* LIGAND DATABASE FILE (OPLS2005)
*
001      51    52     90    137     258
    1     0 S   NP   _N1_     1    28.85366    96.51891   -24.06030
    2     1 S   H    _HN1     2     1.02948    70.81237     6.05887
    3     1 S   H    _H1_     3     1.02827    37.36068   171.58978
    4     1 S   H    _H2_     4     1.02791   111.46771   -96.75632
    5     1 S   CT   _CA1     5     1.50116   132.90738   106.47416
    6     5 S   HC   _HA1     6     1.09573   105.17764    95.29240
    7     5 S   CO3  _C1_     7     1.53774   112.49430   -24.93338
    8     7 S   O2Z  _O11     8     1.26373   115.00605   -42.08443
    9     7 S   O2Z  _O12     9     1.26239   114.94292   137.02454
   10     5 S   CT   _CB1    10     1.53072   107.41795  -146.72355
   11    10 S   HC   HB11    11     1.09837   109.33947   -49.55739
   12    10 S   HC   HB12    12     1.09811   110.46344    67.04197
   13    10 S   CT   _CG1    13     1.53009   112.62992  -170.51353
   14    13 S   HC   HG11    14     1.09573   110.69146   -66.76834
   15    13 S   HC   HG12    15     1.09671   109.72669    52.47387
   16    13 S   C    _CD1    16     1.51805   112.10976   172.94286
   17    16 S   O    _OE1    17     1.22742   123.23053    10.09327
   18    16 S   N    _N2_    18     1.38660   111.76029  -169.90899
   19    18 S   H    _HN2    19     1.01575   118.93980     1.52393
   20    18 S   CT1  _CA2    20     1.46223   123.39593   176.83752
   21    20 S   HC   _HA2    21     1.09737   109.30262     6.65932
   22    20 S   C    _C2_    22     1.53652   108.72773  -108.84398
   23    22 S   O    _O2_    23     1.23072   122.27116  -148.01488
   24    20 S   CT   _CB2    32     1.53305   111.61822   128.65719
   25    24 S   HC   HB21    33     1.09586   110.14458    56.61442
   26    24 S   HC   HB22    34     1.09515   110.14710   175.66686
   27    22 S   N    _N3_    24     1.38322   113.82366    39.43166
   28    27 S   H    _HN3    25     1.01552   119.62885    -3.06024
   29    24 S   S    _SG2    35     1.82490   111.68969   -64.38694
   30    27 S   CT   _CA3    26     1.45293   123.26922   177.24608
   31    30 S   HC   HA31    27     1.09547   107.49575   -65.22462
   32    30 S   HC   HA32    28     1.09555   108.01633    51.23782
   33    29 S   CT   _C11    36     1.82227    98.67605   179.67979
   34    33 S   F    F1__    37     1.36434   109.09681   -57.09015
   35    33 S   F    F2__    38     1.36424   109.11772    57.63375
   36    30 S   CO3  _C3_    29     1.52974   114.03839   173.25169
   37    36 S   O2Z  _O31    30     1.26383   116.06513    -0.47970
   38    36 S   O2Z  _O32    31     1.26423   114.42374   179.58175
   39    33 S   CA5  _C10    39     1.48173   110.50683  -179.73830
   40    39 S   N5B  _N5_    40     1.34815   124.88392    91.32062
   41    40 S   CA   _C4_    41     1.36113   108.02575   179.93744
   42    41 S   CA   _C5_    42     1.42242   106.85778    -0.27625
   43    42 S   CA   _C6_    43     1.40498   121.19250  -179.97202
   44    43 S   Cl   Cl4_    44     1.72780   119.41320  -180.00000
   45    39 S   NB   _N4_    51     1.34819   124.88216   -89.29175
   46    43 S   CA   _C7_    45     1.40574   117.48571    -0.00000
   47    46 S   Cl   Cl3_    46     1.74441   118.84411  -179.98022
   48    46 S   CA   _C8_    47     1.41615   121.32222     0.00000
   49    48 S   Cl   Cl2_    48     1.74441   119.83350   180.00000
   50    41 S   CA   _C9_    49     1.40498   131.95130   179.73166
   51    50 S   Cl   Cl1_    50     1.72779   119.41315    -0.00000
  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   6   5   4   3
   7   4   3   2   1   1   6   7   9   8   7   4   2   5   3   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    45  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45  
   35    39    40    45  
   39    40    45  
   37    38  
   38  
    0  
   40    41    42    43    50    45  
   41    42    43    48    50    51    45  
   42    43    44    46    48    49    50    51    45  
   43    44    46    47    48    50    51    45  
   44    46    47    48    49    50    45  
   46    47    48    45  
   46    50  
   47    48    49    50    51  
   48    49    50  
   49    50    51  
   50    51  
   51  
