* LIGAND DATABASE FILE (OPLS2005)
*
001      56    56     99    157     299
    1     0 S   NP   _N1_     1    28.60209    94.28855   -23.68589
    2     1 S   H    _HN1     2     1.02773   107.33492   -86.75188
    3     1 S   H    _H1_     3     1.02961    84.60609    20.81158
    4     1 S   H    _H2_     4     1.02831    24.39699   177.93834
    5     1 S   CT   _CA1     5     1.50157   129.47557   132.80713
    6     5 S   HC   _HA1     6     1.09580   105.17608    77.34936
    7     5 S   CO3  _C1_     7     1.53737   112.33153   -42.73154
    8     7 S   O2Z  _O11     8     1.26361   114.97050   -43.88043
    9     7 S   O2Z  _O12     9     1.26228   114.89621   135.01433
   10     5 S   CT   _CB1    10     1.53068   107.38288  -164.84514
   11    10 S   HC   HB11    11     1.09833   109.15197   -50.95135
   12    10 S   HC   HB12    12     1.09815   110.48565    65.53055
   13    10 S   CT   _CG1    13     1.53049   112.79130  -172.05186
   14    13 S   HC   HG11    14     1.09591   110.52272   -67.01527
   15    13 S   HC   HG12    15     1.09664   109.90049    52.24094
   16    13 S   C    _CD1    16     1.51863   112.17857   172.45356
   17    16 S   O    _OE1    17     1.22747   123.20152     2.74880
   18    16 S   N    _N2_    18     1.38643   111.79522  -176.83838
   19    18 S   H    _HN2    19     1.01591   119.04198     0.42151
   20    18 S   CT1  _CA2    20     1.46236   123.34320   177.91512
   21    20 S   HC   _HA2    21     1.09742   109.36217     1.44929
   22    20 S   C    _C2_    22     1.53599   108.63422  -114.05538
   23    22 S   O    _O2_    23     1.23047   122.13974  -146.09623
   24    20 S   CT   _CB2    32     1.53531   111.69468   123.40310
   25    24 S   HC   HB21    33     1.09350   109.50925    57.51089
   26    24 S   HC   HB22    34     1.09409   109.48805   176.16335
   27    22 S   N    _N3_    24     1.38481   113.66444    41.33984
   28    27 S   H    _HN3    25     1.01472   119.00655    -0.55072
   29    24 S   S    _SG2    35     1.82912   111.25506   -64.28210
   30    27 S   CT   _CA3    26     1.45455   123.51131   175.24634
   31    30 S   HC   HA31    27     1.09516   109.36061    22.66804
   32    30 S   HC   HA32    28     1.09500   107.10422   139.67606
   33    29 S   CT   _C10    36     1.85443   102.01025   174.08268
   34    33 S   HC   _H3_    37     1.09737   102.89800   172.38544
   35    30 S   CO3  _C3_    29     1.52903   112.97102  -100.89952
   36    35 S   O2Z  _O31    30     1.26411   115.33434   -46.66652
   37    35 S   O2Z  _O32    31     1.26343   115.03113   134.22800
   38    33 S   CT   _C8_    38     1.54260   111.74990   -69.43531
   39    38 S   HC   _H18    39     1.09639   110.36945    51.67711
   40    38 S   CM   _C4_    40     1.51111   112.64285   169.74337
   41    40 S   HC   _H16    41     1.08772   117.87580   167.41276
   42    38 S   CO3  _C6_    54     1.54340   113.15206   -69.75584
   43    42 S   O2Z  _O9_    55     1.26622   114.37938   138.20896
   44    42 S   O2Z  _O33    56     1.26298   116.50362   -42.15181
   45    40 S   CM   _C5_    42     1.34089   123.55309   -12.46274
   46    45 S   HC   _H17    43     1.08759   118.50632   178.09525
   47    45 S   CT   _C11    44     1.50774   123.40784    -1.72533
   48    33 S   CT   _C9_    45     1.54340   113.06238    56.67613
   49    48 S   HC   _H19    46     1.09583   109.49914   -64.54784
   50    47 S   CO3  _C7_    49     1.55349   106.81479  -139.05681
   51    50 S   O2Z  _O10    50     1.26389   116.36817    87.89532
   52    50 S   O2Z  _O34    51     1.26783   114.85574   -90.93076
   53    47 S   OH   _O14    52     1.43691   106.52259   104.81852
   54    53 S   HO   _H22    53     0.97453   107.02377    86.61792
   55    48 S   OH   _O13    47     1.43075   110.38957    53.59946
   56    55 S   HO   _H21    48     0.97241   107.13920   -50.21369
  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  10   4   9   8
   4   5   2   1   2   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    48    49    55    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    47    48    49    55    56    50    53    42    43    44  
   38    39    40    47    48    49    55    42  
   36    37  
   37  
    0  
   39    40    41    45    46    47    48    49    55    42    43    44  
   40    41    45    48    42    43    44  
   41    45    46    47    48    50    53    42    43    44  
   45    46    47    42  
   43    44    45    48  
   44  
    0  
   46    47    48    49    55    50    51    52    53    54  
   47    48    50    53  
   48    49    55    56    50    51    52    53    54  
   49    55    56    50    51    52    53    54  
   55    56    50    53  
   51    52    53    54    55  
   52    53  
   53  
   54    55  
    0  
   56  
    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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.165000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   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    48   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   340.000  1.080
