* LIGAND DATABASE FILE (OPLS2005)
*
001      55    56    100    159     295
    1     0 S   NP   _N1_     1    28.06092    96.20891   -21.97607
    2     1 S   H    _HN1     2     1.02777    98.40853  -117.73257
    3     1 S   H    _H1_     3     1.02957    79.03330   -10.56898
    4     1 S   H    _H2_     4     1.02836    34.76177   132.91131
    5     1 S   CT   _CA1     5     1.50133   141.78207    98.56951
    6     5 S   HC   _HA1     6     1.09576   105.21310    79.34061
    7     5 S   CO3  _C1_     7     1.53774   112.29876   -40.84165
    8     7 S   O2Z  _O11     8     1.26364   115.00187   -45.39063
    9     7 S   O2Z  _O12     9     1.26228   114.91848   133.62914
   10     5 S   CT   _CB1    10     1.53087   107.41223  -162.78685
   11    10 S   HC   HB11    11     1.09830   109.30869   -50.58340
   12    10 S   HC   HB12    12     1.09815   110.44287    65.95106
   13    10 S   CT   _CG1    13     1.53038   112.69708  -171.64335
   14    13 S   HC   HG11    14     1.09592   110.52209   -64.66895
   15    13 S   HC   HG12    15     1.09656   109.90648    54.55337
   16    13 S   C    _CD1    16     1.51847   112.22632   174.90534
   17    16 S   O    _OE1    17     1.22763   123.25236     1.62040
   18    16 S   N    _N2_    18     1.38550   111.79970  -178.39624
   19    18 S   H    _HN2    19     1.01576   119.11229     4.11228
   20    18 S   CT1  _CA2    20     1.45868   122.80997   177.73661
   21    20 S   HC   _HA2    21     1.09721   108.91464    24.90115
   22    20 S   C    _C2_    22     1.52930   106.75927   -92.23295
   23    22 S   O    _O2_    23     1.23003   122.96738   -28.48971
   24    20 S   CT   _CB2    32     1.53267   112.35826   148.06928
   25    24 S   HC   HB21    33     1.09532   109.72901    55.88918
   26    24 S   HC   HB22    34     1.09453   109.82251   174.56174
   27    22 S   N    _N3_    24     1.38486   112.72563   154.17332
   28    27 S   H    _HN3    25     1.01664   120.43208    -1.87711
   29    24 S   S    _SG2    35     1.83029   110.89483   -64.57103
   30    27 S   CT   _CA3    26     1.45368   122.30638   178.69689
   31    30 S   HC   HA31    27     1.09573   107.64978   -58.74018
   32    30 S   HC   HA32    28     1.09571   107.72871    57.53935
   33    29 S   CT   _C12    36     1.86174   101.34463  -172.62302
   34    30 S   CO3  _C3_    29     1.52856   114.46581   179.39026
   35    34 S   O2Z  _O31    30     1.26310   116.08916    -1.62895
   36    34 S   O2Z  _O32    31     1.26450   114.39054   178.38844
   37    33 S   NT   _N4_    37     1.47890   109.78089    68.83660
   38    37 S   H    _H3_    38     1.02195   106.70121    -0.55391
   39    33 S   CM   _C8_    51     1.50139   109.23806   -57.46752
   40    39 S   HC   _H8_    52     1.09019   116.10544    81.63214
   41    37 S   CT1  _C4_    39     1.48878   106.91569   114.73733
   42    41 S   HC   _H4_    40     1.09797   108.26960    96.80140
   43    41 S   CT   _C6_    41     1.52246   106.84103   -22.30436
   44    43 S   HC   _H5_    42     1.09510   113.37016   -82.88075
   45    43 S   HC   _H6_    43     1.09458   111.37060   153.99657
   46    41 S   CO3  _C5_    53     1.53586   107.72959  -143.91349
   47    46 S   O2Z  _O1_    54     1.26452   114.71994  -121.56699
   48    46 S   O2Z  _O33    55     1.26434   115.94076    58.56183
   49    33 S   CM   _C10    44     1.49715   107.30740  -177.88067
   50    49 S   CM   _C7_    45     1.33482   124.11288    98.04407
   51    50 S   HC   _H7_    46     1.08262   122.98300   177.34141
   52    50 S   CO4  _C11    47     1.48552   118.76122     1.64996
   53    52 S   O    _O4_    48     1.23003   118.67576  -163.72426
   54    52 S   CMA  _C9_    49     1.52600   118.18304    19.89568
   55    54 S   OM   _O3_    50     1.26208   115.43368   160.94599
  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   2   1   1  14   6   9   4   9   7   9   4   3   3   1   1
   5   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    43    49    50    54    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    43    44    45    49    50    51    52    54    55    39    40    46  
   35    36  
