* LIGAND DATABASE FILE (OPLS2005)
*
001      60    60    109    166     322
    1     0 S   NP   _N1_     1    28.76210    96.07113   -23.94901
    2     1 S   H    _HN1     2     1.02787   108.98608   -92.51567
    3     1 S   H    _H1_     3     1.02949    73.05916    11.58053
    4     1 S   H    _H2_     4     1.02829    35.76772   173.00900
    5     1 S   CT   _CA1     5     1.50110   134.41515   113.81828
    6     5 S   HC   _HA1     6     1.09573   105.19189    91.71315
    7     5 S   CO3  _C1_     7     1.53786   112.47597   -28.52713
    8     7 S   O2Z  _O11     8     1.26372   115.00659   -42.36051
    9     7 S   O2Z  _O12     9     1.26240   114.94762   136.77711
   10     5 S   CT   _CB1    10     1.53079   107.42565  -150.29299
   11    10 S   HC   HB11    11     1.09834   109.37540   -49.61269
   12    10 S   HC   HB12    12     1.09812   110.44851    66.99895
   13    10 S   CT   _CG1    13     1.52994   112.60339  -170.57946
   14    13 S   HC   HG11    14     1.09579   110.65121   -65.85004
   15    13 S   HC   HG12    15     1.09671   109.76505    53.38141
   16    13 S   C    _CD1    16     1.51801   112.20173   173.85178
   17    16 S   O    _OE1    17     1.22732   123.27912     7.95796
   18    16 S   N    _N2_    18     1.38661   111.69642  -172.16268
   19    18 S   H    _HN2    19     1.01582   118.92271     1.74192
   20    18 S   CT1  _CA2    20     1.46202   123.38610   177.17243
   21    20 S   HC   _HA2    21     1.09736   109.35393     3.55457
   22    20 S   C    _C2_    22     1.53575   108.61190  -111.90348
   23    22 S   O    _O2_    23     1.23060   122.27435  -147.88683
   24    20 S   CT   _CB2    32     1.53287   111.62624   125.58904
   25    24 S   HC   HB21    33     1.09653   110.23323    56.38997
   26    24 S   HC   HB22    34     1.09582   110.23703   175.13083
   27    22 S   N    _N3_    24     1.38323   113.72919    39.54983
   28    27 S   H    _HN3    25     1.01577   119.60124    -3.24751
   29    24 S   S    _SG2    35     1.82454   111.69538   -64.79496
   30    27 S   CT   _CA3    26     1.45286   123.23732   177.17478
   31    30 S   HC   HA31    27     1.09548   107.50630   -64.81473
   32    30 S   HC   HA32    28     1.09556   107.99780    51.63542
   33    29 S   CM   _C7_    36     1.73065   100.07734   179.69417
   34    33 S   HC   _H3_    37     1.08535   118.39673     0.15949
   35    30 S   CO3  _C3_    29     1.52966   114.05681   173.63625
   36    35 S   O2Z  _O31    30     1.26379   116.06287    -0.61548
   37    35 S   O2Z  _O32    31     1.26425   114.41529   179.44574
   38    33 S   CM   _C6_    38     1.34096   121.56946  -180.00000
   39    38 S   HC   _H16    39     1.08919   119.82679     0.28531
   40    38 S   CT   _C10    40     1.51232   123.54602   179.86294
   41    40 S   HC   _H22    41     1.09978   108.52455    -4.40607
   42    40 S   CM   _C4_    42     1.52232   114.74441   114.69446
   43    42 S   CT   _C8_    43     1.51591   113.96324   177.32138
   44    43 S   HC   _H18    44     1.09891   107.60777    65.99181
   45    43 S   HC   _H19    45     1.09830   111.04552  -178.65768
   46    42 S   CM   _C5_    58     1.34382   125.81494    -2.97703
   47    46 S   HC   _H14    59     1.08399   122.60159    -0.04423
   48    46 S   HC   _H15    60     1.08567   121.12050  -179.92867
   49    43 S   CT   _C12    46     1.54682   112.70121   -54.70960
   50    49 S   Cl   CL13    47     1.81100   108.30654   -69.02582
   51    49 S   CT   _C11    48     1.55241   109.31857    52.17371
   52    51 S   Cl   CL12    49     1.79496   113.02637  -177.63396
   53    51 S   HC   _H23    50     1.09730   108.44910    66.50767
   54    49 S   CT   _C13    54     1.53616   108.96264   174.52711
   55    54 S   HC   _H24    55     1.09510   112.23260   175.07984
   56    54 S   HC   _H25    56     1.09639   111.21959    54.90028
   57    54 S   HC   _H26    57     1.09588   110.89420   -64.51005
   58    40 S   CT   _C9_    51     1.54149   109.01405  -121.36721
   59    58 S   HC   _H20    52     1.09874   110.16101   -57.11677
   60    58 S   HC   _H21    53     1.09888   109.10343    59.06460
  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   5   5   4   3
   7   3   2   1   1  10   4  15   7  13  15   6   5   4   1   1
  11   8   9   5   4   4   2   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    58  
   38    39    40  
   36    37  
   37  
    0  
   39    40    41    42    43    51    58    59    60    46  
   40    41    42    58  
