* LIGAND DATABASE FILE (OPLS2005)
*
001      59    59    102    145     290
    1     0 S   NP   _N1_     1    29.26817    96.74270   -18.42063
    2     1 S   H    _HN1     2     1.02784    67.63069   -74.56418
    3     1 S   H    _H1_     3     1.02960    90.28070    35.13724
    4     1 S   H    _H2_     4     1.02840    51.61587   146.91898
    5     1 S   CT   _CA1     5     1.50087   157.19757  -168.86679
    6     5 S   HC   _HA1     6     1.09588   105.23849    23.40754
    7     5 S   CO3  _C1_     7     1.53742   112.30283   -96.65145
    8     7 S   O2Z  _O11     8     1.26322   115.07357   -48.78534
    9     7 S   O2Z  _O12     9     1.26247   114.84476   130.40702
   10     5 S   CT   _CB1    10     1.53082   107.41979   141.03588
   11    10 S   HC   HB11    11     1.09812   109.14001   -53.22367
   12    10 S   HC   HB12    12     1.09809   110.52093    63.21026
   13    10 S   CT   _CG1    13     1.52979   112.65157  -174.48836
   14    13 S   HC   HG11    14     1.09555   110.25436   -63.37509
   15    13 S   HC   HG12    15     1.09640   110.16063    55.61462
   16    13 S   C    _CD1    16     1.51829   112.24096   175.52311
   17    16 S   O    _OE1    17     1.22723   123.15399   -14.42231
   18    16 S   N    _N2_    18     1.38528   111.71494   166.94974
   19    18 S   H    _HN2    19     1.01607   118.95739    -0.72820
   20    18 S   CT1  _CA2    20     1.46256   123.56335   178.79358
   21    20 S   HC   _HA2    21     1.09729   109.48193   -14.83450
   22    20 S   C    _C2_    22     1.53468   107.74511  -130.31373
   23    22 S   O    _O2_    23     1.22992   122.45201  -143.49076
   24    20 S   CT   _CB2    32     1.53310   111.30113   107.71625
   25    24 S   HC   HB21    33     1.09392   109.27851    51.68174
   26    24 S   HC   HB22    34     1.09477   110.52676   169.87859
   27    22 S   N    _N3_    24     1.38578   113.22438    43.72953
   28    27 S   H    _HN3    25     1.01526   118.90829    -0.47642
   29    24 S   S    _SG2    35     1.83173   111.68722   -71.42593
   30    27 S   CT   _CA3    26     1.45444   123.39314   175.09663
   31    30 S   HC   HA31    27     1.09526   109.17943    25.57321
   32    30 S   HC   HA32    28     1.09493   107.13634   142.57304
   33    29 S   CT   _C8_    36     1.88951   101.08169   142.80599
   34    33 S   Cl   Cl3_    37     1.82465   109.19306   171.15555
   35    30 S   CO3  _C3_    29     1.52934   113.15043   -97.85864
   36    35 S   O2Z  _O31    30     1.26400   115.42102   -44.00242
   37    35 S   O2Z  _O32    31     1.26358   114.97178   136.93650
   38    33 S   CM   _C9_    38     1.57960   111.14634    52.26057
   39    38 S   CM   _C10    39     1.50393   114.01045  -126.69924
   40    39 S   Cl   Cl2_    40     1.76163   119.85409  -166.57631
   41    38 S   CMA  _C12    53     1.38634   120.77135    52.25700
   42    41 S   OM   _O35    54     1.27107   125.92313     8.41228
   43    39 S   CM   _C11    41     1.35426   123.24478     7.65722
   44    43 S   Cl   Cl1_    42     1.75482   121.74908   178.87048
   45    41 S   OS   _O36    55     1.40987   114.58129  -172.39873
   46    43 S   CM   _C6_    43     1.44779   122.58163    -3.48953
   47    45 S   CT   _C13    56     1.42912   112.92971   121.09681
   48    47 S   HC   _H6_    57     1.09400   107.75226  -170.40175
   49    47 S   HC   _H7_    58     1.09475   111.10348    71.56157
   50    47 S   HC   _H8_    59     1.09545   111.10418   -52.15433
   51    33 S   CM   _C7_    44     1.52831   105.88502   -74.72068
   52    51 S   Cl   Cl4_    45     1.75800   116.95165   -57.18147
