* LIGAND DATABASE FILE (OPLS2005)
*
001      53    53     95    147     283
    1     0 S   NP   _N1_     1    28.03205    95.16128   -23.84273
    2     1 S   H    _HN1     2     1.02836    22.38636   144.86331
    3     1 S   H    _H1_     3     1.02777   105.96223  -116.84629
    4     1 S   H    _H2_     4     1.02957    87.10041    -8.60547
    5     1 S   CT   _CA1     5     1.50147   129.06882   105.49656
    6     5 S   HC   _HA1     6     1.09575   105.19827    74.22288
    7     5 S   CO3  _C1_     7     1.53769   112.27179   -45.94626
    8     7 S   O2Z  _O11     8     1.26369   114.99009   -45.28551
    9     7 S   O2Z  _O12     9     1.26222   114.92001   133.63384
   10     5 S   CT   _CB1    10     1.53075   107.40040  -167.89960
   11    10 S   HC   HB11    11     1.09833   109.31014   -50.21196
   12    10 S   HC   HB12    12     1.09814   110.44827    66.32441
   13    10 S   CT   _CG1    13     1.53046   112.70810  -171.24258
   14    13 S   HC   HG11    14     1.09589   110.55945   -65.10862
   15    13 S   HC   HG12    15     1.09657   109.87754    54.12810
   16    13 S   C    _CD1    16     1.51854   112.15947   174.49163
   17    16 S   O    _OE1    17     1.22777   123.22648     3.60989
   18    16 S   N    _N2_    18     1.38552   111.85703  -176.45503
   19    18 S   H    _HN2    19     1.01578   119.18618     3.66543
   20    18 S   CT1  _CA2    20     1.45846   122.73541   177.64457
   21    20 S   HC   _HA2    21     1.09733   108.80784    26.46858
   22    20 S   C    _C2_    22     1.52955   106.98729   -90.54886
   23    22 S   O    _O2_    23     1.22990   123.06251   -27.27616
   24    20 S   CT   _CB2    32     1.53121   112.39447   149.59572
   25    24 S   HC   HB21    33     1.09610   110.29339    54.97544
   26    24 S   HC   HB22    34     1.09458   110.08315   173.85688
   27    22 S   N    _N3_    24     1.38515   112.61398   155.27889
   28    27 S   H    _HN3    25     1.01663   120.35917    -1.71395
   29    24 S   S    _SG2    35     1.82540   111.26590   -65.50253
   30    27 S   CT   _CA3    26     1.45350   122.39714   178.67470
   31    30 S   HC   HA31    27     1.09570   107.65671   -58.47632
   32    30 S   HC   HA32    28     1.09566   107.73425    57.81743
   33    29 S   CT   _C9_    36     1.85058    99.23263  -177.41207
   34    33 S   HC   _H3_    37     1.09587   106.94318   -18.65102
   35    30 S   CO3  _C3_    29     1.52870   114.41498   179.63416
   36    35 S   O2Z  _O31    30     1.26321   116.09660    -2.52422
   37    35 S   O2Z  _O32    31     1.26449   114.39385   177.52030
   38    33 S   CT   _C7_    38     1.54166   108.31173  -138.45456
   39    38 S   HC   _H16    39     1.09984   109.75382   -45.56775
   40    38 S   CM   _C4_    40     1.51121   113.09002  -163.86213
   41    40 S   HC   _H15    41     1.08876   116.69349  -167.10084
   42    38 S   CO3  _C6_    51     1.54631   113.59400    75.33231
   43    42 S   O2Z  _O8_    52     1.26656   114.43688  -148.30485
   44    42 S   O2Z  _O10    53     1.26287   116.61172    31.86436
   45    40 S   CM   _C5_    42     1.34429   123.95036    13.16132
   46    45 S   Cl   CL13    43     1.74532   117.82069  -178.67234
   47    45 S   CT   _C10    44     1.51660   123.54303     1.84801
   48    47 S   OM   _O9_    45     1.32070   108.99589  -109.15409
   49    47 S   Cl   CL14    46     1.80081   111.08556   133.21737
   50    33 S   CT   _C8_    47     1.54632   110.63819   100.11376
   51    50 S   HC   _H17    48     1.09986   107.94027    58.55432
   52    50 S   OH   _O33    49     1.43422   110.43914   -57.37389
