* LIGAND DATABASE FILE (OPLS2005)
*
001      55    56     98    155     289
    1     0 S   NP   _N1_     1    28.07038    96.63143   -23.11785
    2     1 S   H    _HN1     2     1.02957    76.38905    -4.79502
    3     1 S   H    _H1_     3     1.02836    32.93644   153.52824
    4     1 S   H    _H2_     4     1.02778   107.27366  -110.07370
    5     1 S   CT   _CA1     5     1.50147   134.46469   100.56397
    6     5 S   HC   _HA1     6     1.09576   105.19440    86.90557
    7     5 S   CO3  _C1_     7     1.53773   112.26710   -33.24235
    8     7 S   O2Z  _O11     8     1.26369   114.99329   -45.46783
    9     7 S   O2Z  _O12     9     1.26226   114.92324   133.43718
   10     5 S   CT   _CB1    10     1.53077   107.39645  -155.23895
   11    10 S   HC   HB11    11     1.09832   109.30193   -50.34970
   12    10 S   HC   HB12    12     1.09813   110.45640    66.18988
   13    10 S   CT   _CG1    13     1.53037   112.69501  -171.38810
   14    13 S   HC   HG11    14     1.09591   110.53719   -65.13581
   15    13 S   HC   HG12    15     1.09658   109.88485    54.08431
   16    13 S   C    _CD1    16     1.51857   112.19636   174.43507
   17    16 S   O    _OE1    17     1.22774   123.23243     2.95327
   18    16 S   N    _N2_    18     1.38522   111.81342  -177.03654
   19    18 S   H    _HN2    19     1.01575   119.24644     3.20161
   20    18 S   CT1  _CA2    20     1.45883   122.83179   177.95838
   21    20 S   HC   _HA2    21     1.09728   108.78861    27.35631
   22    20 S   C    _C2_    22     1.52934   106.82761   -89.78485
   23    22 S   O    _O2_    23     1.23008   122.99619   -29.74935
   24    20 S   CT   _CB2    32     1.53227   112.26524   150.56714
   25    24 S   HC   HB21    33     1.09533   109.82411    55.35377
   26    24 S   HC   HB22    34     1.09455   109.76887   174.15005
   27    22 S   N    _N3_    24     1.38512   112.68920   152.68524
   28    27 S   H    _HN3    25     1.01659   120.35004    -0.84557
   29    24 S   S    _SG2    35     1.82915   110.75135   -66.13028
   30    27 S   CT   _CA3    26     1.45353   122.35793   178.82764
   31    30 S   HC   HA31    27     1.09567   107.45587   -63.46228
   32    30 S   HC   HA32    28     1.09572   107.92832    52.81545
   33    29 S   CT   _C11    36     1.85721   101.60411   167.48395
   34    33 S   OM   _O35    37     1.31847   109.80469   -71.35513
   35    30 S   CO3  _C3_    29     1.52867   114.50756   174.82987
   36    35 S   O2Z  _O31    30     1.26310   116.14982    -1.72975
   37    35 S   O2Z  _O32    31     1.26468   114.36941   178.37490
   38    33 S   CO4  _C10    38     1.53033   105.54269   170.59769
   39    38 S   O    _O33    39     1.23294   123.83059    94.87352
   40    33 S   CT   _C12    51     1.54471   114.54814    51.95810
   41    40 S   HC   _H5_    52     1.10251   109.39221   -61.04079
   42    40 S   HC   _H6_    53     1.10503   109.73496  -175.06069
   43    38 S   CM   _C9_    40     1.50405   115.87916   -81.68769
   44    43 S   CM   _C4_    41     1.34284   116.81648   164.62452
   45    44 S   HC   _H3_    42     1.08453   123.21568     2.32675
   46    44 S   CO4  _C5_    43     1.48185   120.72601  -176.31533
   47    46 S   O    _O37    44     1.22630   121.17150  -176.99821
   48    46 S   CM   _C6_    45     1.47904   117.68997     4.12891
   49    48 S   HC   _H4_    46     1.08387   117.47169   175.83228
   50    48 S   CM   _C7_    47     1.33843   120.80697    -4.06043
   51    43 S   CM   _C8_    48     1.47133   121.46337   -12.49201
   52    50 S   OH   _O36    54     1.38412   118.80416   179.36511
   53    52 S   HO   _H7_    55     0.97543   107.72480   178.24075
   54    51 S   CMA  _C13    49     1.36500   120.03349   -10.10525
