* LIGAND DATABASE FILE (OPLS2005)
*
001      59    59    102    157     302
    1     0 S   NP   _N1_     1    28.18374    95.06862   -24.14818
    2     1 S   H    _HN1     2     1.02956    87.71337    -8.90823
    3     1 S   H    _H1_     3     1.02837    20.54080   151.89631
    4     1 S   H    _H2_     4     1.02778   108.91006  -117.50275
    5     1 S   CT   _CA1     5     1.50154   125.80078   104.75966
    6     5 S   HC   _HA1     6     1.09577   105.18378    75.24704
    7     5 S   CO3  _C1_     7     1.53757   112.23045   -44.87855
    8     7 S   O2Z  _O11     8     1.26367   114.99191   -46.18696
    9     7 S   O2Z  _O12     9     1.26220   114.90606   132.63798
   10     5 S   CT   _CB1    10     1.53068   107.38700  -166.92878
   11    10 S   HC   HB11    11     1.09835   109.26090   -50.35439
   12    10 S   HC   HB12    12     1.09813   110.47335    66.16014
   13    10 S   CT   _CG1    13     1.53061   112.73720  -171.38400
   14    13 S   HC   HG11    14     1.09586   110.57403   -65.81594
   15    13 S   HC   HG12    15     1.09659   109.86524    53.43089
   16    13 S   C    _CD1    16     1.51867   112.09639   173.75873
   17    16 S   O    _OE1    17     1.22790   123.18911     4.63815
   18    16 S   N    _N2_    18     1.38551   111.91848  -175.31132
   19    18 S   H    _HN2    19     1.01576   119.24102     2.85286
   20    18 S   CT1  _CA2    20     1.45833   122.66369   177.50088
   21    20 S   HC   _HA2    21     1.09748   108.70733    28.24011
   22    20 S   C    _C2_    22     1.52971   107.09192   -88.68124
   23    22 S   O    _O2_    23     1.22985   123.09711   -28.06473
   24    20 S   CT   _CB2    32     1.53141   112.46835   151.40216
   25    24 S   HC   HB21    33     1.09602   110.38587    53.33919
   26    24 S   HC   HB22    34     1.09349   109.85099   172.08287
   27    22 S   N    _N3_    24     1.38536   112.55221   154.38782
   28    27 S   H    _HN3    25     1.01669   120.30296    -0.99603
   29    24 S   S    _SG2    35     1.82448   111.04041   -67.13219
   30    27 S   CT   _CA3    26     1.45341   122.47415   178.79878
   31    30 S   HC   HA31    27     1.09567   107.57181   -60.94104
   32    30 S   HC   HA32    28     1.09568   107.82276    55.36382
   33    29 S   CT   _C13    36     1.84800    99.57814  -176.61557
   34    33 S   HC   _H5_    37     1.09598   106.66590   -28.09821
   35    30 S   CO3  _C3_    29     1.52889   114.39750   177.30187
   36    35 S   O2Z  _O31    30     1.26324   116.10481    -1.03816
   37    35 S   O2Z  _O32    31     1.26455   114.38721   179.02261
   38    33 S   CM   _C11    38     1.50818   107.75135  -145.82065
   39    38 S   CM   _C10    39     1.44428   119.89420   -92.90701
   40    39 S   HC   _H9_    40     1.08554   118.12459   173.53449
   41    38 S   CMA  _C12    57     1.51165   121.77595    90.89884
   42    41 S   OM   _O36    58     1.26343   120.95336  -114.76708
   43    41 S   OM   _O37    59     1.26312   120.43352    64.92933
   44    39 S   CM   _C9_    41     1.34068   122.01874    -5.68162
   45    44 S   HC   _H8_    42     1.08602   119.10429   178.27603
   46    44 S   CT   _C8_    43     1.50410   123.25870    -2.96339
   47    46 S   HC   _H4_    44     1.09599   108.91461  -137.13707
   48    33 S   CT   _C7_    45     1.55211   114.39046    91.65051
   49    48 S   HC   _H3_    46     1.10024   105.12431  -172.57162
   50    46 S   OH   _O38    55     1.42603   108.81996   106.92963
   51    50 S   HO   _H10    56     0.97168   107.74579    53.73865
   52    48 S   OS   _O35    47     1.43554   109.61052   -55.73195
   53    52 S   CM   _C5_    48     1.37942   115.62381  -166.23231
   54    53 S   CM   _C4_    49     1.33715   120.79253  -133.90907
   55    54 S   HC   _H6_    50     1.08497   120.55358     2.19651
   56    54 S   HC   _H7_    51     1.08466   121.77330  -177.70766
   57    53 S   CO3  _C6_    52     1.53575   120.17173    50.56201
   58    57 S   O2Z  _O34    53     1.26511   115.46628  -129.90666
