* LIGAND DATABASE FILE (OPLS2005)
*
001      57    57     99    154     295
    1     0 S   NP   _N1_     1    28.77942    96.39873   -23.32637
    2     1 S   H    _HN1     2     1.02828    38.91470   167.22039
    3     1 S   H    _H1_     3     1.02787   105.89559   -93.81373
    4     1 S   H    _H2_     4     1.02949    71.11551    10.59797
    5     1 S   CT   _CA1     5     1.50118   138.41388   110.35333
    6     5 S   HC   _HA1     6     1.09573   105.18816    93.47852
    7     5 S   CO3  _C1_     7     1.53786   112.46811   -26.75230
    8     7 S   O2Z  _O11     8     1.26374   115.00523   -42.33713
    9     7 S   O2Z  _O12     9     1.26240   114.94765   136.77329
   10     5 S   CT   _CB1    10     1.53075   107.41483  -148.53590
   11    10 S   HC   HB11    11     1.09834   109.36751   -49.59297
   12    10 S   HC   HB12    12     1.09813   110.45090    67.01520
   13    10 S   CT   _CG1    13     1.52994   112.61073  -170.56049
   14    13 S   HC   HG11    14     1.09579   110.64733   -65.95478
   15    13 S   HC   HG12    15     1.09671   109.77023    53.28130
   16    13 S   C    _CD1    16     1.51801   112.19142   173.73881
   17    16 S   O    _OE1    17     1.22734   123.27221     7.83782
   18    16 S   N    _N2_    18     1.38656   111.69962  -172.23044
   19    18 S   H    _HN2    19     1.01575   118.93118     1.67655
   20    18 S   CT1  _CA2    20     1.46207   123.39217   177.39045
   21    20 S   HC   _HA2    21     1.09736   109.36278     4.21473
   22    20 S   C    _C2_    22     1.53581   108.59417  -111.29664
   23    22 S   O    _O2_    23     1.23064   122.28542  -147.31643
   24    20 S   CT   _CB2    32     1.53352   111.61791   126.25493
   25    24 S   HC   HB21    33     1.09580   110.07087    56.52091
   26    24 S   HC   HB22    34     1.09431   109.88940   175.59042
   27    22 S   N    _N3_    24     1.38325   113.72979    40.07832
   28    27 S   H    _HN3    25     1.01575   119.60339    -3.16545
   29    24 S   S    _SG2    35     1.82673   111.52991   -64.53581
   30    27 S   CT   _CA3    26     1.45287   123.22944   177.20698
   31    30 S   HC   HA31    27     1.09549   107.49965   -64.92667
   32    30 S   HC   HA32    28     1.09556   108.00280    51.51840
   33    29 S   CT   _C7_    36     1.84605    99.82613   170.14092
   34    33 S   HC   _H4_    37     1.09819   106.41370   -51.27222
   35    30 S   CO3  _C3_    29     1.52966   114.06895   173.52449
   36    35 S   O2Z  _O31    30     1.26378   116.06838    -0.70025
   37    35 S   O2Z  _O32    31     1.26427   114.41519   179.36388
   38    33 S   CT   _C6_    38     1.54062   112.33753    68.94814
   39    38 S   HC   _H3_    39     1.09595   109.54859   -63.34113
   40    38 S   CM   _C5_    40     1.51237   111.10132   175.40194
   41    38 S   OH   _O35    56     1.43102   110.04639    54.88559
   42    41 S   HO   _H8_    57     0.97495   108.93289   150.10632
   43    40 S   CM   _C4_    41     1.34225   123.03823   -25.06778
   44    43 S   HC   _H6_    42     1.08501   122.50372   178.90604
   45    40 S   CM   _C10    49     1.45253   115.82362   153.03058
   46    45 S   HC   _H9_    50     1.08843   114.97299   -64.70035
   47    43 S   CO4  _C9_    43     1.48387   120.60354    -1.31686
   48    47 S   O    _O33    44     1.23087   119.15488   179.70658
   49    45 S   CM   _C11    51     1.34030   126.87046   114.80443
   50    49 S   HC   _H10    52     1.08944   118.03706   177.56562
   51    33 S   CT   _C8_    45     1.53421   109.57382  -168.32676
   52    51 S   HC   _H5_    46     1.09659   112.09392   -58.64190
   53    49 S   CO3  _C12    53     1.53226   124.35774    -2.78045
   54    53 S   O2Z  _O37    54     1.26365   116.01932   -43.79310
   55    53 S   O2Z  _O36    55     1.26439   114.25129   138.08360