   55    54 S   OM   _O34    50     1.26592   131.28253  -178.84225
  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   9   5   4   3
  11   7   2   1   1  11   4   7   4   3  10   8   4   6   3   6
   3   5   4   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    54    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    51    54    55    40    41    42  
   38    39    43    54    40    41    42  
   36    37  
   37  
    0  
   39    43    44    45    46    50    51    54    40    41    42  
   43    44    51    40  
   41    42    43    50    51    54    55  
   42    51    54    55  
   51    54    55  
   44    45    46    47    48    50    51    54    55    52  
   45    46    47    48    49    50    51    54  
   46    47    48    51  
   47    48    49    50    51    52  
   48    49    50  
   49    50    51    54    52    53  
   50    51    52  
   51    54    55    52    53  
   54    55    52    53  
   53    54  
    0  
   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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   52   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   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    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   570.000  1.307
   33    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    43   320.000  1.462
   43    44   549.000  1.340
   43    51   380.000  1.444
   44    45   340.000  1.080
   44    46   320.000  1.462
   46    47   570.000  1.229
   46    48   320.000  1.462
   48    49   340.000  1.080
   48    50   549.000  1.340
   50    51   380.000  1.444
   50    52   510.000  1.338
   51    54   465.000  1.376
   54    55   745.000  1.250
   54    40   270.000  1.512
   40    41   340.000  1.090
   40    42   340.000  1.090
   52    53   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    43    65.00000  118.62400
   33    40    54    70.00000  112.02700
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   38    33    34    90.00000  108.74100
   38    43    44    65.00000  118.96000
   38    43    51    65.00000  118.96000
   43    38    39    80.00000  123.72100
   43    44    45    35.00000  120.00000
   43    44    46    65.00000  118.96000
   43    51    50    70.00000  123.01800
   43    51    54    70.00000  117.34000
   44    46    47    80.00000  123.72100
   44    46    48    65.00000  118.65900
   46    44    45    40.00000  117.72500
   46    48    49    40.00000  117.72500
   46    48    50    65.00000  118.96000
   48    46    47    80.00000  123.72100
   48    50    51    70.00000  123.01800
   48    50    52    80.00000  121.38400
   50    48    49    35.00000  120.00000
   50    51    54    70.00000  117.34000
   50    52    53    70.00000  107.45700
   51    43    44    70.00000  123.01800
   51    54    55    65.00000  137.10300
   51    54    40    65.00000  122.18000
   54    40    41    45.00000  110.52000
   54    40    42    45.00000  110.52000
   40    33    34    50.00000  109.50000
   40    33    38    63.00000  111.10000
   40    54    55    85.00000  112.85300
   42    40    41    33.00000  107.80000
   52    50    51    80.00000  121.38400
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.30150 -1.0 2.0
   29    33    38    43   0.65300  1.0 1.0
   29    33    38    43  -0.03850 -1.0 2.0
   29    33    38    43   0.33900  1.0 3.0
   29    33    40    54   0.56750  1.0 1.0
   29    33    40    54  -0.07550 -1.0 2.0
   29    33    40    54   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   33    38    43    44  -0.33500  1.0 1.0
   33    38    43    44   1.06600 -1.0 2.0
   33    38    43    44  -0.14000  1.0 3.0
   33    38    43    51  -0.33500  1.0 1.0
   33    38    43    51   1.06600 -1.0 2.0
