DATABASE FILE (OPLS2005)
*
001      57    59    110    184     326
    1     0 S   NP   _N1_     1    28.52349    94.69673   -22.85352
    2     1 S   H    _HN1     2     1.02778   100.66933   -75.52805
    3     1 S   H    _H1_     3     1.02961    84.45638    32.11686
    4     1 S   H    _H2_     4     1.02837    27.96772   176.30324
    5     1 S   CT   _CA1     5     1.50113   136.00064   145.93029
    6     5 S   HC   _HA1     6     1.09575   105.24278    73.85219
    7     5 S   CO3  _C1_     7     1.53786   112.35804   -46.37283
    8     7 S   O2Z  _O11     8     1.26358   115.00468   -44.84627
    9     7 S   O2Z  _O12     9     1.26237   114.91289   134.34228
   10     5 S   CT   _CB1    10     1.53097   107.43535  -168.25306
   11    10 S   HC   HB11    11     1.09824   109.34363   -50.99722
   12    10 S   HC   HB12    12     1.09820   110.41584    65.54983
   13    10 S   CT   _CG1    13     1.53009   112.66498  -172.10845
   14    13 S   HC   HG11    14     1.09601   110.42739   -63.38610
   15    13 S   HC   HG12    15     1.09649   110.00715    55.83651
   16    13 S   C    _CD1    16     1.51812   112.31234   176.19399
   17    16 S   O    _OE1    17     1.22722   123.27852    -2.81939
   18    16 S   N    _N2_    18     1.38619   111.63653   177.31416
   19    18 S   H    _HN2    19     1.01597   119.01662     1.03816
   20    18 S   CT1  _CA2    20     1.46208   123.38981  -179.55589
   21    20 S   HC   _HA2    21     1.09733   109.39423   -10.47659
   22    20 S   C    _C2_    22     1.53440   108.39454  -126.13591
   23    22 S   O    _O2_    23     1.23018   122.20894  -146.24948
   24    20 S   CT   _CB2    32     1.53347   111.44971   111.60767
   25    24 S   HC   HB21    33     1.09601   109.76412    55.56991
   26    24 S   HC   HB22    34     1.09549   110.37891   174.03484
   27    22 S   N    _N3_    24     1.38494   113.41505    41.13364
   28    27 S   H    _HN3    25     1.01521   118.93094    -0.67840
   29    24 S   S    _SG2    35     1.82419   111.82770   -65.70981
   30    27 S   CT   _CA3    26     1.45453   123.50499   175.13824
   31    30 S   HC   HA31    27     1.09517   109.32940    22.70920
   32    30 S   HC   HA32    28     1.09498   107.10209   139.72585
   33    29 S   CM   _C6_    36     1.71201   100.02007   173.79180
   34    30 S   CO3  _C3_    29     1.52915   113.03972  -100.83169
   35    34 S   O2Z  _O31    30     1.26408   115.37428   -45.17886
   36    34 S   O2Z  _O32    31     1.26350   115.00601   135.74866
   37    33 S   CM   _C7_    37     1.34316   127.53341    86.39951
   38    37 S   Cl   CL13    38     1.69736   128.15815    -1.77938
   39    37 S   CT   _C12    39     1.51926   107.97277   176.32992
   40    39 S   Cl   CL15    40     1.75334   116.37704   159.70859
   41    39 S   CT   _C10    41     1.56831   109.05047   -70.33159
   42    41 S   HC   _H22    42     1.09853   110.16237  -177.97300
   43    41 S   CT   _C8_    43     1.57258   101.83714    65.76252
   44    43 S   HC   _H20    44     1.09700   110.10623   120.46751
   45    43 S   CM   _C4_    45     1.49435   103.78777  -122.59578
   46    45 S   HC   _H18    46     1.08115   123.64203   179.19594
   47    33 S   CT   _C11    53     1.52739   126.01373   -98.27906
   48    47 S   Cl   CL14    54     1.75489   116.59138    23.56467
   49    45 S   CM   _C5_    47     1.33694   112.20399    -1.31938
