* LIGAND DATABASE FILE (OPLS2005)
*
001      58    58    101    136     282
    1     0 S   NP   _N1_     1    28.82172    94.30074   -24.10984
    2     1 S   H    _HN1     2     1.02949    83.07933    15.14760
    3     1 S   H    _H1_     3     1.02827    24.74028  -178.86927
    4     1 S   H    _H2_     4     1.02786   111.16872   -91.91449
    5     1 S   CT   _CA1     5     1.50115   126.74168   125.48791
    6     5 S   HC   _HA1     6     1.09573   105.18782    80.90485
    7     5 S   CO3  _C1_     7     1.53786   112.47676   -39.32363
    8     7 S   O2Z  _O11     8     1.26372   115.00509   -42.19798
    9     7 S   O2Z  _O12     9     1.26240   114.94600   136.91792
   10     5 S   CT   _CB1    10     1.53075   107.41775  -161.11025
   11    10 S   HC   HB11    11     1.09834   109.36294   -49.63266
   12    10 S   HC   HB12    12     1.09812   110.45202    66.97611
   13    10 S   CT   _CG1    13     1.52989   112.61016  -170.60355
   14    13 S   HC   HG11    14     1.09583   110.64481   -65.96383
   15    13 S   HC   HG12    15     1.09671   109.77398    53.26946
   16    13 S   C    _CD1    16     1.51799   112.20760   173.72568
   17    16 S   O    _OE1    17     1.22732   123.27621     7.51935
   18    16 S   N    _N2_    18     1.38628   111.65891  -172.50721
   19    18 S   H    _HN2    19     1.01573   118.95290     1.69223
   20    18 S   CT1  _CA2    20     1.46250   123.47485   177.76104
   21    20 S   HC   _HA2    21     1.09736   109.36073     4.81849
   22    20 S   C    _C2_    22     1.53606   108.71063  -110.71043
   23    22 S   O    _O2_    23     1.23061   122.34954  -148.28217
   24    20 S   CT   _CB2    32     1.53334   111.41305   126.84310
   25    24 S   HC   HB21    33     1.09491   109.61999    56.16521
   26    24 S   HC   HB22    34     1.09456   109.86929   175.05161
   27    22 S   N    _N3_    24     1.38344   113.74867    39.20956
   28    27 S   H    _HN3    25     1.01564   119.58906    -3.27076
   29    24 S   S    _SG2    35     1.83146   111.12346   -65.14715
   30    27 S   CT   _CA3    26     1.45277   123.21583   177.15882
   31    30 S   HC   HA31    27     1.09550   107.50330   -64.79893
   32    30 S   HC   HA32    28     1.09557   107.99717    51.64335
   33    29 S   CT   _C7_    36     1.84575   100.94343   172.40477
   34    33 S   Cl   Cl3_    37     1.80702   107.97905   173.71515
   35    30 S   CO3  _C3_    29     1.52957   114.07961   173.64473
   36    35 S   O2Z  _O31    30     1.26377   116.08266    -0.75173
   37    35 S   O2Z  _O32    31     1.26430   114.41030   179.31016
   38    33 S   CM   _C8_    38     1.52088   111.87512   -66.52695
   39    38 S   Cl   Cl2_    39     1.73672   118.39837   -57.40888
   40    38 S   CM   _C9_    40     1.34256   122.73268   123.07446
   41    40 S   HC   _H9_    41     1.08455   121.95045   179.79826
   42    40 S   CM   _C10    42     1.44083   118.82153    -0.15949
   43    42 S   Cl   Cl1_    43     1.72356   118.07824  -178.79066
   44    42 S   CMA  _C6_    44     1.34747   118.55696     1.05888
   45    33 S   NM   _N4_    45     1.47553   108.62878    61.70387
   46    44 S   OS   _O35    46     1.39450   117.50706  -179.43768
   47    46 S   P1   _P1_    47     1.62273   129.18974   176.61100
   48    47 S   ST   _S1_    48     1.94964   117.33281    67.46603
   49    47 S   OS   _O33    49     1.62866   101.03644  -165.85577
   50    47 S   OS   _O34    54     1.62661   102.06254   -62.11858
   51    49 S   CT   _C4_    50     1.41711   119.49681   -63.81575
   52    51 S   HC   _H3_    51     1.09287   108.55953   170.62957
   53    51 S   HC   _H4_    52     1.09296   110.58393    51.31373
   54    51 S   HC   _H5_    53     1.09264   110.03964   -70.39307
   55    50 S   CT   _C5_    55     1.41579   119.68949  -171.18196
   56    55 S   HC   _H6_    56     1.09288   108.58507   167.84876
   57    55 S   HC   _H7_    57     1.09301   110.63294    48.42349
   58    55 S   HC   _H8_    58     1.09270   109.91185   -73.22627
  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
   9   5   2   1   1   7   4   6   3   5   3   6   2   6  11   4
   6   5   3   2   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    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    40    44    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    46  
   38    39    40    44    45  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45  
   40    41    42    45  
   41    42    43    44    45    46  
   42    43    44  
   43    44    45    46    47  
   44    45    46  
   45    46    47    48    49    50  
   46    47  
   47    48    49    51    50    55  
   48    49    51    52    53    54    50    55    56    57    58  
   49    51    50    55  
   51    52    53    54    50    55  
   55    56    57    58    51  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58  
   57    58  
   58  
    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   0.330000   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   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.499200   2.0020   1.7750   0.023028004  -0.852763146
   43   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   44   3.5500   0.0760   0.826700   2.0020   1.7750   0.023028004  -0.852763146
   45   3.4200   0.1700  -1.245000   1.9310   1.7100   0.005000000   0.000000000
   46   2.8500   0.1400  -0.273200   1.5900   1.4000   0.020110767  -0.896042159
