* LIGAND DATABASE FILE (OPLS2005)
*
001      53    53     89    138     262
    1     0 S   NP   _N1_     1    28.87751    96.10001   -24.27636
    2     1 S   H    _HN1     2     1.02945    73.58848    -1.60108
    3     1 S   H    _H1_     3     1.02823    33.85902   170.18316
    4     1 S   H    _H2_     4     1.02796   114.91014  -104.63981
    5     1 S   CT   _CA1     5     1.50143   128.30070   101.72712
    6     5 S   HC   _HA1     6     1.09573   105.15292    92.96098
    7     5 S   CO3  _C1_     7     1.53762   112.39767   -27.25346
    8     7 S   O2Z  _O11     8     1.26383   114.99742   -43.44521
    9     7 S   O2Z  _O12     9     1.26225   114.94013   135.45171
   10     5 S   CT   _CB1    10     1.53042   107.38285  -149.07352
   11    10 S   HC   HB11    11     1.09847   109.34104   -48.99344
   12    10 S   HC   HB12    12     1.09810   110.47987    67.58890
   13    10 S   CT   _CG1    13     1.53041   112.66492  -169.89088
   14    13 S   HC   HG11    14     1.09562   110.79925   -67.71308
   15    13 S   HC   HG12    15     1.09663   109.66766    51.55772
   16    13 S   C    _CD1    16     1.51818   111.77349   172.09562
   17    16 S   O    _OE1    17     1.22777   123.09680    15.64586
   18    16 S   N    _N2_    18     1.38620   111.99311  -164.45727
   19    18 S   H    _HN2    19     1.01607   119.02648     0.63366
   20    18 S   CT1  _CA2    20     1.46228   123.33161   176.31953
   21    20 S   HC   _HA2    21     1.09736   109.27962     8.69357
   22    20 S   C    _C2_    22     1.53669   108.96082  -106.89128
   23    22 S   O    _O2_    23     1.23089   122.19095  -148.81538
   24    20 S   CT   _CB2    32     1.53236   111.56073   130.64589
   25    24 S   HC   HB21    33     1.09548   109.96774    57.57223
   26    24 S   HC   HB22    34     1.09564   110.35334   176.07414
   27    22 S   N    _N3_    24     1.38305   113.92334    38.71884
   28    27 S   H    _HN3    25     1.01534   119.65428    -3.17200
   29    24 S   S    _SG2    35     1.82876   111.49536   -64.04420
   30    27 S   CT   _CA3    26     1.45275   123.26754   177.23473
   31    30 S   HC   HA31    27     1.09547   107.53044   -64.53971
   32    30 S   HC   HA32    28     1.09556   107.97431    51.91029
   33    29 S   CA   _C8_    36     1.80108    98.96698   178.51549
   34    30 S   CO3  _C3_    29     1.52975   114.05711   173.93137
   35    34 S   O2Z  _O31    30     1.26385   116.10436     0.59050
   36    34 S   O2Z  _O32    31     1.26428   114.41002  -179.37662
   37    33 S   CA   _C7_    37     1.41853   121.64702   -76.32742
   38    37 S   CA   _C6_    38     1.41353   119.26964   176.67810
   39    37 S   CO3  _C10    51     1.50465   121.92322    -4.19783
   40    39 S   O2Z  _O36    52     1.26973   116.01450   126.62931
   41    39 S   O2Z  _O35    53     1.26801   117.35485   -55.48109
   42    38 S   CA   _C5_    39     1.39809   120.14949     2.13515
   43    38 S   OH   _O37    49     1.37132   121.31663  -179.11265
   44    43 S   HO   _H4_    50     0.97463   109.10510    14.59870
   45    42 S   CA   _C4_    40     1.38960   121.83981    -0.41449
   46    45 S   HA   _H3_    41     1.08686   121.30039  -179.97202
   47    42 S   NO2  _N5_    46     1.44615   120.31904   179.69933
   48    47 S   ON   _O39    47     1.23807   116.92128  -119.90177
   49    47 S   ON   _O38    48     1.23779   117.30357    61.31298
   50    33 S   CA   _C9_    42     1.41104   120.34955   102.77157
   51    50 S   NO2  _N4_    43     1.44457   120.79338     1.36013
   52    51 S   ON   _O34    44     1.23754   116.86866   -89.28180
   53    51 S   ON   _O33    45     1.23735   116.87772    91.83575
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   7   5   4   3
  13   2   1   1  11  12   5   1   1   9   3   1   8   3   3   1
   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    50    51    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    45    46    50    51    52    53    43    39    40    41  
   35    36  
   36  
    0  
   38    42    45    50    51    47    43    44    39    40    41  
   42    45    46    50    47    48    49    43    44    39    40    41  
   40    41    42    43    50  
   41  
    0  
   45    46    50    51    47    48    49    43    44  
   44    45    47  
    0  
   46    50    51    52    53    47    48    49  
   50    51    47  
   48    49    50  
   49  
    0  
   51    52    53  
   52    53  
   53  
