* LIGAND DATABASE FILE (OPLS2005)
*
001      56    56     98    151     290
    1     0 S   NP   _N1_     1    28.82369    95.62767   -24.57973
    2     1 S   H    _HN1     2     1.02795   115.04232   -98.68403
    3     1 S   H    _H1_     3     1.02947    75.37061     5.06009
    4     1 S   H    _H2_     4     1.02827    31.98987   177.52868
    5     1 S   CT   _CA1     5     1.50126   127.29562   109.80478
    6     5 S   HC   _HA1     6     1.09574   105.15944    90.89772
    7     5 S   CO3  _C1_     7     1.53768   112.44987   -29.30540
    8     7 S   O2Z  _O11     8     1.26377   115.00624   -42.84573
    9     7 S   O2Z  _O12     9     1.26235   114.94186   136.14580
   10     5 S   CT   _CB1    10     1.53057   107.40105  -151.14414
   11    10 S   HC   HB11    11     1.09842   109.32764   -49.35756
   12    10 S   HC   HB12    12     1.09810   110.48099    67.23550
   13    10 S   CT   _CG1    13     1.53022   112.64025  -170.28576
   14    13 S   HC   HG11    14     1.09569   110.73569   -67.39136
   15    13 S   HC   HG12    15     1.09670   109.69458    51.85737
   16    13 S   C    _CD1    16     1.51817   111.96941   172.34142
   17    16 S   O    _OE1    17     1.22759   123.16973    12.63171
   18    16 S   N    _N2_    18     1.38643   111.85060  -167.37519
   19    18 S   H    _HN2    19     1.01578   119.02612     0.91685
   20    18 S   CT1  _CA2    20     1.46236   123.38669   176.51755
   21    20 S   HC   _HA2    21     1.09739   109.23407     8.15586
   22    20 S   C    _C2_    22     1.53708   109.01855  -107.35857
   23    22 S   O    _O2_    23     1.23090   122.19995  -150.12504
   24    20 S   CT   _CB2    32     1.53362   111.62713   130.11599
   25    24 S   HC   HB21    33     1.09513   109.81084    56.53357
   26    24 S   HC   HB22    34     1.09509   110.12354   175.61599
   27    22 S   N    _N3_    24     1.38299   113.94710    37.42118
   28    27 S   H    _HN3    25     1.01535   119.62363    -3.28623
   29    24 S   S    _SG2    35     1.82645   111.51337   -64.43008
   30    27 S   CT   _CA3    26     1.45282   123.30103   177.17992
   31    30 S   HC   HA31    27     1.09547   107.51805   -64.74129
   32    30 S   HC   HA32    28     1.09555   107.99468    51.72162
   33    29 S   CT   _C12    36     1.85116    99.86079  -171.23249
   34    33 S   HC   _H3_    37     1.10049   104.69690    57.68083
   35    30 S   CO3  _C3_    29     1.52981   114.03084   173.72152
   36    35 S   O2Z  _O31    30     1.26386   116.07672    -0.28804
   37    35 S   O2Z  _O32    31     1.26423   114.41974   179.77100
   38    33 S   CT   _C10    38     1.56391   115.53061   -59.46740
   39    38 S   OM   _O33    39     1.32558   110.96248   -59.48297
   40    38 S   HC   _H19    40     1.10088   104.40454    70.41177
   41    38 S   CM   _C5_    41     1.53441   109.42140  -176.98033
   42    41 S   CM   _C4_    42     1.34629   123.39691    21.12799
   43    42 S   HC   _H16    43     1.08519   122.26458  -176.75792
   44    41 S   CM   _C7_    50     1.46439   115.65372  -153.26324
   45    44 S   HC   _H17    51     1.08768   115.06407    39.00869
   46    42 S   CO4  _C6_    44     1.48424   121.85191     3.97528
   47    46 S   O    _O34    45     1.23129   119.18888   176.67433
   48    44 S   CM   _C8_    52     1.34168   124.89034  -139.40056
   49    48 S   HC   _H18    53     1.08886   119.91150     0.23070
   50    33 S   CT   _C11    46     1.54074   109.55491   170.98465
   51    50 S   HC   _H20    47     1.09679   109.85203   -58.58805
   52    48 S   CO3  _C9_    54     1.53424   121.89072   179.61336