   50    49 S   HC   _H19    48     1.08131   123.60044  -179.69036
   51    39 S   CT   _C13    55     1.56277    99.04174    35.61380
   52    51 S   Cl   CL16    56     1.80341   114.53478    65.01543
   53    51 S   Cl   CL17    57     1.79453   114.96019  -171.52004
   54    41 S   CT   _C9_    49     1.53663   118.04125   -50.44481
   55    54 S   HC   _H21    50     1.09239   113.32495   -10.34060
   56    54 S   OH   _O33    51     1.42164   109.45884  -131.26119
   57    56 S   HO   _H23    52     0.97257   107.58463  -176.71127
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   8   5   4   3
  13   2   1   1  12   5  15   8  16   9  13   7   9   4   6   3
   5   3   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    47    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    47    48    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    43    44    45    47    48    51    52    53  
   35    36  
   36  
    0  
   38    39    40    41    42    43    54    47    48    51    52    53  
   39    40    41    47    51  
   40    41    42    43    44    45    49    54    55    56    47    48    51    52    53  
   41    42    43    54    47    51    52    53  
   42    43    44    45    46    49    50    54    55    56    57    47    48    51    52    53  
   43    44    45    49    54    55    56    47    51  
   44    45    46    49    50    54    55    56    47    48    51    52    53  
   45    46    49    54    47    48    51  
   46    49    50    54    55    56    47    48    51  
   49    50    54    47  
   48    51    52    53    49    54  
   51    52    53  
   50    54    55    56    57  
   54    55    56  
   52    53    54  
   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  -0.175000   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   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   39   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.271600   1.9750   1.7500   0.005000000  -0.741685710
   52   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
   53   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   240.000  1.763
   33    37   549.000  1.340
   33    47   317.000  1.510
   37    38   300.000  1.725
   37    39   317.000  1.510
   39    40   245.000  1.781
   39    41   268.000  1.529
   39    51   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    54   268.000  1.529
   43    44   340.000  1.090
   43    45   317.000  1.510
   43    47   268.000  1.529
   45    46   340.000  1.080
   45    49   549.000  1.340
   49    50   340.000  1.080
   49    54   317.000  1.510
   54    55   340.000  1.090
   54    56   320.000  1.410
   56    57   553.000  0.945
   47    48   245.000  1.781
   47    51   268.000  1.529
   51    52   245.000  1.781
   51    53   245.000  1.781
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    65.00000  122.11800
   29    33    47    65.00000  117.37300
   33    37    38    75.00000  121.50000
   33    37    39    70.00000  124.00000
   33    47    43    70.00000  112.02700
   33    47    48    75.00000  111.90500
   33    47    51    70.00000  112.02700
   37    39    40    75.00000  111.90500
   37    39    41    70.00000  112.02700
   37    39    51    70.00000  112.02700
   39    37    38    75.00000  111.02000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    54    58.35000  112.70000
