* LIGAND DATABASE FILE (OPLS2005)
*
001      59    59    106    158     312
    1     0 S   NP   _N1_     1    28.62559    95.00478   -20.25594
    2     1 S   H    _HN1     2     1.02774    93.93091  -157.44231
    3     1 S   H    _H1_     3     1.02829    77.30238   -49.46001
    4     1 S   H    _H2_     4     1.02951    39.77709    89.10960
    5     1 S   CT   _CA1     5     1.50652   146.93093    60.14403
    6     5 S   HC   _HA1     6     1.09675   104.47751    83.11720
    7     5 S   CO3  _C1_     7     1.54505   110.71232   -32.56917
    8     7 S   O2Z  _O11     8     1.26003   116.81262  -122.06254
    9     7 S   O2Z  _O12     9     1.26668   113.67525    56.11780
   10     5 S   CT   _CB1    10     1.53147   106.89391  -160.56591
   11    10 S   HC   HB11    11     1.09843   110.29297   -37.75412
   12    10 S   HC   HB12    12     1.09741   110.25057    79.00495
   13    10 S   CT   _CG1    13     1.52962   112.04797  -157.95436
   14    13 S   HC   HG11    14     1.09538   111.14532   -58.85671
   15    13 S   HC   HG12    15     1.09640   109.24872    59.95198
   16    13 S   C    _CD1    16     1.51851   112.01102  -179.06267
   17    16 S   O    _OE1    17     1.22828   123.08958    21.82249
   18    16 S   N    _N2_    18     1.38227   111.98401  -159.81311
   19    18 S   H    _HN2    19     1.02159   119.06019     7.89324
   20    18 S   CT1  _CA2    20     1.45547   123.68058  -178.27933
   21    20 S   HC   _HA2    21     1.09767   108.65532    25.56897
   22    20 S   C    _C2_    22     1.53060   107.73522   -90.92775
   23    22 S   O    _O2_    23     1.22937   123.53815   -22.34362
   24    20 S   CT   _CB2    32     1.53243   111.57407   148.24243
   25    24 S   HC   HB21    33     1.09390   110.93558    52.74832
   26    24 S   HC   HB22    34     1.09532   110.40562   170.76626
   27    22 S   N    _N3_    24     1.38682   112.41068   159.34224
   28    27 S   H    _HN3    25     1.01643   120.26388    -1.43354
   29    24 S   S    _SG2    35     1.82683   111.04304   -71.11547
   30    27 S   CT   _CA3    26     1.45331   122.39434   178.98394
   31    30 S   HC   HA31    27     1.09571   107.63899   -58.56216
   32    30 S   HC   HA32    28     1.09565   107.74790    57.72095
   33    29 S   CT   _C7_    36     1.85314   100.81001   125.34711
   34    33 S   HC   _H3_    37     1.09557   106.62393    32.19025
   35    30 S   CO3  _C3_    29     1.52864   114.44038   179.51665
   36    35 S   O2Z  _O31    30     1.26324   116.13626    -3.54989
   37    35 S   O2Z  _O32    31     1.26458   114.39689   176.52655
   38    33 S   CM   _C4_    38     1.51097   106.46757   147.90001
   39    38 S   CT   _C6_    39     1.50549   120.69443    82.02683
   40    39 S   HC   _H18    40     1.09736   107.71783   138.00755
   41    39 S   HC   _H19    41     1.09591   109.33171  -105.41024
   42    38 S   CMA  _C5_    57     1.51996   120.66716   -98.11007
   43    42 S   OM   _O8_    58     1.26215   120.69319   -62.39139
   44    42 S   OM   _O9_    59     1.26279   120.52121   118.48945
   45    39 S   CT   _C8_    42     1.53001   113.34136    18.43474
   46    45 S   HC   _H21    43     1.09617   109.72813   154.71272
   47    45 S   CT   _C10    44     1.52857   110.86047    32.90318
   48    47 S   HC   _H23    45     1.09784   109.67903    59.81997
   49    45 S   OH   _O13    55     1.42856   110.50594   -88.94972
   50    49 S   HO   _H24    56     0.97167   107.74521   -52.43445
   51    33 S   CT   _C9_    46     1.55245   111.86658   -87.61122
   52    51 S   HC   _H22    47     1.09502   111.43224    14.77938
   53    47 S   OH   _O14    53     1.42975   109.15738   175.74867
   54    53 S   HO   _H25    54     0.97108   107.69138   -59.53391
   55    51 S   OS   _O15    48     1.44010   107.84203   132.67178
   56    55 S   P3   _P17    49     1.64857   120.68890  -122.08268
   57    56 S   O2Z  _O10    50     1.52420   105.37943   -57.86834
   58    56 S   O2Z  _O33    51     1.52540   103.60558  -177.76384
   59    56 S   O2Z  _O34    52     1.52402   104.67243    62.66554
  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   9   5   4   3
  16   7   2   1   1  13  13   6   5   4   1   1  10   6   9   6