   53    52 S   O2Z  _O10    55     1.26645   113.90637  -177.68168
   54    52 S   O2Z  _O13    56     1.26267   117.05146     2.66653
   55    50 S   OH   _O14    48     1.42003   113.54785    62.87910
   56    55 S   HO   _H22    49     0.97565   107.09918    41.49807
  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
  13   8   2   1   1  12   5   4  10   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    46    50    51    55  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    46    47    50    51    55    56    44  
   38    39    40    41    46    50    51    55  
   36    37  
   37  
    0  
   39    40    41    42    43    46    50    51    55    44    45    48  
   40    41    42    50    44  
   41    42    50    44  
   42    43    46    47    50    44    45    48    49    52  
   43    46    47    50    51    55    44    45    48  
   46    47    50    44  
   45    48    49    52    53    54    46  
   48    49    52  
   47    50    51    55    56  
   50    51    55  
   49    52    53    54  
   52    53    54  
   51    55    56  
   55    56  
   53    54  
   54  
    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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5500   0.0760  -0.425300   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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    50   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    41   317.000  1.510
   41    42   549.000  1.340
   41    44   380.000  1.444
   42    43   340.000  1.080
   42    46   320.000  1.462
   46    47   570.000  1.229
   46    50   317.000  1.522
   50    51   340.000  1.090
   50    55   320.000  1.410
   55    56   553.000  0.945
   44    45   340.000  1.080
   44    48   549.000  1.340
   48    49   340.000  1.080
   48    52   230.000  1.545
   52    53   656.000  1.250
   52    54   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    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    70.00000  112.02700
   33    50    46    63.00000  111.10000
   33    50    51    37.50000  110.70000
   33    50    55    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    70.00000  124.00000
   38    41    44    70.00000  124.00000
   40    38    39    45.00000  125.66300
   41    38    39    85.00000  110.90400
   41    38    40    35.00000  109.50000
   41    42    43    35.00000  120.00000
   41    42    46    65.00000  118.96000
   41    44    45    35.00000  120.00000
   41    44    48    70.00000  123.01800
   42    46    47    80.00000  123.72100
   42    46    50    65.00000  118.62400
   46    42    43    40.00000  117.72500
   46    50    51    35.00000  109.50000
   46    50    55    90.00000  109.61100
   50    33    34    37.50000  110.70000
   50    33    38    58.35000  112.70000
   50    46    47    80.00000  120.40000
   50    55    56    55.00000  108.50000
   55    50    51    35.00000  109.50000
   44    41    42    70.00000  123.01800
   44    48    49    35.00000  120.00000
   44    48    52    55.00000  124.75400
   48    44    45    35.00000  120.00000
   48    52    53    85.00000  113.83300
   48    52    54    85.00000  113.83300
   52    48    49    40.00000  118.53000
   54    52    53    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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  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    50    46   0.56750  1.0 1.0
   29    33    50    46  -0.07550 -1.0 2.0
   29    33    50    46   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    55   0.56750  1.0 1.0
