* LIGAND DATABASE FILE (OPLS2005)
*
001      60    60    105    161     311
    1     0 S   NP   _N1_     1    28.50168    97.53434   -22.78497
    2     1 S   H    _HN1     2     1.02957    69.29837    -3.65848
    3     1 S   H    _H1_     3     1.02834    40.63634   153.50830
    4     1 S   H    _H2_     4     1.02781   106.11269  -107.58778
    5     1 S   CT   _CA1     5     1.50134   138.87732    94.00041
    6     5 S   HC   _HA1     6     1.09575   105.20563    96.03892
    7     5 S   CO3  _C1_     7     1.53770   112.40653   -24.14103
    8     7 S   O2Z  _O11     8     1.26363   114.99561   -43.18753
    9     7 S   O2Z  _O12     9     1.26237   114.92917   135.90307
   10     5 S   CT   _CB1    10     1.53085   107.41240  -146.05773
   11    10 S   HC   HB11    11     1.09830   109.28126   -50.57441
   12    10 S   HC   HB12    12     1.09816   110.43567    65.95843
   13    10 S   CT   _CG1    13     1.53029   112.71660  -171.65230
   14    13 S   HC   HG11    14     1.09589   110.52748   -65.40189
   15    13 S   HC   HG12    15     1.09658   109.89657    53.83216
   16    13 S   C    _CD1    16     1.51825   112.25292   174.16981
   17    16 S   O    _OE1    17     1.22749   123.26476     2.14740
   18    16 S   N    _N2_    18     1.38598   111.77905  -177.88567
   19    18 S   H    _HN2    19     1.01574   119.05749     3.42943
   20    18 S   CT1  _CA2    20     1.45934   122.76801   177.12329
   21    20 S   HC   _HA2    21     1.09650   110.00144    21.34912
   22    20 S   C    _C2_    22     1.52692   104.38484   -96.30501
   23    22 S   O    _O2_    23     1.23036   122.39537   -79.07331
   24    20 S   CT   _CB2    32     1.53186   111.83511   144.75726
   25    24 S   HC   HB21    33     1.09577   110.63843    51.62302
   26    24 S   HC   HB22    34     1.09437   109.42199   170.71581
   27    22 S   N    _N3_    24     1.38414   113.10575    96.41106
   28    27 S   H    _HN3    25     1.01686   120.27724     1.03647
   29    24 S   S    _SG2    35     1.82654   110.97680   -69.14095
   30    27 S   CT   _CA3    26     1.45351   122.40793  -177.94471
   31    30 S   HC   HA31    27     1.09566   107.58765   -60.49321
   32    30 S   HC   HA32    28     1.09574   107.78021    55.77082
   33    29 S   CT   _C11    36     1.84065    99.91279   168.37317
   34    33 S   HC   _H4_    37     1.09662   107.82288   -51.21568
   35    30 S   CO3  _C3_    29     1.52874   114.50841   177.64283
   36    35 S   O2Z  _O31    30     1.26310   116.13903    -0.61230
   37    35 S   O2Z  _O32    31     1.26461   114.37325   179.48718
   38    33 S   CM   _C10    38     1.51112   107.20546  -166.11002
   39    38 S   HC   _H10    39     1.08841   116.07951    69.41889
   40    38 S   CM   _C9_    40     1.34450   124.01689  -112.61143
   41    40 S   CT   _C8_    41     1.50620   122.49088     1.92570
   42    41 S   HC   _H8_    42     1.09763   110.00851   136.59239
   43    41 S   HC   _H9_    43     1.09782   109.27488  -107.65943
   44    40 S   CO3  _C13    58     1.54590   119.53316  -178.29705
   45    44 S   O2Z  _O38    59     1.26452   116.16445   -27.85861
   46    44 S   O2Z  _O37    60     1.26551   114.95324   152.44788
   47    41 S   CT   _C7_    44     1.53822   113.18637    15.52455
   48    47 S   HC   _H3_    45     1.09708   107.39148    75.09962
   49    33 S   CT   _C12    46     1.54211   112.43158    69.75917
   50    49 S   HC   _H5_    47     1.09346   111.65272   -44.56723
   51    47 S   OS   _O35    50     1.43725   107.19996  -166.84918
   52    49 S   OH   _O36    48     1.43641   108.75670  -160.11640
   53    52 S   HO   _H11    49     0.97209   107.49790    62.82369
   54    51 S   CM   _C5_    51     1.38039   115.43145  -168.09079
   55    54 S   CM   _C4_    52     1.33705   120.96821  -139.67668
   56    55 S   HC   _H6_    53     1.08472   120.60250     1.62160
   57    55 S   HC   _H7_    54     1.08482   121.68831  -178.47646
   58    54 S   CO3  _C6_    55     1.53437   120.55845    43.43630
   59    58 S   O2Z  _O34    56     1.26490   115.33703  -121.82923
   60    58 S   O2Z  _O33    57     1.26458   115.03086    57.91882
