* LIGAND DATABASE FILE (OPLS2005)
*
001      52    51     87    128     256
    1     0 S   NP   _N1_     1    28.80803    94.65698   -22.71266
    2     1 S   H    _HN1     2     1.02959    84.34460    17.92871
    3     1 S   H    _H1_     3     1.02835    27.91343   162.63152
    4     1 S   H    _H2_     4     1.02780   100.93764   -89.68078
    5     1 S   CT   _CA1     5     1.50115   135.81819   131.54273
    6     5 S   HC   _HA1     6     1.09575   105.23180    74.11830
    7     5 S   CO3  _C1_     7     1.53778   112.40695   -46.10497
    8     7 S   O2Z  _O11     8     1.26359   115.00608   -43.74531
    9     7 S   O2Z  _O12     9     1.26239   114.91630   135.45274
   10     5 S   CT   _CB1    10     1.53088   107.42986  -167.96853
   11    10 S   HC   HB11    11     1.09826   109.31626   -50.80907
   12    10 S   HC   HB12    12     1.09821   110.42042    65.72853
   13    10 S   CT   _CG1    13     1.53019   112.69481  -171.91192
   14    13 S   HC   HG11    14     1.09592   110.46611   -64.11182
   15    13 S   HC   HG12    15     1.09652   109.98003    55.13974
   16    13 S   C    _CD1    16     1.51796   112.27329   175.47632
   17    16 S   O    _OE1    17     1.22715   123.25204    -1.29089
   18    16 S   N    _N2_    18     1.38634   111.70344   178.86581
   19    18 S   H    _HN2    19     1.01592   119.01817     1.33618
   20    18 S   CT1  _CA2    20     1.46070   123.35263   179.57664
   21    20 S   HC   _HA2    21     1.09559   109.37092    -5.54715
   22    20 S   C    _C2_    22     1.53497   108.85370  -120.69093
   23    22 S   O    _O2_    23     1.23042   122.02636  -148.06370
   24    20 S   CT   _CB2    32     1.53337   111.61031   116.92813
   25    24 S   HC   HB21    33     1.09690   109.30458    60.56447
   26    24 S   HC   HB22    34     1.09444   111.21734   177.17673
   27    22 S   N    _N3_    24     1.38442   113.59352    39.51536
   28    27 S   H    _HN3    25     1.01504   118.98039    -0.84719
   29    24 S   S    _SG2    35     1.82997   115.01949   -58.71608
   30    27 S   CT   _CA3    26     1.45452   123.48560   174.72887
   31    30 S   HC   HA31    27     1.09517   109.32526    23.41438
   32    30 S   HC   HA32    28     1.09497   107.12935   140.45539
   33    29 S   CT   _C7_    36     1.83491   101.54454   -63.68824
   34    33 S   HC   _H3_    37     1.09383   108.55561    58.88030
   35    30 S   CO3  _C3_    29     1.52916   112.93666  -100.09030
   36    35 S   O2Z  _O31    30     1.26412   115.32698   -46.26687
   37    35 S   O2Z  _O32    31     1.26338   115.02992   134.57366
   38    33 S   CT   _C6_    38     1.53231   113.91385   -62.51614
   39    38 S   HC   _H12    39     1.09616   110.21743    67.51512
   40    38 S   HC   _H13    40     1.09705   110.84265  -176.17449
   41    33 S   N    _N6_    46     1.45526   107.43172   173.50713
   42    41 S   H    _H17    47     1.01341   117.69153    25.92513
   43    38 S   CO4  _C4_    41     1.51344   113.71576   -55.99413
   44    43 S   O    _O7_    42     1.22437   124.16874   -60.52246
   45    41 S   C    _C5_    48     1.38237   123.33511  -156.01469
   46    45 S   O    _O8_    49     1.22848   125.04681     0.44102
   47    43 S   OS   _O10    43     1.36690   109.78073   119.26309
   48    45 S   N    _N5_    50     1.37690   112.21807  -179.54933
   49    48 S   H    _H15    51     1.01289   122.05009     0.17583
   50    48 S   H    _H16    52     1.01361   120.48133  -180.00000
   51    47 S   OH   _O9_    44     1.45540   106.84144   179.20969
   52    51 S   HO   _H18    45     0.97283    96.10929    95.86543
  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
  12   7   2   1   1   9   5   4   7   3   4   2   4   3   2   2
   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    47    41    42    45    46    48  
   38    39    40    43    41    42    45  
   36    37  
   37  
    0  
   39    40    43    44    47    51    41    42    45  
   40    43    44    47    41  
   43    44    47    41  
   42    45    46    48    49    50    43  