   39    51    47    58.35000  112.70000
   39    51    52    69.00000  109.80000
   39    51    53    69.00000  109.80000
   41    39    40    69.00000  109.80000
   41    43    44    37.50000  110.70000
   41    43    45    70.00000  112.02700
   41    43    47    58.35000  112.70000
   41    54    49    70.00000  112.02700
   41    54    55    37.50000  110.70000
   41    54    56    50.00000  109.50000
   43    41    42    37.50000  110.70000
   43    45    46    35.00000  117.00000
   43    45    49    70.00000  124.00000
   43    47    48    69.00000  109.80000
   43    47    51    58.35000  112.70000
   45    43    44    35.00000  109.50000
   45    49    50    35.00000  120.00000
   45    49    54    70.00000  124.00000
   49    45    46    35.00000  120.00000
   49    54    55    35.00000  109.50000
   49    54    56    90.00000  110.39200
   54    41    42    37.50000  110.70000
   54    41    43    58.35000  112.70000
   54    49    50    35.00000  117.00000
   54    56    57    55.00000  108.50000
   56    54    55    35.00000  109.50000
   47    33    37    70.00000  124.00000
   47    43    44    37.50000  110.70000
   47    43    45    70.00000  112.02700
   47    51    52    69.00000  109.80000
   47    51    53    69.00000  109.80000
   51    39    40    69.00000  109.80000
   51    39    41    58.35000  112.70000
   51    47    48    69.00000  109.80000
   53    51    52    80.00000  110.42200
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   0.00000  1.0 1.0
   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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   1.00000 -1.0 2.0
   24    29    33    47   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   7.00000 -1.0 2.0
   29    33    37    39   7.00000 -1.0 2.0
   29    33    47    43   0.09700  1.0 1.0
   29    33    47    43   0.15600 -1.0 2.0
   29    33    47    43  -0.50800  1.0 3.0
   29    33    47    48   0.09700  1.0 1.0
   29    33    47    48   0.15600 -1.0 2.0
   29    33    47    48  -0.50800  1.0 3.0
   29    33    47    51   0.09700  1.0 1.0
   29    33    47    51   0.15600 -1.0 2.0
   29    33    47    51  -0.50800  1.0 3.0
   33    37    39    40   0.09700  1.0 1.0
   33    37    39    40   0.15600 -1.0 2.0
   33    37    39    40  -0.50800  1.0 3.0
   33    37    39    41   0.09850  1.0 1.0
   33    37    39    41   0.15250 -1.0 2.0
   33    37    39    41  -0.50650  1.0 3.0
   33    37   -39    51   0.09850  1.0 1.0
   33    37   -39    51   0.15250 -1.0 2.0
   33    37   -39    51  -0.50650  1.0 3.0
   33    47   -51    39   0.34400  1.0 1.0
   33    47   -51    39   0.09450 -1.0 2.0
   33    47   -51    39   0.11100  1.0 3.0
   33    47    51    52   0.56750  1.0 1.0
   33    47    51    52  -0.07550 -1.0 2.0
   33    47    51    52   0.20000  1.0 3.0
   33    47    51    53   0.56750  1.0 1.0
   33    47    51    53  -0.07550 -1.0 2.0
   33    47    51    53   0.20000  1.0 3.0
   37    33    47    43   0.09850  1.0 1.0
   37    33    47    43   0.15250 -1.0 2.0
   37    33    47    43  -0.50650  1.0 3.0
   37    33    47    48   0.09700  1.0 1.0
   37    33    47    48   0.15600 -1.0 2.0
   37    33    47    48  -0.50800  1.0 3.0
   37    33   -47    51   0.09850  1.0 1.0
   37    33   -47    51   0.15250 -1.0 2.0
   37    33   -47    51  -0.50650  1.0 3.0
   37    39    41    42   0.15000  1.0 3.0
