* LIGAND DATABASE FILE (OPLS2005)
*
001      59    59    101    158     300
    1     0 S   NP   _N1_     1    28.53325    93.80469   -23.82533
    2     1 S   H    _HN1     2     1.02957    88.68695    11.50191
    3     1 S   H    _H1_     3     1.02835    19.01067   176.74472
    4     1 S   H    _H2_     4     1.02776   110.45063   -97.60302
    5     1 S   CT   _CA1     5     1.50132   123.59532   125.27780
    6     5 S   HC   _HA1     6     1.09575   105.21108    75.00013
    7     5 S   CO3  _C1_     7     1.53782   112.35189   -45.18468
    8     7 S   O2Z  _O11     8     1.26366   114.99576   -44.05101
    9     7 S   O2Z  _O12     9     1.26234   114.92912   135.01940
   10     5 S   CT   _CB1    10     1.53093   107.41791  -167.09723
   11    10 S   HC   HB11    11     1.09828   109.32334   -50.45883
   12    10 S   HC   HB12    12     1.09816   110.43341    66.09340
   13    10 S   CT   _CG1    13     1.53023   112.67832  -171.52300
   14    13 S   HC   HG11    14     1.09592   110.50077   -64.60905
   15    13 S   HC   HG12    15     1.09657   109.90881    54.59731
   16    13 S   C    _CD1    16     1.51845   112.29313   174.96242
   17    16 S   O    _OE1    17     1.22756   123.25825     0.97819
   18    16 S   N    _N2_    18     1.38559   111.72552  -179.00909
   19    18 S   H    _HN2    19     1.01552   119.06503     4.30643
   20    18 S   CT1  _CA2    20     1.45808   122.82995   177.91118
   21    20 S   HC   _HA2    21     1.09575   108.53644    23.92706
   22    20 S   C    _C2_    22     1.52915   107.27743   -92.73796
   23    22 S   O    _O2_    23     1.22945   123.00048   -31.21146
   24    20 S   CT   _CB2    32     1.53247   112.09623   147.29015
   25    24 S   HC   HB21    33     1.09635   110.18713    46.15511
   26    24 S   HC   HB22    34     1.09174   110.80743   163.45310
   27    22 S   N    _N3_    24     1.38595   112.33102   151.62067
   28    27 S   H    _HN3    25     1.01540   119.43617    -5.72752
   29    24 S   S    _SG2    35     1.83063   111.09613   -72.39273
   30    27 S   CT   _CA3    26     1.45335   122.82611   178.38626
   31    30 S   HC   HA31    27     1.09572   108.66629   -42.08108
   32    30 S   HC   HA32    28     1.09562   107.52457    73.91466
   33    29 S   CT   _C10    36     1.91453   102.13402  -113.35705
   34    30 S   CO3  _C3_    29     1.52743   112.47797  -165.15679
   35    34 S   O2Z  _O31    30     1.26411   115.22206   -74.37244
   36    34 S   O2Z  _O32    31     1.26304   115.17388   105.27461
   37    33 S   CA   _C9_    37     1.54694   107.33709    55.82504
   38    33 S   CM   _C13    49     1.52821   105.94773   174.64354
   39    38 S   HC   _H9_    50     1.09184   117.76360    18.75984
   40    33 S   CT   _C11    54     1.55374   107.31884   -68.69017
   41    40 S   HC   _H7_    55     1.09852   109.41690    64.91707
   42    40 S   HC   _H8_    56     1.09979   108.43396   178.58376
   43    37 S   CA   _C4_    38     1.41269   120.13014    63.61287
   44    43 S   HA   _H3_    39     1.08818   120.23475     1.96742
   45    38 S   CMA  _C14    51     1.51844   124.94453  -162.26791
   46    45 S   OM   _O35    52     1.26299   119.17535   155.27396
   47    45 S   OM   _O36    53     1.26192   122.62116   -25.67850
   48    40 S   CO3  _C12    57     1.54028   124.24958   -58.63551
   49    48 S   O2Z  _O34    58     1.26800   113.68601   176.14695
   50    48 S   O2Z  _O33    59     1.25948   117.64393    -3.18199
   51    43 S   CA   _C5_    40     1.39665   121.50122  -177.19739
   52    51 S   HA   _H4_    41     1.08578   119.83237   178.82597
   53    51 S   CA   _C6_    42     1.38785   119.48481     0.03956
   54    53 S   CA   _C7_    43     1.39018   120.56792    -1.88502
   55    54 S   HA   _H5_    44     1.08636   120.86780  -179.18243