   56    51 S   OH   _O34    47     1.42380   110.18204    62.59511
   57    56 S   HO   _H7_    48     0.97324   107.27198  -179.09259
  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  10   5   4   3
  14   8   2   1   1  13   6  12   4   1   9   4   7   3   5   3
   4   3   3   2   2   1   1   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    40    47    51    52    56    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    47    48    51    52    56    57    45    41    42  
   38    39    40    47    51    52    56    41  
   36    37  
   37  
    0  
   39    40    43    44    47    51    52    56    45    46    49    41    42  
   40    43    51    45    41    42  
   43    44    47    48    51    45    46    49    50    53    41    42  
   42    43    45    51  
    0  
   44    47    48    51    52    56    45    46    49  
   47    48    51    45  
   46    49    50    53    54    55    47  
   49    50    53  
   48    51    52    56    57  
   51    52    56  
   50    53    54    55  
   53    54    55  
   52    56    57  
   56    57  
   54    55  
   55  
    0  
   57  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5500   0.0760  -0.425300   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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    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   268.000  1.529
   33    51   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.510
   38    41   320.000  1.410
   40    43   549.000  1.340
   40    45   380.000  1.444
   43    44   340.000  1.080
   43    47   320.000  1.462
   47    48   570.000  1.229
   47    51   317.000  1.522
   51    52   340.000  1.090
   51    56   320.000  1.410
   56    57   553.000  0.945
   45    46   340.000  1.080
   45    49   549.000  1.340
   49    50   340.000  1.080
   49    53   230.000  1.545
   53    54   656.000  1.250
   53    55   656.000  1.250
   41    42   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  111.63000
   29    33    51    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.02700
   33    38    41    50.00000  109.50000
   33    51    47    63.00000  111.10000
   33    51    52    37.50000  110.70000
   33    51    56    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    43    70.00000  124.00000
   38    40    45    70.00000  124.00000
   38    41    42    55.00000  108.50000
   40    38    39    35.00000  109.50000
   40    43    44    35.00000  120.00000
   40    43    47    65.00000  118.96000
   40    45    46    35.00000  120.00000
   40    45    49    70.00000  123.01800
   43    47    48    80.00000  123.72100
   43    47    51    65.00000  118.62400
   47    43    44    40.00000  117.72500
   47    51    52    35.00000  109.50000
   47    51    56    90.00000  109.61100
   51    33    34    37.50000  110.70000
   51    33    38    58.35000  112.70000
   51    47    48    80.00000  120.40000
   51    56    57    55.00000  108.50000
   56    51    52    35.00000  109.50000
   45    40    43    70.00000  123.01800
   45    49    50    35.00000  120.00000
   45    49    53    55.00000  124.75400
   49    45    46    35.00000  120.00000
   49    53    54    85.00000  113.83300
   49    53    55    85.00000  113.83300
   53    49    50    40.00000  118.53000
   55    53    54    80.00000  126.00000
   41    38    39    35.00000  109.50000
   41    38    40    90.00000  110.39200
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  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   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    51    47   0.56750  1.0 1.0
   29    33    51    47  -0.07550 -1.0 2.0
   29    33    51    47   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    56   0.56750  1.0 1.0
   29    33    51    56  -0.07550 -1.0 2.0
   29    33    51    56   0.20000  1.0 3.0