  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
  13   7   2   1   1  12   4  10  12   6   5   3   1   1   9   5
   5   3   8   1   1   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    49    50    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    47    48    49    50    52    53    51    44  
   38    39    40    47    49    50    52  
   36    37  
   37  
    0  
   39    40    41    42    43    47    49    50    52    44    45    46  
   40    41    49    44  
   41    42    43    47    48    49    51    44    45    46  
   42    43    47    48    49    50    52    51    54    44    45    46  
   43    47    48    49    51    44  
   47    48    49    51    44  
   45    46    47  
   46  
    0  
   48    49    50    52    53    51    54    55    58  
   49    50    52    51    54  
   50    52    53    51    54  
   52    53    51  
   54    55    56    57    58    59    60    52  
   53  
    0  
   55    56    57    58    59    60  
   56    57    58    59    60  
   57    58  
   58  
   59    60  
   60  
    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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.310300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0760  -0.225300   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   60   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    49   268.000  1.529
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   317.000  1.510
   40    44   230.000  1.545
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    51   320.000  1.410
   49    50   340.000  1.090
   49    52   320.000  1.410
   52    53   553.000  0.945
   51    54   440.000  1.360
   54    55   549.000  1.340
   54    58   230.000  1.545
   55    56   340.000  1.080
   55    57   340.000  1.080
   58    59   656.000  1.250
   58    60   656.000  1.250
   44    45   656.000  1.250
   44    46   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  112.20000
   29    33    49    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    49    47    58.35000  112.70000
   33    49    50    37.50000  110.70000
   33    49    52    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    70.00000  124.00000
   38    40    44    55.00000  124.75400
   40    38    39    35.00000  120.00000
   40    41    42    35.00000  109.50000
   40    41    43    35.00000  109.50000
   40    41    47    70.00000  112.02700
   40    44    45    85.00000  113.83300
   40    44    46    85.00000  113.83300
   41    47    48    37.50000  110.70000
   41    47    49    58.35000  112.70000
   41    47    51    50.00000  109.50000
   43    41    42    33.00000  107.80000
   47    41    42    37.50000  110.70000
   47    41    43    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    52    50.00000  109.50000
   47    51    54    90.00000  111.18400
   49    33    34    37.50000  110.70000
   49    33    38    70.00000  112.02700
   49    47    48    37.50000  110.70000
   49    52    53    55.00000  108.50000
   52    49    50    35.00000  109.50000
   51    47    48    35.00000  109.50000
   51    47    49    50.00000  109.50000
   51    54    55    80.00000  120.01400
   51    54    58    80.00000  119.00000
   54    55    56    35.00000  120.00000
   54    55    57    35.00000  120.00000
   54    58    59    85.00000  113.83300
   54    58    60    85.00000  113.83300
   57    55    56    35.00000  117.00000
   58    54    55    55.00000  124.75400
   60    58    59    80.00000  126.00000
   44    40    41    65.00000  117.04000
   46    44    45    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  -0.62250  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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    49    47   0.44750  1.0 1.0
   29    33    49    47  -0.17800 -1.0 2.0
   29    33    49    47   0.20200  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    52   0.56750  1.0 1.0
   29    33    49    52  -0.07550 -1.0 2.0
   29    33    49    52   0.20000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    44   7.00000 -1.0 2.0
   33    49    52    53  -0.11600  1.0 1.0
   33    49    52    53  -0.09450 -1.0 2.0