   36  
    0  
   38    41    42    43    44    45    49    50    54    39    40    46    47    48  
   41    42    43    49    39    46  
   40    41    43    49    50    52    53    54    55  
   49    52    54    55  
   42    43    44    45    49    50    46    47    48  
   43    44    45    49    46    47    48  
   44    45    49    50    51    52    46    47    48  
   45    49    50    46  
   49    50    46  
   47    48    49  
   48  
    0  
   50    51    52    53    54  
   51    52    53    54    55  
   52    53    54  
   53    54    55  
   54    55  
   55  
    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   0.367500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.3000   0.1700  -0.702500   1.8650   1.6500   0.051222218  -2.220205820
   38   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   55   3.1500   0.2500  -0.773900   1.7825   1.5750   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   382.000  1.448
   33    49   317.000  1.510
   33    39   317.000  1.510
   37    38   434.000  1.010
   37    41   305.000  1.457
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   317.000  1.522
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    49   317.000  1.510
   49    50   549.000  1.340
   50    51   340.000  1.080
   50    52   320.000  1.462
   52    53   570.000  1.229
   52    54   270.000  1.476
   54    55   745.000  1.250
   54    39   465.000  1.376
   39    40   340.000  1.080
   46    47   656.000  1.250
   46    48   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    85.00000  109.00000
   29    33    49    75.00000  112.20000
   29    33    39    75.00000  112.20000
   33    37    38    35.00000  109.50000
   33    37    41    51.80000  107.20000
   33    49    43    65.00000  117.92700
   33    49    50    70.00000  124.00000
   33    39    54    70.00000  124.00000
   33    39    40    35.00000  117.00000
   37    41    42    50.00000  109.55000
   37    41    43    80.00000  111.22000
   37    41    46    75.00000  111.54000
   41    37    38    50.00000  111.55300
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    49    70.00000  112.02700
   41    46    47    70.00000  117.00000
   41    46    48    70.00000  117.00000
   43    41    42    37.50000  110.70000
   43    49    50    70.00000  124.00000
   45    43    44    33.00000  107.80000
   49    33    37    75.00000  110.70900
   49    43    44    35.00000  109.50000
   49    43    45    35.00000  109.50000
   49    50    51    35.00000  120.00000
   49    50    52    65.00000  118.96000
   50    52    53    80.00000  123.72100
   50    52    54    65.00000  118.65900
   52    50    51    40.00000  117.72500
   52    54    55    85.00000  116.28000
   52    54    39    65.00000  114.61000
   54    52    53    80.00000  120.81000
   54    39    40    40.00000  120.50800
   39    33    37    75.00000  110.70900
   39    33    49    70.00000  110.12100
   39    54    55    65.00000  137.10300
   46    41    42    35.00000  109.50000
   46    41    43    63.00000  111.10000
   48    46    47    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    49  -0.62250  1.0 1.0
   24    29    33    49  -0.38450 -1.0 2.0
   24    29    33    49   0.81900  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38  -0.05900  1.0 1.0
   29    33    37    38   0.08350 -1.0 2.0
   29    33    37    38   0.12500  1.0 3.0
   29    33    37    41   0.23200  1.0 1.0
   29    33    37    41   0.02100 -1.0 2.0
   29    33    37    41   0.24950  1.0 3.0
   29    33    49    43   0.30250  1.0 1.0
   29    33    49    43  -0.14950 -1.0 2.0
   29    33    49    43   0.36900  1.0 3.0
   29    33    49    50   0.42700  1.0 1.0
   29    33    49    50  -0.70350 -1.0 2.0
   29    33    49    50  -0.43150  1.0 3.0
   29    33    39    54   0.42700  1.0 1.0
   29    33    39    54  -0.70350 -1.0 2.0
   29    33    39    54  -0.43150  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   33    37    41    42   0.28000  1.0 3.0
   33    37   -41    43   0.23450  1.0 1.0
   33    37   -41    43   0.02050 -1.0 2.0
   33    37   -41    43   0.25250  1.0 3.0
   33    37    41    46  -1.76800  1.0 1.0