    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  -0.320000   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   3.5500   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   39   3.7500   0.1050   0.715000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   42   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   48   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   49   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   50   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   52   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   53   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   250.000  1.760
   33    37   469.000  1.400
   33    50   469.000  1.400
   37    38   469.000  1.400
   37    39   400.000  1.490
   38    42   469.000  1.400
   38    43   450.000  1.364
   42    45   469.000  1.400
   42    47   400.000  1.460
   45    46   367.000  1.080
   45    50   469.000  1.400
   50    51   400.000  1.460
   51    52   550.000  1.225
   51    53   550.000  1.225
   47    48   550.000  1.225
   47    49   550.000  1.225
   43    44   553.000  0.945
   39    40   656.000  1.250
   39    41   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000  104.20000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    85.00000  119.40000
   29    33    50    85.00000  119.40000
   33    37    38    63.00000  120.00000
   33    37    39    85.00000  120.00000
   33    50    45    63.00000  120.00000
   33    50    51    85.00000  120.00000
   37    38    42    63.00000  120.00000
   37    38    43    70.00000  120.00000
   37    39    40    80.00000  120.40000
   37    39    41    80.00000  120.40000
   38    42    45    63.00000  120.00000
   38    42    47    85.00000  120.00000
   38    43    44    35.00000  113.00000
   42    45    46    35.00000  120.00000
   42    45    50    63.00000  120.00000
   42    47    48    80.00000  117.50000
   42    47    49    80.00000  117.50000
   45    50    51    85.00000  120.00000
   50    33    37    63.00000  120.00000
   50    45    46    35.00000  120.00000
   50    51    52    80.00000  117.50000
   50    51    53    80.00000  117.50000
   53    51    52    80.00000  125.30000
   47    42    45    85.00000  120.00000
   49    47    48    80.00000  125.30000
   43    38    42    70.00000  120.00000
   39    37    38    85.00000  120.00000
   41    39    40    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  -0.35400  1.0 1.0
   20    24    29    33  -0.24450 -1.0 2.0
   20    24    29    33   0.44000  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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.63250 -1.0 2.0
   24    29    33    50   0.63250 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   3.62500 -1.0 2.0
   29    33    37    39   3.62500 -1.0 2.0
   29    33    50    45   3.62500 -1.0 2.0
   29    33    50    51   3.62500 -1.0 2.0
   33    37    38    42   3.62500 -1.0 2.0
   33    37    38    43   3.62500 -1.0 2.0
   33    37    39    40   1.05000 -1.0 2.0
   33    37    39    41   1.05000 -1.0 2.0
   33    50    51    52   0.69950 -1.0 2.0
   33    50    51    53   0.69950 -1.0 2.0
   37    33    50    45   3.62500 -1.0 2.0
   37    33    50    51   3.62500 -1.0 2.0
   37    38   -42    45   3.62500 -1.0 2.0
   37    38    42    47   3.62500 -1.0 2.0
   37    38    43    44   0.84100 -1.0 2.0
   38    37    39    40   1.05000 -1.0 2.0
   38    37    39    41   1.05000 -1.0 2.0
   38    42    45    46   3.62500 -1.0 2.0
   38    42    45    50   3.62500 -1.0 2.0
   38    42    47    48   0.69950 -1.0 2.0
   38    42    47    49   0.69950 -1.0 2.0
   42    38    43    44   0.84100 -1.0 2.0
   42    45   -50    33   3.62500 -1.0 2.0
   42    45    50    51   3.62500 -1.0 2.0
   45    42    47    48   0.69950 -1.0 2.0
   45    42    47    49   0.69950 -1.0 2.0
   45    50    51    52   0.69950 -1.0 2.0
   45    50    51    53   0.69950 -1.0 2.0
   46    45    50    33   3.62500 -1.0 2.0
   46    45    50    51   3.62500 -1.0 2.0
   50    33   -37    38   3.62500 -1.0 2.0
   50    33    37    39   3.62500 -1.0 2.0
   47    42    45    46   3.62500 -1.0 2.0
   47    42    45    50   3.62500 -1.0 2.0
   43    38    42    45   3.62500 -1.0 2.0
   43    38    42    47   3.62500 -1.0 2.0
   39    37    38    42   3.62500 -1.0 2.0
   39    37    38    43   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
   35    30    34    36  10.50000 -1.0 2.0
   37    50    33    29   4.00000 -1.0 2.0
   38    39    37    33   4.00000 -1.0 2.0
   42    43    38    37   4.00000 -1.0 2.0
   45    47    42    38   4.00000 -1.0 2.0
   50    46    45    42   1.10000 -1.0 2.0
   45    51    50    33   4.00000 -1.0 2.0
   52    50    51    53  10.50000 -1.0 2.0
   48    42    47    49  10.50000 -1.0 2.0
   40    37    39    41  10.50000 -1.0 2.0
END