   56    53 S   OH   _O37    47     1.36584   118.51598   177.14364
   57    56 S   HO   _H10    48     0.97474   107.98025  -162.84015
   58    37 S   CA   _C8_    45     1.40671   122.49752  -115.41912
   59    58 S   HA   _H6_    46     1.08576   121.34880    -2.11267
  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  11   5   4   3
  18   2   1   1  16  10   4   8   4   3   8   4   2   1   1   2
   1   1   7   3   6   5   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    43    58    38    39    45    40    41    42    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    43    44    51    54    58    59    38    39    45    46    47    40    41    42    48    49    50  
   35    36  
   36  
    0  
   43    44    51    52    53    54    55    58    59    38    39    45    40    41    42    48  
   39    45    46    47    40    41    42    48    43    58  
   45    46    47    40  
   41    42    48    49    50    43    45    58  
   42    48    49    50  
   48    49    50  
   44    51    52    53    54    58    59    56  
   51    52    53    58  
   46    47  
   47  
    0  
   49    50  
   50  
    0  
   52    53    54    55    58    56    57  
   53    54    56  
   54    55    58    59    56    57  
   55    58    59    56    57  
   58    59    56  
   57    58  
    0  
   59  
    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   0.282500   1.9750   1.7500   0.005000000  -0.741685710
   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   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   47   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   48   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
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   222.000  1.810
   33    37   317.000  1.510
   33    38   317.000  1.510
   33    40   268.000  1.529
   37    43   469.000  1.400
   37    58   469.000  1.400
   43    44   367.000  1.080
   43    51   469.000  1.400
   51    52   367.000  1.080
   51    53   469.000  1.400
   53    54   469.000  1.400
   53    56   450.000  1.364
   54    55   367.000  1.080
   54    58   469.000  1.400
   58    59   367.000  1.080
   56    57   553.000  0.945
   38    39   340.000  1.080
   38    45   465.000  1.376
   45    46   745.000  1.250
   45    47   745.000  1.250
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    48   317.000  1.522
   48    49   656.000  1.250
   48    50   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   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    37    80.00000  109.48900
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    37    43    70.00000  120.00000
   33    37    58    70.00000  120.00000
   33    38    39    35.00000  117.00000
   33    38    45    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    48    70.00000  109.69300
   37    43    44    35.00000  120.00000
   37    43    51    63.00000  120.00000
   37    58    54    63.00000  120.00000
   37    58    59    35.00000  120.00000
   43    51    52    35.00000  120.00000
   43    51    53    63.00000  120.00000
   51    43    44    35.00000  120.00000
   51    53    54    63.00000  120.00000
   51    53    56    70.00000  120.00000
   53    51    52    35.00000  120.00000
   53    54    55    35.00000  120.00000
   53    54    58    63.00000  120.00000
   53    56    57    35.00000  113.00000
   54    58    59    35.00000  120.00000
   58    37    43    63.00000  120.00000
   58    54    55    35.00000  120.00000
   56    53    54    70.00000  120.00000
   38    33    37    70.00000  112.99600
   38    45    46    65.00000  137.10300
   38    45    47    65.00000  137.10300
   45    38    39    40.00000  120.50800
   47    45    46    65.00000  121.00000
   40    33    37    70.00000  112.17500