   41    42    43    44    45    49    51    52    53    58    59    60    46    47    48  
   42    43    51    58    59    60    46  
   43    44    45    49    50    51    58    59    60    54    46    47    48  
   44    45    49    50    51    52    53    58    54    55    56    57    46    47    48  
   45    49    50    51    54    46  
   49    50    51    54    46  
   47    48    49    58  
   48  
    0  
   50    51    52    53    58    59    60    54    55    56    57  
   51    52    53    58    54    55    56    57  
   52    53    58    59    60    54    55    56    57  
   53    58    59    60    54  
   58    59    60    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60  
   60  
    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   3.5500   0.0760  -0.107500   2.0020   1.7750   0.023028004  -0.852763146
   34   2.4200   0.0300   0.115000   1.4250   1.2500   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   3.5500   0.0760  -0.115000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   51   3.5000   0.0660   0.097000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   53   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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    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   240.000  1.763
   33    34   340.000  1.080
   33    38   549.000  1.340
   38    39   340.000  1.080
   38    40   317.000  1.510
   40    41   340.000  1.090
   40    42   317.000  1.510
   40    58   268.000  1.529
   42    43   317.000  1.510
   42    46   549.000  1.340
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    49   268.000  1.529
   49    50   245.000  1.781
   49    51   268.000  1.529
   49    54   268.000  1.529
   51    52   245.000  1.781
   51    53   340.000  1.090
   51    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   46    47   340.000  1.080
   46    48   340.000  1.080
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    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    40.00000  115.49800
   29    33    38    65.00000  122.11800
   33    38    39    35.00000  120.00000
   33    38    40    70.00000  124.00000
   38    33    34    35.00000  120.00000
   38    40    41    35.00000  109.50000
   38    40    42    70.00000  110.12100
   38    40    58    70.00000  112.02700
   40    38    39    35.00000  117.00000
   40    42    43    65.00000  117.92700
   40    42    46    70.00000  124.00000
   40    58    51    58.35000  112.70000
   40    58    59    37.50000  110.70000
   40    58    60    37.50000  110.70000
   42    40    41    35.00000  109.50000
   42    43    44    35.00000  109.50000
   42    43    45    35.00000  109.50000
   42    43    49    70.00000  112.02700
   42    46    47    35.00000  120.00000
   42    46    48    35.00000  120.00000
   43    49    50    69.00000  109.80000
   43    49    51    58.35000  112.70000
   43    49    54    58.35000  112.70000
   45    43    44    33.00000  107.80000
   49    43    44    37.50000  110.70000
   49    43    45    37.50000  110.70000
   49    51    52    69.00000  109.80000
   49    51    53    37.50000  110.70000
   49    51    58    58.35000  112.70000
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    57    37.50000  110.70000
   51    49    50    69.00000  109.80000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   53    51    52    51.00000  107.60000
   58    40    41    37.50000  110.70000
   58    40    42    70.00000  112.02700
   58    51    52    69.00000  109.80000
   58    51    53    37.50000  110.70000
   60    58    59    33.00000  107.80000
   54    49    50    69.00000  109.80000
   54    49    51    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   46    42    43    70.00000  124.00000
   48    46    47    35.00000  117.00000
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   0.00000  1.0 1.0
   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   1.00000 -1.0 2.0
   24    29    33    38   1.00000 -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    38    39   7.00000 -1.0 2.0
   29    33    38    40   7.00000 -1.0 2.0
   33    38    40    41   0.00000  1.0 1.0
   33    38    40    42  -0.28300  1.0 1.0
   33    38    40    42   0.26700 -1.0 2.0
   33    38    40    42  -0.63300  1.0 3.0
   33    38    40    58   0.09850  1.0 1.0
   33    38    40    58   0.15250 -1.0 2.0
   33    38    40    58  -0.50650  1.0 3.0
   34    33    38    39   7.00000 -1.0 2.0
   34    33    38    40   7.00000 -1.0 2.0