   33    38    43    51  -0.14000  1.0 3.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    43   0.65300  1.0 1.0
   34    33    38    43  -0.03850 -1.0 2.0
   34    33    38    43   0.33900  1.0 3.0
   34    33    40    54   0.61850  1.0 1.0
   34    33    40    54  -0.22750 -1.0 2.0
   34    33    40    54   0.15300  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    42   0.23400  1.0 3.0
   38    33    40    54  -0.98800  1.0 1.0
   38    33    40    54   0.48800 -1.0 2.0
   38    33    40    54   0.76800  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    42  -0.11250  1.0 3.0
   38    43    44    45   7.00000 -1.0 2.0
   38    43    44    46   7.00000 -1.0 2.0
   38    43    51    50  -0.18600  1.0 3.0
   38    43   -51    54  -0.18600  1.0 3.0
   39    38    43    44   1.00000 -1.0 2.0
   39    38    43    51   1.00000 -1.0 2.0
   43    44    46    47   1.00000 -1.0 2.0
   43    44    46    48  -1.18350  1.0 1.0
   43    44    46    48   1.45950 -1.0 2.0
   43    51    54    55   7.00000 -1.0 2.0
   43    51    54    40   7.00000 -1.0 2.0
   44    43    51    50   0.28850  1.0 1.0
   44    43    51    50   2.61350 -1.0 2.0
   44    43    51    50   0.78400  1.0 3.0
   44    43    51    54   0.28850  1.0 1.0
   44    43    51    54   2.61350 -1.0 2.0
   44    43    51    54   0.78400  1.0 3.0
   44    46    48    49   0.93700 -1.0 2.0
   44    46   -48    50  -1.18350  1.0 1.0
   44    46   -48    50   1.45950 -1.0 2.0
   45    44    46    47   0.00000  1.0 1.0
   45    44    46    48   0.93700 -1.0 2.0
   46    48    50    51   7.00000 -1.0 2.0
   46    48    50    52   7.00000 -1.0 2.0
   47    46    48    49   0.00000  1.0 1.0
   47    46    48    50   1.00000 -1.0 2.0
   48    50   -51    43   0.28850  1.0 1.0
   48    50   -51    43   2.61350 -1.0 2.0
   48    50   -51    43   0.78400  1.0 3.0
   48    50    51    54   0.28850  1.0 1.0
   48    50    51    54   2.61350 -1.0 2.0
   48    50    51    54   0.78400  1.0 3.0
   48    50    52    53  -0.66100  1.0 1.0
   48    50    52    53   1.20850 -1.0 2.0
   48    50    52    53  -0.36000  1.0 3.0
   49    48    50    51   7.00000 -1.0 2.0
   49    48    50    52   7.00000 -1.0 2.0
   50    51    54    55   7.00000 -1.0 2.0
   50    51    54    40   7.00000 -1.0 2.0
   51    43    44    45   7.00000 -1.0 2.0
   51    43   -44    46   7.00000 -1.0 2.0
   51    50    52    53  -0.66100  1.0 1.0
   51    50    52    53   1.20850 -1.0 2.0
   51    50    52    53  -0.36000  1.0 3.0
   51    54   -40    33   0.09850  1.0 1.0
   51    54   -40    33   0.15250 -1.0 2.0
   51    54   -40    33  -0.50650  1.0 3.0
   51    54    40    41   0.00000  1.0 1.0
   51    54    40    42   0.00000  1.0 1.0
   55    54    40    33   0.09700  1.0 1.0
   55    54    40    33   0.15600 -1.0 2.0
   55    54    40    33  -0.50800  1.0 3.0
   55    54    40    41   0.00000  1.0 1.0
   55    54    40    42   0.00000  1.0 1.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    43   0.65300  1.0 1.0
   40    33   -38    43  -0.03850 -1.0 2.0
   40    33   -38    43   0.33900  1.0 3.0
   52    50    51    43   0.50950  1.0 1.0
   52    50    51    43   0.56650 -1.0 2.0
   52    50    51    43   0.34050  1.0 3.0
   52    50    51    54   0.50950  1.0 1.0
   52    50    51    54   0.56650 -1.0 2.0
   52    50    51    54   0.34050  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    43    38    39  10.50000 -1.0 2.0
   38    51    43    44   1.10000 -1.0 2.0
   46    45    44    43   1.10000 -1.0 2.0
   44    48    46    47  10.50000 -1.0 2.0
   46    49    48    50   1.10000 -1.0 2.0
   51    52    50    48   1.10000 -1.0 2.0
   43    50    51    54   1.10000 -1.0 2.0
   40    55    54    51   1.10000 -1.0 2.0
END