   45    47   317.000  1.510
   47    48   268.000  1.529
   47    50   317.000  1.522
   47    53   320.000  1.410
   48    49   340.000  1.090
   48    55   320.000  1.410
   55    56   553.000  0.945
   50    51   656.000  1.250
   50    52   656.000  1.250
   53    54   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    48    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    48    47    58.35000  112.70000
   33    48    49    37.50000  110.70000
   33    48    55    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    35.00000  120.00000
   40    45    47    70.00000  124.00000
   45    40    41    35.00000  120.00000
   45    47    48    70.00000  112.02700
   45    47    50    65.00000  111.94000
   45    47    53    90.00000  110.39200
   47    45    46    35.00000  117.00000
   47    48    49    37.50000  110.70000
   47    48    55    50.00000  109.50000
   47    50    51    70.00000  117.00000
   47    50    52    70.00000  117.00000
   47    53    54    55.00000  108.50000
   48    33    34    37.50000  110.70000
   48    33    38    58.35000  112.70000
   48    55    56    55.00000  108.50000
   55    48    49    35.00000  109.50000
   50    47    48    70.00000  109.69300
   52    50    51    80.00000  126.00000
   53    47    48    50.00000  109.50000
   53    47    50    95.00000  109.52300
   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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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    48    47   0.44750  1.0 1.0
   29    33    48    47  -0.17800 -1.0 2.0
   29    33    48    47   0.20200  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    55   0.56750  1.0 1.0
   29    33    48    55  -0.07550 -1.0 2.0
   29    33    48    55   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    48    55    56  -0.11600  1.0 1.0
   33    48    55    56  -0.09450 -1.0 2.0
   33    48    55    56   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    48    47   0.15000  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    55   0.23400  1.0 3.0
   38    33    48    47   0.56750  1.0 1.0
   38    33    48    47  -0.07550 -1.0 2.0
   38    33    48    47   0.20000  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    55   0.86500  1.0 1.0
   38    33    48    55  -0.17500 -1.0 2.0
   38    33    48    55   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   0.09850  1.0 1.0
   40    45    47    48   0.15250 -1.0 2.0
   40    45    47    48  -0.50650  1.0 3.0
   40    45    47    50  -0.51250  1.0 1.0
   40    45    47    50  -0.88800 -1.0 2.0
   40    45    47    50   0.08850  1.0 3.0
   40    45    47    53   0.67800  1.0 1.0
   40    45    47    53   0.47050 -1.0 2.0
   40    45    47    53  -0.62500  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   -48    33   0.34400  1.0 1.0
   45    47   -48    33   0.09450 -1.0 2.0
   45    47   -48    33   0.11100  1.0 3.0
   45    47    48    49   0.15000  1.0 3.0
   45    47    48    55   1.05650  1.0 1.0
   45    47    48    55   0.15600 -1.0 2.0
   45    47    48    55   0.53150  1.0 3.0
   45    47    50    51   0.30150 -1.0 2.0
   45    47    50    52   0.30150 -1.0 2.0
   45    47    53    54  -0.07800  1.0 1.0
   45    47    53    54  -0.21500 -1.0 2.0
   45    47    53    54  -0.03150  1.0 3.0
   46    45    47    48   0.00000  1.0 1.0
   46    45    47    50   0.00000  1.0 1.0
   46    45    47    53   0.00000  1.0 1.0
   47    48    55    56  -0.11600  1.0 1.0
   47    48    55    56  -0.09450 -1.0 2.0
   47    48    55    56   0.21250  1.0 3.0
   48    33    38    39   0.15000  1.0 3.0
   48    33   -38    40   0.34400  1.0 1.0
   48    33   -38    40   0.09450 -1.0 2.0
   48    33   -38    40   0.11100  1.0 3.0
   48    33    38    42  -1.63150  1.0 1.0
   48    33    38    42  -0.43550 -1.0 2.0
   48    33    38    42   0.24500  1.0 3.0
   48    47    50    51   0.41150 -1.0 2.0
   48    47    50    52   0.41150 -1.0 2.0
   48    47    53    54  -0.11600  1.0 1.0
   48    47    53    54  -0.09450 -1.0 2.0
   48    47    53    54   0.21250  1.0 3.0
   49    48    55    56   0.19450  1.0 3.0
   50    47    48    33  -1.63150  1.0 1.0
   50    47    48    33  -0.43550 -1.0 2.0
   50    47    48    33   0.24500  1.0 3.0
   50    47    48    49  -0.11250  1.0 3.0
   50    47    48    55  -5.33000  1.0 1.0
   50    47    48    55  -0.54250 -1.0 2.0
   50    47    48    55  -0.07300  1.0 3.0
   50    47    53    54   0.91850  1.0 1.0
   50    47    53    54   0.57950  1.0 3.0
   53    47    48    33   0.86500  1.0 1.0
   53    47    48    33  -0.17500 -1.0 2.0
   53    47    48    33   0.20800  1.0 3.0
   53    47    48    49   0.23400  1.0 3.0
   53    47    48    55   3.75450  1.0 1.0
   53    47    50    51   0.30150 -1.0 2.0
   53    47    50    52   0.30150 -1.0 2.0
   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
   51    47    50    52  10.50000 -1.0 2.0
   43    38    42    44  10.50000 -1.0 2.0
END