   40    33    38    70.00000  112.02700
   40    48    49    70.00000  117.00000
   40    48    50    70.00000  117.00000
   42    40    41    33.00000  107.80000
   48    40    41    35.00000  109.50000
   48    40    42    35.00000  109.50000
   50    48    49    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    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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    37    43  -0.16000  1.0 1.0
   29    33    37    43  -0.03200 -1.0 2.0
   29    33    37    43   0.04500  1.0 3.0
   29    33    37    58  -0.16000  1.0 1.0
   29    33    37    58  -0.03200 -1.0 2.0
   29    33    37    58   0.04500  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    45   0.42700  1.0 1.0
   29    33    38    45  -0.70350 -1.0 2.0
   29    33    38    45  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    48   0.56750  1.0 1.0
   29    33    40    48  -0.07550 -1.0 2.0
   29    33    40    48   0.20000  1.0 3.0
   33    37    43    44   3.62500 -1.0 2.0
   33    37    43    51   3.62500 -1.0 2.0
   33    37    58    54   3.62500 -1.0 2.0
   33    37    58    59   3.62500 -1.0 2.0
   33    38    45    46   7.00000 -1.0 2.0
   33    38    45    47   7.00000 -1.0 2.0
   33    40    48    49   0.41150 -1.0 2.0
   33    40    48    50   0.41150 -1.0 2.0
   37    33    38    39   0.00000  1.0 1.0
   37    33    38    45   1.44450  1.0 1.0
   37    33    38    45   0.06600 -1.0 2.0
   37    33    38    45   0.29250  1.0 3.0
   37    33    40    41   0.43200  1.0 3.0
   37    33    40    42   0.43200  1.0 3.0
   37    33    40    48  -2.95950  1.0 1.0
   37    33    40    48   0.02300  1.0 3.0
   37    43    51    52   3.62500 -1.0 2.0
   37    43    51    53   3.62500 -1.0 2.0
   43    37    58    54   3.62500 -1.0 2.0
   43    37    58    59   3.62500 -1.0 2.0
   43    51   -53    54   3.62500 -1.0 2.0
   43    51    53    56   3.62500 -1.0 2.0
   44    43    51    52   3.62500 -1.0 2.0
   44    43    51    53   3.62500 -1.0 2.0
   51    53    54    55   3.62500 -1.0 2.0
   51    53    54    58   3.62500 -1.0 2.0
   51    53    56    57   0.84100 -1.0 2.0
   52    51    53    54   3.62500 -1.0 2.0
   52    51    53    56   3.62500 -1.0 2.0
   53    54   -58    37   3.62500 -1.0 2.0
   53    54    58    59   3.62500 -1.0 2.0
   54    53    56    57   0.84100 -1.0 2.0
   55    54    58    37   3.62500 -1.0 2.0
   55    54    58    59   3.62500 -1.0 2.0
   58    37    43    44   3.62500 -1.0 2.0
   58    37   -43    51   3.62500 -1.0 2.0
   56    53    54    55   3.62500 -1.0 2.0
   56    53    54    58   3.62500 -1.0 2.0
   38    33    37    43   0.18050 -1.0 2.0
   38    33    37    58   0.18050 -1.0 2.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    48  -0.98800  1.0 1.0
   38    33    40    48   0.48800 -1.0 2.0
   38    33    40    48   0.76800  1.0 3.0
   39    38    45    46   7.00000 -1.0 2.0
   39    38    45    47   7.00000 -1.0 2.0
   40    33    37    43   0.04150 -1.0 2.0
   40    33    37    58   0.04150 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    45   0.09850  1.0 1.0
   40    33    38    45   0.15250 -1.0 2.0
   40    33    38    45  -0.50650  1.0 3.0
   41    40    48    49   0.00000  1.0 1.0
   41    40    48    50   0.00000  1.0 1.0
   42    40    48    49   0.00000  1.0 1.0
   42    40    48    50   0.00000  1.0 1.0
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
   43    58    37    33   4.00000 -1.0 2.0
   51    44    43    37   1.10000 -1.0 2.0
   53    52    51    43   1.10000 -1.0 2.0
   54    56    53    51   4.00000 -1.0 2.0
   58    55    54    53   1.10000 -1.0 2.0
   54    59    58    37   1.10000 -1.0 2.0
   33    39    38    45  15.00000 -1.0 2.0
   46    47    45    38  15.00000 -1.0 2.0
   49    40    48    50  10.50000 -1.0 2.0
END
