* LIGAND DATABASE FILE (OPLS2005)
*
001      52    52     88    136     258
    1     0 S   NP   _N1_     1    28.89486    95.73519   -21.88937
    2     1 S   H    _HN1     2     1.02951    77.63661    11.70621
    3     1 S   H    _H1_     3     1.02827    38.41892   151.20731
    4     1 S   H    _H2_     4     1.02781    94.96037   -96.03107
    5     1 S   CT   _CA1     5     1.50123   146.09310   119.96530
    6     5 S   HC   _HA1     6     1.09576   105.19638    79.38213
    7     5 S   CO3  _C1_     7     1.53795   112.37800   -40.81961
    8     7 S   O2Z  _O11     8     1.26374   114.98916   -43.67083
    9     7 S   O2Z  _O12     9     1.26236   114.93911   135.33782
   10     5 S   CT   _CB1    10     1.53078   107.40988  -162.68023
   11    10 S   HC   HB11    11     1.09831   109.37466   -49.89983
   12    10 S   HC   HB12    12     1.09814   110.45350    66.71044
   13    10 S   CT   _CG1    13     1.52973   112.59453  -170.89612
   14    13 S   HC   HG11    14     1.09587   110.55533   -65.17467
   15    13 S   HC   HG12    15     1.09667   109.85336    54.03669
   16    13 S   C    _CD1    16     1.51808   112.26051   174.47472
   17    16 S   O    _OE1    17     1.22723   123.34303     4.90057
   18    16 S   N    _N2_    18     1.38595   111.62637  -175.31985
   19    18 S   H    _HN2    19     1.01639   118.86929     1.27779
   20    18 S   CT1  _CA2    20     1.46232   123.51458   178.77891
   21    20 S   HC   _HA2    21     1.09725   109.47112    -1.46246
   22    20 S   C    _C2_    22     1.53421   108.53272  -117.10171
   23    22 S   O    _O2_    23     1.23043   122.29404  -147.49167
   24    20 S   CT   _CB2    32     1.53219   111.15119   120.59279
   25    24 S   HC   HB21    33     1.09616   109.74100    56.22037
   26    24 S   HC   HB22    34     1.09512   110.86386   174.59220
   27    22 S   N    _N3_    24     1.38338   113.60153    39.98512
   28    27 S   H    _HN3    25     1.01613   119.55302    -3.68536
   29    24 S   S    _SG2    35     1.83061   111.24993   -65.83690
   30    27 S   CT   _CA3    26     1.45286   123.15135   176.99723
   31    30 S   HC   HA31    27     1.09552   107.53823   -63.48052
   32    30 S   HC   HA32    28     1.09558   107.93648    52.93125
   33    29 S   CA   _C8_    36     1.79068    99.16849   151.56184
   34    30 S   CO3  _C3_    29     1.52944   114.12307   174.89021
   35    34 S   O2Z  _O31    30     1.26370   116.06623    -1.12152
   36    34 S   O2Z  _O32    31     1.26433   114.40969   178.93101
   37    33 S   CA   _C9_    37     1.40473   122.34603    91.63868
   38    37 S   CA   _C4_    38     1.40209   123.16201   179.76677
   39    38 S   HA   _H3_    39     1.08757   120.14787  -179.77358
   40    37 S   NO2  _N4_    50     1.44403   120.61408    -0.11191
   41    40 S   ON   _O34    51     1.23712   116.81321   -91.78922
   42    40 S   ON   _O33    52     1.23708   116.85834    89.11280
   43    38 S   CA   _C5_    40     1.39718   118.42416    -0.23739
   44    43 S   CA   _C6_    41     1.39700   121.07728    -0.10087
   45    44 S   HA   _H4_    42     1.08752   121.46385   179.82196
   46    43 S   NO2  _N6_    47     1.45907   119.45361  -180.00000
   47    46 S   ON   _O38    48     1.23831   117.63053   -21.50554
   48    46 S   ON   _O37    49     1.23830   117.63829   158.51685
   49    33 S   CA   _C7_    43     1.40628   121.88122   -89.17610
   50    49 S   NO2  _N5_    44     1.44512   120.57647     0.38052
   51    50 S   ON   _O36    45     1.23687   116.86106   -88.80543
   52    50 S   ON   _O35    46     1.23747   116.81955    91.85935
  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  10  11   4   4   1   1   7   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    49    50    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    49    50    51    52    40    41    42  
   35    36  
   36  
    0  
   38    39    43    44    49    50    46    40    41    42  
   39    43    44    45    49    46    47    48    40    41    42  
   43    44    46    40  
   41    42    43    49  
   42  
    0  
   44    45    49    50    46    47    48  
   45    49    50    51    52    46    47    48  
   49    50    46  
   47    48    49  
   48  
    0  
   50    51    52  
   51    52  