   3   1   8   3   2   1   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    47    51    52    55    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    47    48    51    52    55    56    53    42    43    44  
   38    39    47    51    52    55    42  
   36    37  
   37  
    0  
   39    40    41    45    46    47    51    52    55    49    42    43    44  
   40    41    45    46    47    48    51    53    49    50    42    43    44  
   41    45    46    47    49    42  
   45    46    47    49    42  
   43    44    45    51  
   44  
    0  
   46    47    48    51    52    55    53    54    49    50  
   47    48    51    53    49    50  
   48    51    52    55    56    53    54    49    50  
   51    52    55    53    54    49  
   50    51    53  
    0  
   52    55    56    57    58    59    53    54  
   55    56    53  
   54    55  
    0  
   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  -0.335000   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   2.8500   0.1400  -0.760000   1.5900   1.4000   0.020110767  -0.896042159
   56   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   57   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   58   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   59   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    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   340.000  1.090
   33    38   317.000  1.510
   33    51   268.000  1.529
   38    39   317.000  1.510
   38    42   465.000  1.376
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    45   268.000  1.529
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    49   320.000  1.410
   47    48   340.000  1.090
   47    51   268.000  1.529
   47    53   320.000  1.410
   51    52   340.000  1.090
   51    55   320.000  1.410
   55    56   230.000  1.630
   56    57   525.000  1.516
   56    58   525.000  1.516
   56    59   525.000  1.516
   53    54   553.000  0.945
   49    50   553.000  0.945
   42    43   745.000  1.250
   42    44   745.000  1.250
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    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    51    75.00000  111.63000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    51    47    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    55    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    45    70.00000  112.02700
   38    42    43    65.00000  137.10300
   38    42    44    65.00000  137.10300
   39    45    46    37.50000  110.70000
   39    45    47    58.35000  112.70000
   39    45    49    50.00000  109.50000
   41    39    40    33.00000  107.80000
   45    39    40    37.50000  110.70000
   45    39    41    37.50000  110.70000
   45    47    48    37.50000  110.70000
   45    47    51    58.35000  112.70000
   45    47    53    50.00000  109.50000
   45    49    50    55.00000  108.50000
   47    45    46    37.50000  110.70000
   47    51    52    37.50000  110.70000
   47    51    55    50.00000  109.50000
   47    53    54    55.00000  108.50000
   51    33    34    37.50000  110.70000
   51    33    38    70.00000  112.02700
   51    47    48    37.50000  110.70000
   51    55    56    80.00000  112.68000
   55    51    52    35.00000  109.50000
   55    56    57   100.00000  107.00000
   55    56    58   100.00000  107.00000
   55    56    59   100.00000  107.00000
   58    56    57   140.00000  114.00000
   59    56    57   140.00000  114.00000
   59    56    58   140.00000  114.00000
   53    47    48    35.00000  109.50000
   53    47    51    50.00000  109.50000
   49    45    46    35.00000  109.50000
   49    45    47    50.00000  109.50000
   42    38    39    70.00000  124.00000
   44    42    43    65.00000  121.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  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   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    51    47   0.44750  1.0 1.0
   29    33    51    47  -0.17800 -1.0 2.0
   29    33    51    47   0.20200  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    55   0.56750  1.0 1.0
   29    33    51    55  -0.07550 -1.0 2.0
   29    33    51    55   0.20000  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    41   0.34800  1.0 3.0