   37    39   -41    43   0.34400  1.0 1.0
   37    39   -41    43   0.09450 -1.0 2.0
   37    39   -41    43   0.11100  1.0 3.0
   37    39    41    54   0.34400  1.0 1.0
   37    39    41    54   0.09450 -1.0 2.0
   37    39    41    54   0.11100  1.0 3.0
   37    39   -51    47   0.34400  1.0 1.0
   37    39   -51    47   0.09450 -1.0 2.0
   37    39   -51    47   0.11100  1.0 3.0
   37    39    51    52   0.56750  1.0 1.0
   37    39    51    52  -0.07550 -1.0 2.0
   37    39    51    52   0.20000  1.0 3.0
   37    39    51    53   0.56750  1.0 1.0
   37    39    51    53  -0.07550 -1.0 2.0
   37    39    51    53   0.20000  1.0 3.0
   38    37    39    40   0.09700  1.0 1.0
   38    37    39    40   0.15600 -1.0 2.0
   38    37    39    40  -0.50800  1.0 3.0
   38    37    39    41   0.09700  1.0 1.0
   38    37    39    41   0.15600 -1.0 2.0
   38    37    39    41  -0.50800  1.0 3.0
   38    37    39    51   0.09700  1.0 1.0
   38    37    39    51   0.15600 -1.0 2.0
   38    37    39    51  -0.50800  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41    43    45   0.34400  1.0 1.0
   39    41    43    45   0.09450 -1.0 2.0
   39    41    43    45   0.11100  1.0 3.0
   39    41   -43    47   0.56750  1.0 1.0
   39    41   -43    47  -0.07550 -1.0 2.0
   39    41   -43    47   0.20000  1.0 3.0
   39    41    54    49   0.34400  1.0 1.0
   39    41    54    49   0.09450 -1.0 2.0
   39    41    54    49   0.11100  1.0 3.0
   39    41    54    55   0.15000  1.0 3.0
   39    41    54    56   0.86500  1.0 1.0
   39    41    54    56  -0.17500 -1.0 2.0
   39    41    54    56   0.20800  1.0 3.0
   40    39    41    42   0.27000  1.0 3.0
   40    39    41    43   0.35600  1.0 1.0
   40    39    41    43  -0.14650 -1.0 2.0
   40    39    41    43   0.33350  1.0 3.0
   40    39    41    54   0.35600  1.0 1.0
   40    39    41    54  -0.14650 -1.0 2.0
   40    39    41    54   0.33350  1.0 3.0
   40    39    51    47   0.35600  1.0 1.0
   40    39    51    47  -0.14650 -1.0 2.0
   40    39    51    47   0.33350  1.0 3.0
   40    39    51    52   0.22500  1.0 1.0
   40    39    51    53   0.22500  1.0 1.0
   41    39   -51    47   0.56750  1.0 1.0
   41    39   -51    47  -0.07550 -1.0 2.0
   41    39   -51    47   0.20000  1.0 3.0
   41    39    51    52   0.35600  1.0 1.0
   41    39    51    52  -0.14650 -1.0 2.0
   41    39    51    52   0.33350  1.0 3.0
   41    39    51    53   0.35600  1.0 1.0
   41    39    51    53  -0.14650 -1.0 2.0
   41    39    51    53   0.33350  1.0 3.0
   41    43    45    46   0.00000  1.0 1.0
   41    43   -45    49   0.09850  1.0 1.0
   41    43   -45    49   0.15250 -1.0 2.0
   41    43   -45    49  -0.50650  1.0 3.0
   41    43   -47    33   0.34400  1.0 1.0
   41    43   -47    33   0.09450 -1.0 2.0
   41    43   -47    33   0.11100  1.0 3.0
   41    43    47    48   0.35600  1.0 1.0
   41    43    47    48  -0.14650 -1.0 2.0
   41    43    47    48   0.33350  1.0 3.0
   41    43   -47    51   0.56750  1.0 1.0
   41    43   -47    51  -0.07550 -1.0 2.0
   41    43   -47    51   0.20000  1.0 3.0
   41    54    56    57  -0.11600  1.0 1.0
   41    54    56    57  -0.09450 -1.0 2.0
   41    54    56    57   0.21250  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    54    49   0.15000  1.0 3.0
   42    41    54    55   0.15000  1.0 3.0
   42    41    54    56   0.23400  1.0 3.0