   33    38    40    43   0.09850  1.0 1.0
   33    38    40    43   0.15250 -1.0 2.0
   33    38    40    43  -0.50650  1.0 3.0
   33    38    40    45   0.98200  1.0 1.0
   33    38    40    45  -0.11900 -1.0 2.0
   33    38    40    45   0.24250  1.0 3.0
   33    38    41    42  -0.11600  1.0 1.0
   33    38    41    42  -0.09450 -1.0 2.0
   33    38    41    42   0.21250  1.0 3.0
   33    51    56    57  -0.11600  1.0 1.0
   33    51    56    57  -0.09450 -1.0 2.0
   33    51    56    57   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    51    47  -0.11250  1.0 3.0
   34    33    51    52   0.15000  1.0 3.0
   34    33    51    56   0.23400  1.0 3.0
   38    33    51    47  -0.95700  1.0 1.0
   38    33    51    47  -0.18200 -1.0 2.0
   38    33    51    47   0.29450  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    56   0.86500  1.0 1.0
   38    33    51    56  -0.17500 -1.0 2.0
   38    33    51    56   0.20800  1.0 3.0
   38    40    43    44   7.00000 -1.0 2.0
   38    40   -43    47   7.00000 -1.0 2.0
   38    40    45    46   0.00000  1.0 1.0
   38    40    45    49  -0.18600  1.0 3.0
   39    38    40    43   0.00000  1.0 1.0
   39    38    40    45   0.00000  1.0 1.0
   39    38    41    42   0.19450  1.0 3.0
   40    38    41    42  -0.07800  1.0 1.0
   40    38    41    42  -0.21500 -1.0 2.0
   40    38    41    42  -0.03150  1.0 3.0
   40    43    47    48   1.00000 -1.0 2.0
   40    43    47    51  -0.33500  1.0 1.0
   40    43    47    51   1.06600 -1.0 2.0
   40    43    47    51  -0.14000  1.0 3.0
   40    45    49    50   7.00000 -1.0 2.0
   40    45    49    53   7.00000 -1.0 2.0
   43    40    45    46  -0.18600  1.0 3.0
   43    40    45    49   0.28850  1.0 1.0
   43    40    45    49   2.61350 -1.0 2.0
   43    40    45    49   0.78400  1.0 3.0
   43    47   -51    33   0.65300  1.0 1.0
   43    47   -51    33  -0.03850 -1.0 2.0
   43    47   -51    33   0.33900  1.0 3.0
   43    47    51    52   0.00000  1.0 1.0
   43    47    51    56   0.65300  1.0 1.0
   43    47    51    56  -0.03850 -1.0 2.0
   43    47    51    56   0.33900  1.0 3.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    51   0.04550  1.0 1.0
   44    43    47    51   0.83000 -1.0 2.0
   44    43    47    51  -0.04000  1.0 3.0
   47    51    56    57   0.91850  1.0 1.0
   47    51    56    57   0.57950  1.0 3.0
   48    47    51    33   0.30150 -1.0 2.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    56   0.30150 -1.0 2.0
   51    33    38    39   0.15000  1.0 3.0
   51    33   -38    40   0.34400  1.0 1.0
   51    33   -38    40   0.09450 -1.0 2.0
   51    33   -38    40   0.11100  1.0 3.0
   51    33    38    41   0.86500  1.0 1.0
   51    33    38    41  -0.17500 -1.0 2.0
   51    33    38    41   0.20800  1.0 3.0
   52    51    56    57   0.19450  1.0 3.0
   45    40    43    44   7.00000 -1.0 2.0
   45    40    43    47   7.00000 -1.0 2.0
   45    49    53    54  -0.04000 -1.0 2.0
   45    49    53    54  -0.29050  1.0 3.0
   45    49    53    55  -0.04000 -1.0 2.0
   45    49    53    55  -0.29050  1.0 3.0
   46    45    49    50   7.00000 -1.0 2.0
   46    45    49    53   7.00000 -1.0 2.0
   50    49    53    54   0.00000  1.0 1.0
   50    49    53    55   0.00000  1.0 1.0
   41    38    40    43   0.67800  1.0 1.0
   41    38    40    43   0.47050 -1.0 2.0
   41    38    40    43  -0.62500  1.0 3.0
   41    38    40    45  -0.17300  1.0 1.0
   41    38    40    45   0.35150 -1.0 2.0
   41    38    40    45   0.31550  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
   38    45    40    43   1.10000 -1.0 2.0
   47    44    43    40   1.10000 -1.0 2.0
   43    51    47    48  10.50000 -1.0 2.0
   40    46    45    49  15.00000 -1.0 2.0
   53    50    49    45  15.00000 -1.0 2.0
   54    49    53    55  10.50000 -1.0 2.0
END