    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   3.2500   0.0620   0.407500   2.4950   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0700   0.340000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.2500   0.1700  -1.000000   1.8650   1.6500   0.001000000  -0.511443539
   41   3.5500   0.0700   0.250000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700   0.250000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   45   3.2500   0.1700  -1.000000   1.8375   1.6250   0.005000000   0.000000000
   46   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   48   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   50   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   525.000  1.333
   39    45   470.000  1.355
   40    41   465.000  1.355
   41    42   469.000  1.400
   41    50   469.000  1.400
   42    43   469.000  1.400
   42    45   483.000  1.339
   43    44   300.000  1.725
   43    46   469.000  1.400
   46    47   300.000  1.725
   46    48   469.000  1.400
   48    49   300.000  1.725
   48    50   469.000  1.400
   50    51   300.000  1.725
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    60.00000  130.00000
   33    39    45    60.00000  130.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41   100.00000  105.56000
   39    45    42    70.00000  125.10000
   40    41    42    70.00000  122.23000
   40    41    50    70.00000  122.23000
   41    42    43    63.00000  120.00000
   41    42    45    70.00000  124.00000
   41    50    48    63.00000  120.00000
   41    50    51    75.00000  120.00000
   42    43    44    75.00000  120.00000
   42    43    46    63.00000  120.00000
   43    46    47    75.00000  120.00000
   43    46    48    63.00000  120.00000
   46    43    44    75.00000  120.00000
   46    48    49    75.00000  120.00000
   46    48    50    63.00000  120.00000
   48    46    47    75.00000  120.00000
   48    50    51    75.00000  120.00000
   50    41    42    63.00000  120.00000
   50    48    49    75.00000  120.00000
   45    39    40    70.00000  120.00000
   45    42    43    70.00000  124.00000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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    39    40   0.04300 -1.0 2.0
   29    33    39    45   0.04300 -1.0 2.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    45    42   3.62500 -1.0 2.0
   34    33    39    40   0.21350  1.0 3.0
   34    33    39    45   0.21350  1.0 3.0
   35    33    39    40   0.21350  1.0 3.0
   35    33    39    45   0.21350  1.0 3.0
   39    40   -41    42   3.62500 -1.0 2.0
   39    40    41    50   3.62500 -1.0 2.0
   40    39   -45    42   3.62500 -1.0 2.0
   40    41    42    43   3.62500 -1.0 2.0
   40    41   -42    45   3.62500 -1.0 2.0
   40    41    50    48   3.62500 -1.0 2.0
   40    41    50    51   3.62500 -1.0 2.0
   41    42    43    44   3.62500 -1.0 2.0
   41    42    43    46   3.62500 -1.0 2.0
   41    42   -45    39   3.62500 -1.0 2.0
   42    41    50    48   3.62500 -1.0 2.0
   42    41    50    51   3.62500 -1.0 2.0
   42    43    46    47   3.62500 -1.0 2.0
   42    43   -46    48   3.62500 -1.0 2.0
   43    42    45    39   3.62500 -1.0 2.0
   43    46    48    49   3.62500 -1.0 2.0
   43    46    48    50   3.62500 -1.0 2.0
   44    43    46    47   3.62500 -1.0 2.0
   44    43    46    48   3.62500 -1.0 2.0
   46    48   -50    41   3.62500 -1.0 2.0
   46    48    50    51   3.62500 -1.0 2.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    50   3.62500 -1.0 2.0
   49    48    50    41   3.62500 -1.0 2.0
   49    48    50    51   3.62500 -1.0 2.0
   50    41   -42    43   3.62500 -1.0 2.0
   50    41    42    45   3.62500 -1.0 2.0
   45    39   -40    41   3.62500 -1.0 2.0
   45    42    43    44   3.62500 -1.0 2.0
   45    42    43    46   3.62500 -1.0 2.0
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
   37    30    36    38  10.50000 -1.0 2.0
   40    45    39    33   4.00000 -1.0 2.0
   42    50    41    40   4.00000 -1.0 2.0
   43    45    42    41   4.00000 -1.0 2.0
   46    44    43    42   4.00000 -1.0 2.0
   48    47    46    43   4.00000 -1.0 2.0
   50    49    48    46   4.00000 -1.0 2.0
   48    51    50    41   4.00000 -1.0 2.0
END