   45    46    48  
   44    47    51    52  
   47    51  
   46    48    49    50  
   48    49    50  
   51    52  
   49    50  
   50  
    0  
   52  
    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   0.259500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.3810   1.2100   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.2500   0.1700  -0.518100   1.8100   1.6000   0.054801302  -1.445846770
   42   0.5000   0.0300   0.291200   1.5900   1.4000   0.030040813  -0.651083722
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.7500   0.1050   0.822000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.616300   1.8100   1.6000   0.001000000  -1.480495490
   47   3.0000   0.1700  -0.080000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.2500   0.1700  -0.959200   1.8100   1.6000   0.054801302  -1.445846770
   49   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   50   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   51   3.1200   0.1700  -0.418000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   337.000  1.449
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   317.000  1.522
   43    44   570.000  1.229
   43    47   214.000  1.327
   47    51   295.000  1.451
   51    52   553.000  0.945
   41    42   434.000  1.010
   41    45   490.000  1.335
   45    46   570.000  1.229
   45    48   490.000  1.335
   48    49   434.000  1.010
   48    50   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    80.00000  108.62000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    63.00000  111.10000
   33    41    42    38.00000  118.40000
   33    41    45    50.00000  121.90000
   38    33    34    37.50000  110.70000
   38    43    44    80.00000  120.40000
   38    43    47    81.00000  111.40000
   40    38    39    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    35.00000  109.50000
   43    47    51   120.00000  111.60000
   47    43    44    83.00000  123.40000
   47    51    52    90.00000  100.86400
   41    33    34    35.00000  109.50000
   41    33    38    70.00000  110.72300
   41    45    46    80.00000  122.90000
   41    45    48    90.00000  111.91700
   45    41    42    35.00000  119.80000
   45    48    49    35.00000  119.80000
   45    48    50    35.00000  119.80000
   48    45    46    80.00000  122.90000
   50    48    49    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    41    42   0.00000  1.0 1.0
   29    33    41    45  -0.42300  1.0 1.0
   29    33    41    45  -0.07000 -1.0 2.0
   29    33    41    45   0.04150  1.0 3.0
   33    38    43    44   0.30150 -1.0 2.0
   33    38    43    47   0.36750  1.0 3.0
   33    41    45    46   3.04450 -1.0 2.0
   33    41    45    48   4.56800  1.0 1.0
   33    41    45    48   0.31650 -1.0 2.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43  -0.11250  1.0 3.0
   34    33    41    42   0.00000  1.0 1.0
   34    33    41    45   0.00000  1.0 1.0
   38    33    41    42   0.00000  1.0 1.0
   38    33    41    45  -0.43950  1.0 1.0
   38    33    41    45  -0.08100 -1.0 2.0
   38    33    41    45   0.03350  1.0 3.0
   38    43    47    51   2.00000 -1.0 2.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    47   0.00000  1.0 1.0
   40    38    43    44   0.00000  1.0 1.0
   40    38    43    47   0.00000  1.0 1.0
   43    47    51    52  -2.50000 -1.0 2.0
   44    43    47    51   3.00000 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43  -2.10200  1.0 1.0
   41    33    38    43  -0.31600 -1.0 2.0
   41    33    38    43   0.13050  1.0 3.0
   41    45    48    49   2.56700 -1.0 2.0
   41    45    48    50   2.56700 -1.0 2.0
   42    41    45    46   2.45000 -1.0 2.0
   42    41    45    48   2.56700 -1.0 2.0
   46    45    48    49   2.45000 -1.0 2.0
   46    45    48    50   2.45000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   38    47    43    44  10.50000 -1.0 2.0
   42    45    41    33   1.00000 -1.0 2.0
   41    48    45    46  10.50000 -1.0 2.0
   50    45    48    49   1.00000 -1.0 2.0
END