   53    52 S   HO   _H19    50     0.97438   106.00880   -83.47413
  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
  16   8   2   1   1  12   7  10   4   4   1   1   7   4   6   4
   3   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    50    51    52    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    47    48    49    50    51    52    53    42    43    44  
   38    39    40    47    50    51    52    42  
   36    37  
   37  
    0  
   39    40    41    45    46    47    50    51    52    42    43    44  
   40    41    45    50    42    43    44  
   41    45    46    47    48    49    50    42    43    44  
   45    46    47    42  
   43    44    45    50  
   44  
    0  
   46    47    48    49    50    51    52  
   47    48    49    50  
   48    49    50    51    52    53  
   49    50    51    52  
   50    51    52  
   51    52    53  
   52    53  
   53  
    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  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   47   4.2000   0.3000   0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   49   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   50   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   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    50   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.510
   38    42   317.000  1.522
   40    41   340.000  1.080
   40    45   549.000  1.340
   45    46   300.000  1.725
   45    47   317.000  1.510
   47    48   570.000  1.307
   47    49   245.000  1.781
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   320.000  1.410
   52    53   553.000  0.945
   42    43   656.000  1.250
   42    44   656.000  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  111.63000
   29    33    50    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.02700
   33    38    42    70.00000  109.69300
   33    50    47    58.35000  112.70000
   33    50    51    37.50000  110.70000
   33    50    52    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    35.00000  117.00000
   38    40    45    70.00000  124.00000
   38    42    43    70.00000  117.00000
   38    42    44    70.00000  117.00000
   40    38    39    35.00000  109.50000
   40    45    46    75.00000  121.50000
   40    45    47    70.00000  124.00000
   45    40    41    35.00000  120.00000
   45    47    48    85.00000  110.90400
   45    47    49    75.00000  111.90500
   45    47    50    70.00000  112.02700
   47    45    46    75.00000  111.02000
   47    50    51    37.50000  110.70000
   47    50    52    50.00000  109.50000
   49    47    48    95.00000  108.90000
   50    33    34    37.50000  110.70000
   50    33    38    58.35000  112.70000
   50    47    48    50.00000  109.50000
   50    47    49    69.00000  109.80000
   50    52    53    55.00000  108.50000
   52    50    51    35.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    65.00000  111.94000
   44    42    43    80.00000  126.00000
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   0.01700  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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    50    47   0.44750  1.0 1.0
   29    33    50    47  -0.17800 -1.0 2.0
   29    33    50    47   0.20200  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    52   0.56750  1.0 1.0
   29    33    50    52  -0.07550 -1.0 2.0
   29    33    50    52   0.20000  1.0 3.0
   33    38    40    41   0.00000  1.0 1.0
   33    38    40    45   0.09850  1.0 1.0
   33    38    40    45   0.15250 -1.0 2.0