   33    37    41    46   1.02600 -1.0 2.0
   33    37    41    46   0.19700  1.0 3.0
   33    49    50    51   7.00000 -1.0 2.0
   33    49    50    52   7.00000 -1.0 2.0
   37    33   -49    43   0.52100  1.0 1.0
   37    33   -49    43  -0.20350 -1.0 2.0
   37    33   -49    43   0.29750  1.0 3.0
   37    33    49    50   0.90200  1.0 1.0
   37    33    49    50   0.57900 -1.0 2.0
   37    33    49    50  -0.62100  1.0 3.0
   37    33    39    54   0.90200  1.0 1.0
   37    33    39    54   0.57900 -1.0 2.0
   37    33    39    54  -0.62100  1.0 3.0
   37    33    39    40   0.00000  1.0 1.0
   37    41    43    44   0.15000  1.0 3.0
   37    41    43    45   0.15000  1.0 3.0
   37    41   -43    49   0.59950  1.0 1.0
   37    41   -43    49  -0.21400 -1.0 2.0
   37    41   -43    49   0.56200  1.0 3.0
   37    41    46    47   0.30150 -1.0 2.0
   37    41    46    48   0.30150 -1.0 2.0
   38    37    41    42   0.20000  1.0 3.0
   38    37    41    43  -0.15950  1.0 1.0
   38    37    41    43   0.34650 -1.0 2.0
   38    37    41    43   0.05750  1.0 3.0
   38    37    41    46   0.21900  1.0 1.0
   38    37    41    46  -0.24900 -1.0 2.0
   38    37    41    46   0.15200  1.0 3.0
   41    43   -49    33   0.46850  1.0 1.0
   41    43   -49    33   0.08550 -1.0 2.0
   41    43   -49    33   0.09800  1.0 3.0
   41    43    49    50   0.09850  1.0 1.0
   41    43    49    50   0.15250 -1.0 2.0
   41    43    49    50  -0.50650  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    49   0.15000  1.0 3.0
   42    41    46    47   0.00000  1.0 1.0
   42    41    46    48   0.00000  1.0 1.0
   43    41    46    47   0.00000  1.0 1.0
   43    41    46    48   0.00000  1.0 1.0
   43    49    50    51   7.00000 -1.0 2.0
   43    49    50    52   7.00000 -1.0 2.0
   44    43    49    33   0.34800  1.0 3.0
   44    43    49    50   0.00000  1.0 1.0
   45    43    49    33   0.34800  1.0 3.0
   45    43    49    50   0.00000  1.0 1.0
   49    33    37    38   0.12450  1.0 1.0
   49    33    37    38  -0.40750 -1.0 2.0
   49    33    37    38   0.30300  1.0 3.0
   49    33   -37    41  -0.60800  1.0 1.0
   49    33   -37    41   1.10050 -1.0 2.0
   49    33   -37    41   0.47000  1.0 3.0
   49    33    39    54  -0.28300  1.0 1.0
   49    33    39    54   0.26700 -1.0 2.0
   49    33    39    54  -0.63300  1.0 3.0
   49    33    39    40   0.00000  1.0 1.0
   49    50    52    53   1.00000 -1.0 2.0
   49    50   -52    54  -1.18350  1.0 1.0
   49    50   -52    54   1.45950 -1.0 2.0
   50    52    54    55   1.50000 -1.0 2.0
   50    52    54    39  -1.18350  1.0 1.0
   50    52    54    39   1.45950 -1.0 2.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.93700 -1.0 2.0
   52    54   -39    33   7.00000 -1.0 2.0
   52    54    39    40   7.00000 -1.0 2.0
   53    52    54    55  -0.11900  1.0 1.0
   53    52    54    55   0.76850 -1.0 2.0
   53    52    54    55   0.14100  1.0 3.0
   53    52    54    39   1.00000 -1.0 2.0
   55    54    39    33   7.00000 -1.0 2.0
   55    54    39    40   7.00000 -1.0 2.0
   39    33    37    38   0.12450  1.0 1.0
   39    33    37    38  -0.40750 -1.0 2.0
   39    33    37    38   0.30300  1.0 3.0
   39    33    37    41  -0.60800  1.0 1.0
   39    33    37    41   1.10050 -1.0 2.0
   39    33    37    41   0.47000  1.0 3.0
   39    33    49    43   0.09700  1.0 1.0
   39    33    49    43   0.15600 -1.0 2.0
   39    33    49    43  -0.50800  1.0 3.0
   39    33   -49    50  -0.28300  1.0 1.0
   39    33   -49    50   0.26700 -1.0 2.0
   39    33   -49    50  -0.63300  1.0 3.0
   46    41    43    44  -0.03800  1.0 3.0
   46    41    43    45  -0.03800  1.0 3.0
   46    41    43    49  -0.98800  1.0 1.0
   46    41    43    49   0.48800 -1.0 2.0
   46    41    43    49   0.76800  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
   36    30    34    35  10.50000 -1.0 2.0
   33    43    49    50   1.10000 -1.0 2.0
   52    51    50    49   1.10000 -1.0 2.0
   50    54    52    53  10.50000 -1.0 2.0
   52    55    54    39   1.10000 -1.0 2.0
   33    40    39    54   1.10000 -1.0 2.0
   47    41    46    48  10.50000 -1.0 2.0
END