   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  -0.320000   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   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   39   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   40   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   41   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   42   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   43   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   47   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   48   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   49   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   51   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   52   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    49   469.000  1.400
   37    38   469.000  1.400
   37    40   400.000  1.460
   38    39   367.000  1.080
   38    43   469.000  1.400
   43    44   469.000  1.400
   43    46   400.000  1.460
   44    45   367.000  1.080
   44    49   469.000  1.400
   49    50   400.000  1.460
   50    51   550.000  1.225
   50    52   550.000  1.225
   46    47   550.000  1.225
   46    48   550.000  1.225
   40    41   550.000  1.225
   40    42   550.000  1.225
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    49    85.00000  119.40000
   33    37    38    63.00000  120.00000
   33    37    40    85.00000  120.00000
   33    49    44    63.00000  120.00000
   33    49    50    85.00000  120.00000
   37    38    39    35.00000  120.00000
   37    38    43    63.00000  120.00000
   37    40    41    80.00000  117.50000
   37    40    42    80.00000  117.50000
   38    43    44    63.00000  120.00000
   38    43    46    85.00000  120.00000
   43    38    39    35.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    49    63.00000  120.00000
   43    46    47    80.00000  117.50000
   43    46    48    80.00000  117.50000
   44    49    50    85.00000  120.00000
   49    33    37    63.00000  120.00000
   49    44    45    35.00000  120.00000
   49    50    51    80.00000  117.50000
   49    50    52    80.00000  117.50000
   52    50    51    80.00000  125.30000
   46    43    44    85.00000  120.00000
   48    46    47    80.00000  125.30000
   40    37    38    85.00000  120.00000
   42    40    41    80.00000  125.30000
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    49   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    40   3.62500 -1.0 2.0
   29    33    49    44   3.62500 -1.0 2.0
   29    33    49    50   3.62500 -1.0 2.0
   33    37    38    39   3.62500 -1.0 2.0
   33    37    38    43   3.62500 -1.0 2.0
   33    37    40    41   0.69950 -1.0 2.0
   33    37    40    42   0.69950 -1.0 2.0
   33    49    50    51   0.69950 -1.0 2.0
   33    49    50    52   0.69950 -1.0 2.0
   37    33    49    44   3.62500 -1.0 2.0
   37    33    49    50   3.62500 -1.0 2.0
   37    38   -43    44   3.62500 -1.0 2.0
   37    38    43    46   3.62500 -1.0 2.0
   38    37    40    41   0.69950 -1.0 2.0
   38    37    40    42   0.69950 -1.0 2.0
   38    43    44    45   3.62500 -1.0 2.0
   38    43    44    49   3.62500 -1.0 2.0
   38    43    46    47   0.69950 -1.0 2.0
   38    43    46    48   0.69950 -1.0 2.0
   39    38    43    44   3.62500 -1.0 2.0
   39    38    43    46   3.62500 -1.0 2.0
   43    44   -49    33   3.62500 -1.0 2.0
   43    44    49    50   3.62500 -1.0 2.0
   44    43    46    47   0.69950 -1.0 2.0
   44    43    46    48   0.69950 -1.0 2.0
   44    49    50    51   0.69950 -1.0 2.0
   44    49    50    52   0.69950 -1.0 2.0
   45    44    49    33   3.62500 -1.0 2.0
   45    44    49    50   3.62500 -1.0 2.0
   49    33   -37    38   3.62500 -1.0 2.0
   49    33    37    40   3.62500 -1.0 2.0
   46    43    44    45   3.62500 -1.0 2.0
   46    43    44    49   3.62500 -1.0 2.0
   40    37    38    39   3.62500 -1.0 2.0
   40    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    49    33    29   4.00000 -1.0 2.0
   38    40    37    33   4.00000 -1.0 2.0
   43    39    38    37   1.10000 -1.0 2.0
   44    46    43    38   4.00000 -1.0 2.0
   49    45    44    43   1.10000 -1.0 2.0
   44    50    49    33   4.00000 -1.0 2.0
   51    49    50    52  10.50000 -1.0 2.0
   47    43    46    48  10.50000 -1.0 2.0
   41    37    40    42  10.50000 -1.0 2.0
END