   29    33    50    55  -0.07550 -1.0 2.0
   29    33    50    55   0.20000  1.0 3.0
   33    38    41    42   0.09850  1.0 1.0
   33    38    41    42   0.15250 -1.0 2.0
   33    38    41    42  -0.50650  1.0 3.0
   33    38    41    44   0.98200  1.0 1.0
   33    38    41    44  -0.11900 -1.0 2.0
   33    38    41    44   0.24250  1.0 3.0
   33    50    55    56  -0.11600  1.0 1.0
   33    50    55    56  -0.09450 -1.0 2.0
   33    50    55    56   0.21250  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    50    46  -0.11250  1.0 3.0
   34    33    50    51   0.15000  1.0 3.0
   34    33    50    55   0.23400  1.0 3.0
   38    33    50    46  -0.95700  1.0 1.0
   38    33    50    46  -0.18200 -1.0 2.0
   38    33    50    46   0.29450  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    55   0.86500  1.0 1.0
   38    33    50    55  -0.17500 -1.0 2.0
   38    33    50    55   0.20800  1.0 3.0
   38    41    42    43   7.00000 -1.0 2.0
   38    41   -42    46   7.00000 -1.0 2.0
   38    41    44    45   0.00000  1.0 1.0
   38    41    44    48  -0.18600  1.0 3.0
   39    38    41    42   0.39000  1.0 1.0
   39    38    41    42  -0.05800 -1.0 2.0
   39    38    41    42  -0.55150  1.0 3.0
   39    38    41    44   0.39000  1.0 1.0
   39    38    41    44  -0.05800 -1.0 2.0
   39    38    41    44  -0.55150  1.0 3.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    44   0.00000  1.0 1.0
   41    42    46    47   1.00000 -1.0 2.0
   41    42    46    50  -0.33500  1.0 1.0
   41    42    46    50   1.06600 -1.0 2.0
   41    42    46    50  -0.14000  1.0 3.0
   41    44    48    49   7.00000 -1.0 2.0
   41    44    48    52   7.00000 -1.0 2.0
   42    41    44    45  -0.18600  1.0 3.0
   42    41    44    48   0.28850  1.0 1.0
   42    41    44    48   2.61350 -1.0 2.0
   42    41    44    48   0.78400  1.0 3.0
   42    46   -50    33   0.65300  1.0 1.0
   42    46   -50    33  -0.03850 -1.0 2.0
   42    46   -50    33   0.33900  1.0 3.0
   42    46    50    51   0.00000  1.0 1.0
   42    46    50    55   0.65300  1.0 1.0
   42    46    50    55  -0.03850 -1.0 2.0
   42    46    50    55   0.33900  1.0 3.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    50   0.04550  1.0 1.0
   43    42    46    50   0.83000 -1.0 2.0
   43    42    46    50  -0.04000  1.0 3.0
   46    50    55    56   0.91850  1.0 1.0
   46    50    55    56   0.57950  1.0 3.0
   47    46    50    33   0.30150 -1.0 2.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    55   0.30150 -1.0 2.0
   50    33    38    39   0.62750  1.0 1.0
   50    33    38    39  -0.30950 -1.0 2.0
   50    33    38    39   0.27300  1.0 3.0
   50    33    38    40   0.15000  1.0 3.0
   50    33   -38    41   0.34400  1.0 1.0
   50    33   -38    41   0.09450 -1.0 2.0
   50    33   -38    41   0.11100  1.0 3.0
   51    50    55    56   0.19450  1.0 3.0
   44    41    42    43   7.00000 -1.0 2.0
   44    41    42    46   7.00000 -1.0 2.0
   44    48    52    53  -0.04000 -1.0 2.0
   44    48    52    53  -0.29050  1.0 3.0
   44    48    52    54  -0.04000 -1.0 2.0
   44    48    52    54  -0.29050  1.0 3.0
   45    44    48    49   7.00000 -1.0 2.0
   45    44    48    52   7.00000 -1.0 2.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    54   0.00000  1.0 1.0
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    44    41    42   1.10000 -1.0 2.0
   46    43    42    41   1.10000 -1.0 2.0
   42    50    46    47  10.50000 -1.0 2.0
   41    45    44    48  15.00000 -1.0 2.0
   52    49    48    44  15.00000 -1.0 2.0
   53    48    52    54  10.50000 -1.0 2.0
END