   59    57 S   O2Z  _O33    54     1.26471   115.08745    50.08675
  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
  15   7   2   1   1  11  10   4   4   1   1   8   4   7   5   7
   3   2   1   7   6   5   2   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    46    48    49    52    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    46    47    48    49    52    53    50    41    42    43  
   38    39    46    48    49    52    41  
   36    37  
   37  
    0  
   39    40    44    45    46    48    49    52    41    42    43  
   40    44    45    46    47    48    50    41    42    43  
   44    45    46    41  
   42    43    44    48  
   43  
    0  
   45    46    47    48    49    52    50    51  
   46    47    48    50  
   47    48    49    52    53    50    51  
   48    49    52    50    51  
   49    52    53    54    57    50    51  
   52    53    50  
   51    52  
    0  
   53    54    55    56    57    58    59  
   54    55    56    57    58    59  
   55    56    57    58    59  
   56    57  
   57  
   58    59  
   59  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5500   0.0760  -0.225300   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.800000   1.7000   1.5000   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   340.000  1.090
   33    38   317.000  1.510
   33    48   268.000  1.529
   38    39   380.000  1.444
   38    41   465.000  1.376
   39    40   340.000  1.080
   39    44   549.000  1.340
   44    45   340.000  1.080
   44    46   317.000  1.510
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    50   320.000  1.410
   48    49   340.000  1.090
   48    52   320.000  1.410
   52    53   440.000  1.360
   53    54   549.000  1.340
   53    57   230.000  1.545
   54    55   340.000  1.080
   54    56   340.000  1.080
   57    58   656.000  1.250
   57    59   656.000  1.250
   50    51   553.000  0.945
   41    42   745.000  1.250
   41    43   745.000  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  112.20000
   29    33    48    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    70.00000  124.00000
   33    48    46    58.35000  112.70000
   33    48    49    37.50000  110.70000
   33    48    52    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  120.00000
   38    39    44    70.00000  123.01800
   38    41    42    65.00000  137.10300
   38    41    43    65.00000  137.10300
   39    44    45    35.00000  120.00000
   39    44    46    70.00000  124.00000
   44    39    40    35.00000  120.00000
   44    46    47    35.00000  109.50000
   44    46    48    70.00000  112.02700
   44    46    50    90.00000  110.39200
   46    44    45    35.00000  117.00000
   46    48    49    37.50000  110.70000
   46    48    52    50.00000  109.50000
   46    50    51    55.00000  108.50000
   48    33    34    37.50000  110.70000
   48    33    38    70.00000  112.02700
   48    46    47    37.50000  110.70000
   48    52    53    90.00000  111.18400
   52    48    49    35.00000  109.50000
   52    53    54    80.00000  120.01400
   52    53    57    80.00000  119.00000
   53    54    55    35.00000  120.00000
   53    54    56    35.00000  120.00000
   53    57    58    85.00000  113.83300
   53    57    59    85.00000  113.83300
   56    54    55    35.00000  117.00000
   57    53    54    55.00000  124.75400
   59    57    58    80.00000  126.00000
   50    46    47    35.00000  109.50000
   50    46    48    50.00000  109.50000
   41    38    39    70.00000  117.34000
   43    41    42    65.00000  121.00000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    48    46   0.44750  1.0 1.0
   29    33    48    46  -0.17800 -1.0 2.0
   29    33    48    46   0.20200  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    52   0.56750  1.0 1.0
   29    33    48    52  -0.07550 -1.0 2.0
   29    33    48    52   0.20000  1.0 3.0
   33    38    39    40   0.00000  1.0 1.0