   53    46 S   CO4  _C5_    46     1.48321   120.70752   179.86878
   54    53 S   O    _O34    47     1.22106   124.03894    82.37111
   55    53 S   OS   _O33    48     1.35976   108.21106   -96.92897
   56    55 S   CT   _C4_    49     1.43020   114.90519  -179.44893
   57    56 S   HC   _H3_    50     1.09323   108.09269   171.51367
   58    56 S   HC   _H4_    51     1.09418   110.73659    52.58835
   59    56 S   HC   _H5_    52     1.09391   109.85263   -69.87710
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  12   6   2   1   1  11   9   4   8   2   7   3   4   6   3   2
   1   1   4   1   6   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    46    51    52    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    46    51    52    53    41    42    45  
   38    39    46    51    52    41  
   36    37  
   37  
    0  
   39    40    43    44    46    51    52    41    42    45    47  
   40    43    44    46    51    53    41    42    45  
   43    44    46    41  
   42    45    47    48    49    50    43    51  
   45    47  
   44    46    51    52    53    54    55  
   46    51    53  
   47    48    49    50  
   51    52    53    54    55    56  
   48    49    50  
   49    50  
   50  
    0  
   52    53    54    55  
   53  
   54    55    56    57    58    59  
   55    56  
   56    57    58    59  
   57    58    59  
   58    59  
   59  
    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   0.207500   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   45   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   56   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.030000   1.3810   1.2100   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    51   317.000  1.510
   38    39   380.000  1.444
   38    41   465.000  1.376
   39    40   300.000  1.725
   39    43   549.000  1.340
   43    44   300.000  1.725
   43    46   380.000  1.444
   46    51   549.000  1.340
   46    53   320.000  1.462
   51    52   300.000  1.725
   53    54   570.000  1.229
   53    55   214.000  1.327
   55    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   41    42   745.000  1.250
   41    45   440.000  1.360
   45    47   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    51    75.00000  112.20000
   33    38    39    70.00000  124.00000
   33    38    41    70.00000  124.00000
   33    51    46    70.00000  124.00000
   33    51    52    75.00000  111.02000
   38    33    34    75.00000  111.90500
   38    39    40    75.00000  121.50000
   38    39    43    70.00000  123.01800
   38    41    42    65.00000  137.10300
   38    41    45    80.00000  120.01400
   39    43    44    75.00000  121.50000
   39    43    46    70.00000  123.01800
   43    39    40    75.00000  121.50000
   43    46    51    70.00000  123.01800
   43    46    53    65.00000  118.96000
   46    43    44    75.00000  121.50000
   46    51    52    75.00000  121.50000
   46    53    54    80.00000  123.72100
   46    53    55    90.00000  111.29400
   51    33    34    75.00000  111.90500
   51    33    38    70.00000  110.12100
   53    46    51    65.00000  118.96000
   53    55    56    83.00000  116.90000
   55    53    54    83.00000  123.40000
   55    56    57    35.00000  109.50000
   55    56    58    35.00000  109.50000
   55    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   41    38    39    70.00000  117.34000
   41    45    47    90.00000  111.18400
   45    41    42    65.00000  121.00000
   45    47    48    35.00000  109.50000
   45    47    49    35.00000  109.50000