   47   3.7400   0.2000   1.154100   2.1070   1.8700   0.005000000   0.000000000
   48   4.2500   0.5000  -0.589500   2.3875   2.1250   0.025682759  -1.666211680
   49   2.8500   0.1400  -0.461100   1.5900   1.4000   0.020110767  -0.896042159
   50   2.8500   0.1400  -0.461100   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5000   0.0660   0.092900   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.092900   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   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   317.000  1.510
   33    45   320.000  1.444
   38    39   300.000  1.725
   38    40   549.000  1.340
   40    41   340.000  1.080
   40    42   380.000  1.444
   42    43   300.000  1.725
   42    44   465.000  1.376
   44    45   500.000  1.344
   44    46   440.000  1.360
   46    47   405.000  1.623
   47    48   270.000  1.959
   47    49   405.000  1.623
   47    50   405.000  1.623
   49    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   50    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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    85.00000  110.65400
   29    33    38    75.00000  112.20000
   29    33    45    85.00000  109.00000
   33    38    39    75.00000  111.02000
   33    38    40    70.00000  124.00000
   33    45    44    70.00000  118.22000
   38    33    34    75.00000  111.90500
   38    40    41    35.00000  120.00000
   38    40    42    70.00000  123.01800
   40    38    39    75.00000  121.50000
   40    42    43    75.00000  121.50000
   40    42    44    70.00000  117.34000
   42    40    41    35.00000  120.00000
   42    44    45    65.00000  126.19400
   42    44    46    80.00000  120.01400
   44    42    43    60.00000  123.80000
   44    46    47    80.00000  120.00000
   45    33    34    85.00000  105.00000
   45    33    38    75.00000  116.00000
   46    44    45    65.00000  121.00000
   46    47    48    80.00000  117.31900
   46    47    49   120.00000  102.38000
   46    47    50   120.00000  102.38000
   47    49    51    75.00000  119.24600
   47    50    55    75.00000  119.24600
   49    47    48    80.00000  117.31900
   49    51    52    35.00000  109.50000
   49    51    53    35.00000  109.50000
   49    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   50    47    48    80.00000  117.31900
   50    47    49   120.00000  102.38000
   50    55    56    35.00000  109.50000
   50    55    57    35.00000  109.50000
   50    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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   0.01700  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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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   0.09700  1.0 1.0
   29    33    38    39   0.15600 -1.0 2.0
   29    33    38    39  -0.50800  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    45    44   0.00000  1.0 1.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   34    33    38    39   0.09700  1.0 1.0
   34    33    38    39   0.15600 -1.0 2.0
   34    33    38    39  -0.50800  1.0 3.0
   34    33    38    40   0.09700  1.0 1.0
   34    33    38    40   0.15600 -1.0 2.0
   34    33    38    40  -0.50800  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    40    42    43  -0.18600  1.0 3.0
   38    40   -42    44   0.28850  1.0 1.0
   38    40   -42    44   2.61350 -1.0 2.0
   38    40   -42    44   0.78400  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    44    45   7.00000 -1.0 2.0
   40    42    44    46   7.00000 -1.0 2.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44  -0.18600  1.0 3.0
   42    44   -45    33   0.00000  1.0 1.0
   42    44    46    47   2.00000 -1.0 2.0
   43    42    44    45   7.00000 -1.0 2.0
   43    42    44    46   7.00000 -1.0 2.0
   44    46    47    48   0.15000  1.0 3.0
   44    46    47    49   0.88300  1.0 1.0
   44    46    47    49   0.16450 -1.0 2.0
   44    46    47    49   0.32850  1.0 3.0
   44    46    47    50   0.88300  1.0 1.0
   44    46    47    50   0.16450 -1.0 2.0
   44    46    47    50   0.32850  1.0 3.0
   45    33    38    39   0.09700  1.0 1.0
   45    33    38    39   0.15600 -1.0 2.0
   45    33    38    39  -0.50800  1.0 3.0
   45    33   -38    40   0.09700  1.0 1.0
   45    33   -38    40   0.15600 -1.0 2.0
   45    33   -38    40  -0.50800  1.0 3.0
   45    44    46    47   2.00000 -1.0 2.0
   46    44    45    33   0.00000  1.0 1.0
   46    47    49    51   0.91800  1.0 1.0
   46    47    49    51   0.22900 -1.0 2.0
   46    47    49    51   0.32050  1.0 3.0
   46    47    50    55   0.91800  1.0 1.0
   46    47    50    55   0.22900 -1.0 2.0
   46    47    50    55   0.32050  1.0 3.0
   47    49    51    52   0.03000  1.0 3.0
   47    49    51    53   0.03000  1.0 3.0
   47    49    51    54   0.03000  1.0 3.0
   47    50    55    56   0.03000  1.0 3.0
   47    50    55    57   0.03000  1.0 3.0
   47    50    55    58   0.03000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    50    55   0.15000  1.0 3.0
   49    47    50    55   0.91800  1.0 1.0
   49    47    50    55   0.22900 -1.0 2.0
   49    47    50    55   0.32050  1.0 3.0
   50    47    49    51   0.91800  1.0 1.0
   50    47    49    51   0.22900 -1.0 2.0
   50    47    49    51   0.32050  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    43    42    44   1.10000 -1.0 2.0
   45    46    44    42   1.10000 -1.0 2.0
END