   33    38    39    45   0.46850  1.0 1.0
   33    38    39    45   0.08550 -1.0 2.0
   33    38    39    45   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    44   7.00000 -1.0 2.0
   33    51    55    56  -2.65550  1.0 1.0
   33    51    55    56  -0.22350 -1.0 2.0
   33    51    55    56   0.24150  1.0 3.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    51    47   0.15000  1.0 3.0
   34    33    51    52   0.15000  1.0 3.0
   34    33    51    55   0.23400  1.0 3.0
   38    33    51    47   0.34400  1.0 1.0
   38    33    51    47   0.09450 -1.0 2.0
   38    33    51    47   0.11100  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    55   0.61850  1.0 1.0
   38    33    51    55  -0.22750 -1.0 2.0
   38    33    51    55   0.15300  1.0 3.0
   38    39    45    46   0.15000  1.0 3.0
   38    39   -45    47   0.34400  1.0 1.0
   38    39   -45    47   0.09450 -1.0 2.0
   38    39   -45    47   0.11100  1.0 3.0
   38    39    45    49   1.05650  1.0 1.0
   38    39    45    49   0.15600 -1.0 2.0
   38    39    45    49   0.53150  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    44   7.00000 -1.0 2.0
   39    45    47    48   0.15000  1.0 3.0
   39    45    47    51   0.56750  1.0 1.0
   39    45    47    51  -0.07550 -1.0 2.0
   39    45    47    51   0.20000  1.0 3.0
   39    45    47    53   0.86500  1.0 1.0
   39    45    47    53  -0.17500 -1.0 2.0
   39    45    47    53   0.20800  1.0 3.0
   39    45    49    50  -0.11600  1.0 1.0
   39    45    49    50  -0.09450 -1.0 2.0
   39    45    49    50   0.21250  1.0 3.0
   40    39    45    46   0.15000  1.0 3.0
   40    39    45    47   0.15000  1.0 3.0
   40    39    45    49   0.23400  1.0 3.0
   41    39    45    46   0.15000  1.0 3.0
   41    39    45    47   0.15000  1.0 3.0
   41    39    45    49   0.23400  1.0 3.0
   45    47   -51    33   0.56750  1.0 1.0
   45    47   -51    33  -0.07550 -1.0 2.0
   45    47   -51    33   0.20000  1.0 3.0
   45    47    51    52   0.15000  1.0 3.0
   45    47    51    55   0.62750  1.0 1.0
   45    47    51    55  -0.30950 -1.0 2.0
   45    47    51    55   0.27300  1.0 3.0
   45    47    53    54  -0.11600  1.0 1.0
   45    47    53    54  -0.09450 -1.0 2.0
   45    47    53    54   0.21250  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    51   0.15000  1.0 3.0
   46    45    47    53   0.23400  1.0 3.0
   46    45    49    50   0.19450  1.0 3.0
   47    45    49    50  -0.11600  1.0 1.0
   47    45    49    50  -0.09450 -1.0 2.0
   47    45    49    50   0.21250  1.0 3.0
   47    51    55    56  -2.65550  1.0 1.0
   47    51    55    56  -0.22350 -1.0 2.0
   47    51    55    56   0.24150  1.0 3.0
   48    47    51    33   0.15000  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    55   0.23400  1.0 3.0
   48    47    53    54   0.19450  1.0 3.0
   51    33   -38    39   0.46850  1.0 1.0
   51    33   -38    39   0.08550 -1.0 2.0
   51    33   -38    39   0.09800  1.0 3.0
   51    33    38    42   0.09850  1.0 1.0
   51    33    38    42   0.15250 -1.0 2.0
   51    33    38    42  -0.50650  1.0 3.0
   51    47    53    54  -0.11600  1.0 1.0
   51    47    53    54  -0.09450 -1.0 2.0
   51    47    53    54   0.21250  1.0 3.0
   51    55    56    57   0.00000  1.0 1.0
   51    55    56    58   0.00000  1.0 1.0
   51    55    56    59   0.00000  1.0 1.0
   52    51    55    56   0.03000  1.0 3.0
   53    47    51    33   0.86500  1.0 1.0
   53    47    51    33  -0.17500 -1.0 2.0
   53    47    51    33   0.20800  1.0 3.0
   53    47    51    52   0.23400  1.0 3.0
   53    47    51    55   3.69350  1.0 1.0
   53    47    51    55  -1.82950 -1.0 2.0
   49    45    47    48   0.23400  1.0 3.0
   49    45    47    51   0.86500  1.0 1.0
   49    45    47    51  -0.17500 -1.0 2.0
   49    45    47    51   0.20800  1.0 3.0
   49    45    47    53   3.75450  1.0 1.0
   42    38    39    40   0.00000  1.0 1.0
   42    38    39    41   0.00000  1.0 1.0
   42    38    39    45   0.09850  1.0 1.0
   42    38    39    45   0.15250 -1.0 2.0
   42    38    39    45  -0.50650  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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   43    44    42    38   1.10000 -1.0 2.0
END