   45    47    50    35.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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    51  -0.62250  1.0 1.0
   24    29    33    51  -0.38450 -1.0 2.0
   24    29    33    51   0.81900  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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    51    46   0.42700  1.0 1.0
   29    33    51    46  -0.70350 -1.0 2.0
   29    33    51    46  -0.43150  1.0 3.0
   29    33    51    52   0.09700  1.0 1.0
   29    33    51    52   0.15600 -1.0 2.0
   29    33    51    52  -0.50800  1.0 3.0
   33    38    39    40   1.08500 -1.0 2.0
   33    38    39    43  -0.18600  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    45   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    41   0.09700  1.0 1.0
   34    33    38    41   0.15600 -1.0 2.0
   34    33    38    41  -0.50800  1.0 3.0
   34    33    51    46   0.09700  1.0 1.0
   34    33    51    46   0.15600 -1.0 2.0
   34    33    51    46  -0.50800  1.0 3.0
   34    33    51    52   0.09700  1.0 1.0
   34    33    51    52   0.15600 -1.0 2.0
   34    33    51    52  -0.50800  1.0 3.0
   38    33    51    46  -0.28300  1.0 1.0
   38    33    51    46   0.26700 -1.0 2.0
   38    33    51    46  -0.63300  1.0 3.0
   38    33    51    52   0.09700  1.0 1.0
   38    33    51    52   0.15600 -1.0 2.0
   38    33    51    52  -0.50800  1.0 3.0
   38    39    43    44   7.00000 -1.0 2.0
   38    39   -43    46   7.00000 -1.0 2.0
   38    41    45    47  -2.26850  1.0 1.0
   38    41    45    47   3.39050 -1.0 2.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    45   7.00000 -1.0 2.0
   39    43    46    51   0.28850  1.0 1.0
   39    43    46    51   2.61350 -1.0 2.0
   39    43    46    51   0.78400  1.0 3.0
   39    43    46    53  -0.18600  1.0 3.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    46   7.00000 -1.0 2.0
   43    46   -51    33   7.00000 -1.0 2.0
   43    46    51    52   7.00000 -1.0 2.0
   43    46    53    54   1.00000 -1.0 2.0
   43    46    53    55  -0.56150  1.0 1.0
   43    46    53    55   2.19150 -1.0 2.0
   44    43    46    51  -0.18600  1.0 3.0
   44    43    46    53   1.08500 -1.0 2.0
   46    53    55    56   2.00000 -1.0 2.0
   51    33   -38    39  -0.28300  1.0 1.0
   51    33   -38    39   0.26700 -1.0 2.0
   51    33   -38    39  -0.63300  1.0 3.0
   51    33    38    41  -0.28300  1.0 1.0
   51    33    38    41   0.26700 -1.0 2.0
   51    33    38    41  -0.63300  1.0 3.0
   51    46    53    54   1.00000 -1.0 2.0
   51    46    53    55  -0.56150  1.0 1.0
   51    46    53    55   2.19150 -1.0 2.0
   53    46    51    33   7.00000 -1.0 2.0
   53    46    51    52   7.00000 -1.0 2.0
   53    55    56    57   0.08050  1.0 3.0
   53    55    56    58   0.08050  1.0 3.0
   53    55    56    59   0.08050  1.0 3.0
   54    53    55    56   3.00000 -1.0 2.0
   41    38    39    40  -0.18600  1.0 3.0
   41    38    39    43   0.28850  1.0 1.0
   41    38    39    43   2.61350 -1.0 2.0
   41    38    39    43   0.78400  1.0 3.0
   41    45    47    48   0.08050  1.0 3.0
   41    45    47    49   0.08050  1.0 3.0
   41    45    47    50   0.08050  1.0 3.0
   42    41    45    47   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
   33    39    38    41   1.10000 -1.0 2.0
   38    40    39    43   1.10000 -1.0 2.0
   46    44    43    39   1.10000 -1.0 2.0
   43    53    46    51   1.10000 -1.0 2.0
   33    52    51    46   1.10000 -1.0 2.0
   46    55    53    54  10.50000 -1.0 2.0
   42    45    41    38   1.10000 -1.0 2.0
END