   38    40    42    43   0.09700  1.0 1.0
   38    40    42    43   0.15600 -1.0 2.0
   38    40    42    43  -0.50800  1.0 3.0
   38    40    42    46  -0.28300  1.0 1.0
   38    40    42    46   0.26700 -1.0 2.0
   38    40    42    46  -0.63300  1.0 3.0
   38    40    58    51   0.34400  1.0 1.0
   38    40    58    51   0.09450 -1.0 2.0
   38    40    58    51   0.11100  1.0 3.0
   38    40    58    59   0.15000  1.0 3.0
   38    40    58    60   0.15000  1.0 3.0
   39    38    40    41   0.33100  1.0 3.0
   39    38    40    42   0.00000  1.0 1.0
   39    38    40    58   0.00000  1.0 1.0
   40    42    43    44   0.34800  1.0 3.0
   40    42    43    45   0.34800  1.0 3.0
   40    42    43    49   0.46850  1.0 1.0
   40    42    43    49   0.08550 -1.0 2.0
   40    42    43    49   0.09800  1.0 3.0
   40    42    46    47   7.00000 -1.0 2.0
   40    42    46    48   7.00000 -1.0 2.0
   41    40    42    43   0.34800  1.0 3.0
   41    40    42    46   0.00000  1.0 1.0
   41    40    58    51   0.15000  1.0 3.0
   41    40    58    59   0.15000  1.0 3.0
   41    40    58    60   0.15000  1.0 3.0
   42    40    58    51   0.34400  1.0 1.0
   42    40    58    51   0.09450 -1.0 2.0
   42    40    58    51   0.11100  1.0 3.0
   42    40    58    59   0.15000  1.0 3.0
   42    40    58    60   0.15000  1.0 3.0
   42    43    49    50   0.56750  1.0 1.0
   42    43    49    50  -0.07550 -1.0 2.0
   42    43    49    50   0.20000  1.0 3.0
   42    43   -49    51   0.34400  1.0 1.0
   42    43   -49    51   0.09450 -1.0 2.0
   42    43   -49    51   0.11100  1.0 3.0
   42    43    49    54   0.34400  1.0 1.0
   42    43    49    54   0.09450 -1.0 2.0
   42    43    49    54   0.11100  1.0 3.0
   43    42    46    47   7.00000 -1.0 2.0
   43    42    46    48   7.00000 -1.0 2.0
   43    49    51    52   0.35600  1.0 1.0
   43    49    51    52  -0.14650 -1.0 2.0
   43    49    51    52   0.33350  1.0 3.0
   43    49    51    53   0.15000  1.0 3.0
   43    49    51    58   0.56750  1.0 1.0
   43    49    51    58  -0.07550 -1.0 2.0
   43    49    51    58   0.20000  1.0 3.0
   43    49    54    55   0.15000  1.0 3.0
   43    49    54    56   0.15000  1.0 3.0
   43    49    54    57   0.15000  1.0 3.0
   44    43    49    50   0.27000  1.0 3.0
   44    43    49    51   0.15000  1.0 3.0
   44    43    49    54   0.15000  1.0 3.0
   45    43    49    50   0.27000  1.0 3.0
   45    43    49    51   0.15000  1.0 3.0
   45    43    49    54   0.15000  1.0 3.0
   49    51   -58    40   0.56750  1.0 1.0
   49    51   -58    40  -0.07550 -1.0 2.0
   49    51   -58    40   0.20000  1.0 3.0
   49    51    58    59   0.15000  1.0 3.0
   49    51    58    60   0.15000  1.0 3.0
   50    49    51    52   0.22500  1.0 1.0
   50    49    51    53   0.27000  1.0 3.0
   50    49    51    58   0.35600  1.0 1.0
   50    49    51    58  -0.14650 -1.0 2.0
   50    49    51    58   0.33350  1.0 3.0
   50    49    54    55   0.27000  1.0 3.0
   50    49    54    56   0.27000  1.0 3.0
   50    49    54    57   0.27000  1.0 3.0
   51    49    54    55   0.15000  1.0 3.0
   51    49    54    56   0.15000  1.0 3.0
   51    49    54    57   0.15000  1.0 3.0
   52    51    58    40   0.35600  1.0 1.0
   52    51    58    40  -0.14650 -1.0 2.0
   52    51    58    40   0.33350  1.0 3.0
   52    51    58    59   0.27000  1.0 3.0
   52    51    58    60   0.27000  1.0 3.0
   53    51    58    40   0.15000  1.0 3.0
   53    51    58    59   0.15000  1.0 3.0
   53    51    58    60   0.15000  1.0 3.0
   58    40   -42    43   0.46850  1.0 1.0
   58    40   -42    43   0.08550 -1.0 2.0
   58    40   -42    43   0.09800  1.0 3.0
   58    40    42    46   0.09850  1.0 1.0
   58    40    42    46   0.15250 -1.0 2.0
   58    40    42    46  -0.50650  1.0 3.0
   54    49    51    52   0.35600  1.0 1.0
   54    49    51    52  -0.14650 -1.0 2.0
   54    49    51    52   0.33350  1.0 3.0
   54    49    51    53   0.15000  1.0 3.0
   54    49    51    58   0.56750  1.0 1.0
   54    49    51    58  -0.07550 -1.0 2.0
   54    49    51    58   0.20000  1.0 3.0
   46    42    43    44   0.00000  1.0 1.0
   46    42    43    45   0.00000  1.0 1.0
   46    42    43    49   0.09850  1.0 1.0
   46    42    43    49   0.15250 -1.0 2.0
   46    42    43    49  -0.50650  1.0 3.0
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
   29    34    33    38  15.00000 -1.0 2.0
   40    39    38    33  15.00000 -1.0 2.0
   40    43    42    46   1.10000 -1.0 2.0
   47    48    46    42   1.10000 -1.0 2.0
END