   33    38    40    45  -0.50650  1.0 3.0
   33    38    42    43   0.41150 -1.0 2.0
   33    38    42    44   0.41150 -1.0 2.0
   33    50    52    53  -0.11600  1.0 1.0
   33    50    52    53  -0.09450 -1.0 2.0
   33    50    52    53   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    42  -0.11250  1.0 3.0
   34    33    50    47   0.15000  1.0 3.0
   34    33    50    51   0.15000  1.0 3.0
   34    33    50    52   0.23400  1.0 3.0
   38    33    50    47   0.56750  1.0 1.0
   38    33    50    47  -0.07550 -1.0 2.0
   38    33    50    47   0.20000  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    52   0.86500  1.0 1.0
   38    33    50    52  -0.17500 -1.0 2.0
   38    33    50    52   0.20800  1.0 3.0
   38    40    45    46   7.00000 -1.0 2.0
   38    40   -45    47   7.00000 -1.0 2.0
   39    38    40    41   0.33100  1.0 3.0
   39    38    40    45   0.00000  1.0 1.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    44   0.00000  1.0 1.0
   40    38    42    43   0.30150 -1.0 2.0
   40    38    42    44   0.30150 -1.0 2.0
   40    45    47    48   0.39000  1.0 1.0
   40    45    47    48  -0.05800 -1.0 2.0
   40    45    47    48  -0.55150  1.0 3.0
   40    45    47    49   0.09700  1.0 1.0
   40    45    47    49   0.15600 -1.0 2.0
   40    45    47    49  -0.50800  1.0 3.0
   40    45    47    50   0.09850  1.0 1.0
   40    45    47    50   0.15250 -1.0 2.0
   40    45    47    50  -0.50650  1.0 3.0
   41    40    45    46   7.00000 -1.0 2.0
   41    40    45    47   7.00000 -1.0 2.0
   45    47   -50    33   0.34400  1.0 1.0
   45    47   -50    33   0.09450 -1.0 2.0
   45    47   -50    33   0.11100  1.0 3.0
   45    47    50    51   0.15000  1.0 3.0
   45    47    50    52   1.05650  1.0 1.0
   45    47    50    52   0.15600 -1.0 2.0
   45    47    50    52   0.53150  1.0 3.0
   46    45    47    48   0.09700  1.0 1.0
   46    45    47    48   0.15600 -1.0 2.0
   46    45    47    48  -0.50800  1.0 3.0
   46    45    47    49   0.09700  1.0 1.0
   46    45    47    49   0.15600 -1.0 2.0
   46    45    47    49  -0.50800  1.0 3.0
   46    45    47    50   0.09700  1.0 1.0
   46    45    47    50   0.15600 -1.0 2.0
   46    45    47    50  -0.50800  1.0 3.0
   47    50    52    53  -0.11600  1.0 1.0
   47    50    52    53  -0.09450 -1.0 2.0
   47    50    52    53   0.21250  1.0 3.0
   48    47    50    33   0.62750  1.0 1.0
   48    47    50    33  -0.30950 -1.0 2.0
   48    47    50    33   0.27300  1.0 3.0
   48    47    50    51   0.23400  1.0 3.0
   48    47    50    52   3.69350  1.0 1.0
   48    47    50    52  -1.82950 -1.0 2.0
   49    47    50    33   0.35600  1.0 1.0
   49    47    50    33  -0.14650 -1.0 2.0
   49    47    50    33   0.33350  1.0 3.0
   49    47    50    51   0.27000  1.0 3.0
   49    47    50    52   0.56750  1.0 1.0
   49    47    50    52  -0.07550 -1.0 2.0
   49    47    50    52   0.20000  1.0 3.0
   50    33    38    39   0.15000  1.0 3.0
   50    33   -38    40   0.34400  1.0 1.0
   50    33   -38    40   0.09450 -1.0 2.0
   50    33   -38    40   0.11100  1.0 3.0
   50    33    38    42  -1.63150  1.0 1.0
   50    33    38    42  -0.43550 -1.0 2.0
   50    33    38    42   0.24500  1.0 3.0
   51    50    52    53   0.19450  1.0 3.0
   42    38    40    41   0.00000  1.0 1.0
   42    38    40    45  -0.51250  1.0 1.0
   42    38    40    45  -0.88800 -1.0 2.0
   42    38    40    45   0.08850  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
   38    41    40    45   1.10000 -1.0 2.0
   47    46    45    40   1.10000 -1.0 2.0
   43    38    42    44  10.50000 -1.0 2.0
END