   33    38    39    44  -0.18600  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    43   7.00000 -1.0 2.0
   33    48    52    53  -0.46850  1.0 1.0
   33    48    52    53   0.09300 -1.0 2.0
   33    48    52    53  -0.12850  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    48    46   0.15000  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    52   0.23400  1.0 3.0
   38    33    48    46   0.34400  1.0 1.0
   38    33    48    46   0.09450 -1.0 2.0
   38    33    48    46   0.11100  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    52   0.61850  1.0 1.0
   38    33    48    52  -0.22750 -1.0 2.0
   38    33    48    52   0.15300  1.0 3.0
   38    39    44    45   7.00000 -1.0 2.0
   38    39   -44    46   7.00000 -1.0 2.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    43   7.00000 -1.0 2.0
   39    44    46    47   0.00000  1.0 1.0
   39    44    46    48   0.09850  1.0 1.0
   39    44    46    48   0.15250 -1.0 2.0
   39    44    46    48  -0.50650  1.0 3.0
   39    44    46    50   0.67800  1.0 1.0
   39    44    46    50   0.47050 -1.0 2.0
   39    44    46    50  -0.62500  1.0 3.0
   40    39    44    45   7.00000 -1.0 2.0
   40    39    44    46   7.00000 -1.0 2.0
   44    46   -48    33   0.34400  1.0 1.0
   44    46   -48    33   0.09450 -1.0 2.0
   44    46   -48    33   0.11100  1.0 3.0
   44    46    48    49   0.15000  1.0 3.0
   44    46    48    52   0.61850  1.0 1.0
   44    46    48    52  -0.22750 -1.0 2.0
   44    46    48    52   0.15300  1.0 3.0
   44    46    50    51  -0.07800  1.0 1.0
   44    46    50    51  -0.21500 -1.0 2.0
   44    46    50    51  -0.03150  1.0 3.0
   45    44    46    47   0.33100  1.0 3.0
   45    44    46    48   0.00000  1.0 1.0
   45    44    46    50   0.00000  1.0 1.0
   46    48    52    53  -0.46850  1.0 1.0
   46    48    52    53   0.09300 -1.0 2.0
   46    48    52    53  -0.12850  1.0 3.0
   47    46    48    33   0.15000  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    52   0.23400  1.0 3.0
   47    46    50    51   0.19450  1.0 3.0
   48    33   -38    39   0.98200  1.0 1.0
   48    33   -38    39  -0.11900 -1.0 2.0
   48    33   -38    39   0.24250  1.0 3.0
   48    33    38    41   0.09850  1.0 1.0
   48    33    38    41   0.15250 -1.0 2.0
   48    33    38    41  -0.50650  1.0 3.0
   48    46    50    51  -0.11600  1.0 1.0
   48    46    50    51  -0.09450 -1.0 2.0
   48    46    50    51   0.21250  1.0 3.0
   48    52    53    54  -2.26850  1.0 1.0
   48    52    53    54   3.39050 -1.0 2.0
   48    52    53    57   0.15100 -1.0 2.0
   49    48    52    53   0.08050  1.0 3.0
   52    53    54    55   7.00000 -1.0 2.0
   52    53    54    56   7.00000 -1.0 2.0
   52    53    57    58  -0.11900  1.0 1.0
   52    53    57    58   0.76850 -1.0 2.0
   52    53    57    58   0.14100  1.0 3.0
   52    53    57    59  -0.11900  1.0 1.0
   52    53    57    59   0.76850 -1.0 2.0
   52    53    57    59   0.14100  1.0 3.0
   54    53    57    58  -0.04000 -1.0 2.0
   54    53    57    58  -0.29050  1.0 3.0
   54    53    57    59  -0.04000 -1.0 2.0
   54    53    57    59  -0.29050  1.0 3.0
   57    53    54    55   7.00000 -1.0 2.0
   57    53    54    56   7.00000 -1.0 2.0
   50    46    48    33   0.86500  1.0 1.0
   50    46    48    33  -0.17500 -1.0 2.0
   50    46    48    33   0.20800  1.0 3.0
   50    46    48    49   0.23400  1.0 3.0
   50    46    48    52   3.69350  1.0 1.0
   50    46    48    52  -1.82950 -1.0 2.0
   41    38    39    40  -0.18600  1.0 3.0
   41    38    39    44   0.28850  1.0 1.0
   41    38    39    44   2.61350 -1.0 2.0
   41    38    39    44   0.78400  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    39    38    41   1.10000 -1.0 2.0
   38    40    39    44   1.10000 -1.0 2.0
   46    45    44    39   1.10000 -1.0 2.0
   52    57    53    54  15.00000 -1.0 2.0
   55    56    54    53  15.00000 -1.0 2.0
   58    53    57    59  10.50000 -1.0 2.0
   42    43    41    38   1.10000 -1.0 2.0
END