   43    41   -54    49   0.34400  1.0 1.0
   43    41   -54    49   0.09450 -1.0 2.0
   43    41   -54    49   0.11100  1.0 3.0
   43    41    54    55   0.15000  1.0 3.0
   43    41    54    56   0.86500  1.0 1.0
   43    41    54    56  -0.17500 -1.0 2.0
   43    41    54    56   0.20800  1.0 3.0
   43    45    49    50   7.00000 -1.0 2.0
   43    45   -49    54   7.00000 -1.0 2.0
   43    47   -51    39   0.56750  1.0 1.0
   43    47   -51    39  -0.07550 -1.0 2.0
   43    47   -51    39   0.20000  1.0 3.0
   43    47    51    52   0.35600  1.0 1.0
   43    47    51    52  -0.14650 -1.0 2.0
   43    47    51    52   0.33350  1.0 3.0
   43    47    51    53   0.35600  1.0 1.0
   43    47    51    53  -0.14650 -1.0 2.0
   43    47    51    53   0.33350  1.0 3.0
   44    43    45    46   0.33100  1.0 3.0
   44    43    45    49   0.00000  1.0 1.0
   44    43    47    33   0.15000  1.0 3.0
   44    43    47    48   0.27000  1.0 3.0
   44    43    47    51   0.15000  1.0 3.0
   45    43    47    33   0.31000  1.0 1.0
   45    43    47    33   0.14700 -1.0 2.0
   45    43    47    33   0.07550  1.0 3.0
   45    43    47    48   0.56750  1.0 1.0
   45    43    47    48  -0.07550 -1.0 2.0
   45    43    47    48   0.20000  1.0 3.0
   45    43    47    51   0.34400  1.0 1.0
   45    43    47    51   0.09450 -1.0 2.0
   45    43    47    51   0.11100  1.0 3.0
   45    49   -54    41   0.09850  1.0 1.0
   45    49   -54    41   0.15250 -1.0 2.0
   45    49   -54    41  -0.50650  1.0 3.0
   45    49    54    55   0.00000  1.0 1.0
   45    49    54    56   0.67800  1.0 1.0
   45    49    54    56   0.47050 -1.0 2.0
   45    49    54    56  -0.62500  1.0 3.0
   46    45    49    50   7.00000 -1.0 2.0
   46    45    49    54   7.00000 -1.0 2.0
   49    54    56    57  -0.07800  1.0 1.0
   49    54    56    57  -0.21500 -1.0 2.0
   49    54    56    57  -0.03150  1.0 3.0
   50    49    54    41   0.00000  1.0 1.0
   50    49    54    55   0.33100  1.0 3.0
   50    49    54    56   0.00000  1.0 1.0
   54    41    43    44   0.15000  1.0 3.0
   54    41   -43    45   0.34400  1.0 1.0
   54    41   -43    45   0.09450 -1.0 2.0
   54    41   -43    45   0.11100  1.0 3.0
   54    41    43    47   0.56750  1.0 1.0
   54    41    43    47  -0.07550 -1.0 2.0
   54    41    43    47   0.20000  1.0 3.0
   55    54    56    57   0.19450  1.0 3.0
   47    33    37    38   7.00000 -1.0 2.0
   47    33   -37    39   7.00000 -1.0 2.0
   47    43    45    46   0.00000  1.0 1.0
   47    43    45    49   0.09850  1.0 1.0
   47    43    45    49   0.15250 -1.0 2.0
   47    43    45    49  -0.50650  1.0 3.0
   48    47    51    39   0.35600  1.0 1.0
   48    47    51    39  -0.14650 -1.0 2.0
   48    47    51    39   0.33350  1.0 3.0
   48    47    51    52   0.22500  1.0 1.0
   48    47    51    53   0.22500  1.0 1.0
   51    39    41    42   0.15000  1.0 3.0
   51    39   -41    43   0.56750  1.0 1.0
   51    39   -41    43  -0.07550 -1.0 2.0
   51    39   -41    43   0.20000  1.0 3.0
   51    39    41    54   0.56750  1.0 1.0
   51    39    41    54  -0.07550 -1.0 2.0
   51    39    41    54   0.20000  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   29    47    33    37   1.10000 -1.0 2.0
   39    38    37    33   1.10000 -1.0 2.0
   43    46    45    49   1.10000 -1.0 2.0
   54    50    49    45   1.10000 -1.0 2.0
END