   33    49    52    53   0.21250  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    49    47   0.15000  1.0 3.0
   34    33    49    50   0.15000  1.0 3.0
   34    33    49    52   0.23400  1.0 3.0
   38    33    49    47   0.34400  1.0 1.0
   38    33    49    47   0.09450 -1.0 2.0
   38    33    49    47   0.11100  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    52   1.05650  1.0 1.0
   38    33    49    52   0.15600 -1.0 2.0
   38    33    49    52   0.53150  1.0 3.0
   38    40    41    42   0.00000  1.0 1.0
   38    40    41    43   0.00000  1.0 1.0
   38    40   -41    47   0.09850  1.0 1.0
   38    40   -41    47   0.15250 -1.0 2.0
   38    40   -41    47  -0.50650  1.0 3.0
   38    40    44    45  -0.04000 -1.0 2.0
   38    40    44    45  -0.29050  1.0 3.0
   38    40    44    46  -0.04000 -1.0 2.0
   38    40    44    46  -0.29050  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    44   7.00000 -1.0 2.0
   40    41    47    48   0.15000  1.0 3.0
   40    41    47    49   0.34400  1.0 1.0
   40    41    47    49   0.09450 -1.0 2.0
   40    41    47    49   0.11100  1.0 3.0
   40    41    47    51   0.61850  1.0 1.0
   40    41    47    51  -0.22750 -1.0 2.0
   40    41    47    51   0.15300  1.0 3.0
   41    40    44    45  -0.64400  1.0 1.0
   41    40    44    45   0.26850 -1.0 2.0
   41    40    44    46  -0.64400  1.0 1.0
   41    40    44    46   0.26850 -1.0 2.0
   41    47   -49    33   0.56750  1.0 1.0
   41    47   -49    33  -0.07550 -1.0 2.0
   41    47   -49    33   0.20000  1.0 3.0
   41    47    49    50   0.15000  1.0 3.0
   41    47    49    52   0.86500  1.0 1.0
   41    47    49    52  -0.17500 -1.0 2.0
   41    47    49    52   0.20800  1.0 3.0
   41    47    51    54  -0.46850  1.0 1.0
   41    47    51    54   0.09300 -1.0 2.0
   41    47    51    54  -0.12850  1.0 3.0
   42    41    47    48   0.15000  1.0 3.0
   42    41    47    49   0.15000  1.0 3.0
   42    41    47    51   0.23400  1.0 3.0
   43    41    47    48   0.15000  1.0 3.0
   43    41    47    49   0.15000  1.0 3.0
   43    41    47    51   0.23400  1.0 3.0
   47    49    52    53  -0.11600  1.0 1.0
   47    49    52    53  -0.09450 -1.0 2.0
   47    49    52    53   0.21250  1.0 3.0
   47    51    54    55  -2.26850  1.0 1.0
   47    51    54    55   3.39050 -1.0 2.0
   47    51    54    58   0.15100 -1.0 2.0
   48    47    49    33   0.15000  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    52   0.23400  1.0 3.0
   48    47    51    54   0.08050  1.0 3.0
   49    33    38    39   0.00000  1.0 1.0
   49    33   -38    40   0.09850  1.0 1.0
   49    33   -38    40   0.15250 -1.0 2.0
   49    33   -38    40  -0.50650  1.0 3.0
   49    47    51    54  -0.46850  1.0 1.0
   49    47    51    54   0.09300 -1.0 2.0
   49    47    51    54  -0.12850  1.0 3.0
   50    49    52    53   0.19450  1.0 3.0
   51    47    49    33   0.62750  1.0 1.0
   51    47    49    33  -0.30950 -1.0 2.0
   51    47    49    33   0.27300  1.0 3.0
   51    47    49    50   0.23400  1.0 3.0
   51    47    49    52   3.69350  1.0 1.0
   51    47    49    52  -1.82950 -1.0 2.0
   51    54    55    56   7.00000 -1.0 2.0
   51    54    55    57   7.00000 -1.0 2.0
   51    54    58    59  -0.11900  1.0 1.0
   51    54    58    59   0.76850 -1.0 2.0
   51    54    58    59   0.14100  1.0 3.0
   51    54    58    60  -0.11900  1.0 1.0
   51    54    58    60   0.76850 -1.0 2.0
   51    54    58    60   0.14100  1.0 3.0
   55    54    58    59  -0.04000 -1.0 2.0
   55    54    58    59  -0.29050  1.0 3.0
   55    54    58    60  -0.04000 -1.0 2.0
   55    54    58    60  -0.29050  1.0 3.0
   58    54    55    56   7.00000 -1.0 2.0
   58    54    55    57   7.00000 -1.0 2.0
   44    40    41    42   0.15000  1.0 3.0
   44    40    41    43   0.15000  1.0 3.0
   44    40    41    47   0.09700  1.0 1.0
   44    40    41    47   0.15600 -1.0 2.0
   44    40    41    47  -0.50800  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    40   1.10000 -1.0 2.0
   44    41    40    38   1.10000 -1.0 2.0
   51    58    54    55  15.00000 -1.0 2.0
   56    57    55    54  15.00000 -1.0 2.0
   59    54    58    60  10.50000 -1.0 2.0
   45    40    44    46  10.50000 -1.0 2.0
END
