* LIGAND DATABASE FILE (OPLS2005)
*
001      59    59    101    153     295
    1     0 S   NP   _N1_     1    27.96874    95.14791   -23.85814
    2     1 S   H    _HN1     2     1.02961    88.03894   -15.88297
    3     1 S   H    _H1_     3     1.02836    22.33571   132.97081
    4     1 S   H    _H2_     4     1.02780   104.13258  -124.30152
    5     1 S   CT   _CA1     5     1.50145   130.13525    99.40282
    6     5 S   HC   _HA1     6     1.09575   105.21225    72.25137
    7     5 S   CO3  _C1_     7     1.53786   112.29081   -47.97664
    8     7 S   O2Z  _O11     8     1.26374   114.99668   -44.65154
    9     7 S   O2Z  _O12     9     1.26224   114.92367   134.34276
   10     5 S   CT   _CB1    10     1.53078   107.41365  -169.80437
   11    10 S   HC   HB11    11     1.09834   109.37487   -49.80796
   12    10 S   HC   HB12    12     1.09817   110.40379    66.73675
   13    10 S   CT   _CG1    13     1.53051   112.71672  -170.82288
   14    13 S   HC   HG11    14     1.09586   110.57749   -64.19529
   15    13 S   HC   HG12    15     1.09654   109.89007    55.06398
   16    13 S   C    _CD1    16     1.51843   112.14014   175.48048
   17    16 S   O    _OE1    17     1.22776   123.22084     3.39730
   18    16 S   N    _N2_    18     1.38564   111.87006  -176.74923
   19    18 S   H    _HN2    19     1.01572   119.18877     4.04796
   20    18 S   CT1  _CA2    20     1.45829   122.67396   178.29131
   21    20 S   HC   _HA2    21     1.09729   108.79573    26.78131
   22    20 S   C    _C2_    22     1.52932   107.01645   -90.35827
   23    22 S   O    _O2_    23     1.22984   123.03090   -27.62940
   24    20 S   CT   _CB2    32     1.53162   112.44855   149.91028
   25    24 S   HC   HB21    33     1.09556   110.06233    56.31723
   26    24 S   HC   HB22    34     1.09534   109.96865   175.14546
   27    22 S   N    _N3_    24     1.38499   112.61439   155.13295
   28    27 S   H    _HN3    25     1.01662   120.37488    -2.38745
   29    24 S   S    _SG2    35     1.82622   111.29853   -64.54914
   30    27 S   CT   _CA3    26     1.45352   122.40648   178.44594
   31    30 S   HC   HA31    27     1.09577   107.71528   -56.52260
   32    30 S   HC   HA32    28     1.09564   107.68418    59.78392
   33    29 S   CT   _C10    36     1.84581    99.49261  -171.74522
   34    33 S   HC   _H3_    37     1.09471   104.63914    55.22187
   35    30 S   CO3  _C3_    29     1.52879   114.38236  -178.50250
   36    35 S   O2Z  _O31    30     1.26321   116.07759    -4.42996
   37    35 S   O2Z  _O32    31     1.26441   114.41025   175.60190
   38    33 S   CA   _C7_    38     1.52292   112.44361   -64.12847
   39    33 S   CM   _C11    53     1.51457   108.20014   171.18963
   40    39 S   HC   _H7_    54     1.09043   116.10203    60.23137
   41    38 S   CA   _C8_    39     1.40794   120.96545   -60.66740
   42    41 S   HA   _H6_    40     1.08702   119.72695     0.17471
   43    39 S   CMA  _C12    55     1.34954   125.10019  -119.66532
   44    43 S   OM   _O38    56     1.26065   134.54934    -0.14402
   45    41 S   CA   _C9_    41     1.39784   120.27608   179.46698
   46    43 S   CO3  _C13    57     1.55028   111.24215   179.77358
   47    46 S   O2Z  _O37    58     1.26774   115.42479    91.41706
   48    46 S   O2Z  _O36    59     1.26794   115.34921   -87.26432
   49    45 S   CA   _C4_    42     1.39364   121.20786     0.73754
   50    49 S   HA   _H4_    43     1.08587   121.26597  -179.97202
   51    45 S   SY   _S1_    49     1.79733   120.00459   179.83568
   52    51 S   OY   _O35    50     1.46085   101.56692    97.33921
   53    51 S   OY   _O33    51     1.46167   102.94618  -142.57331
   54    51 S   OY   _O34    52     1.46091   103.62312   -22.86900
   55    49 S   CA   _C5_    44     1.39165   119.16793    -0.47022
   56    55 S   HA   _H5_    45     1.08636   119.21094  -179.72732
   57    38 S   CA   _C6_    46     1.40654   121.19890   119.35257
   58    57 S   OH   _O39    47     1.37013   119.41691    -0.38715
   59    58 S   HO   _H8_    48     0.97179   108.99618   177.51840
  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   8   5   4   3
  13   6   2   1   1  13   8   3  11   4   4   3   9   2   1   1
   9   4   4   2   1   1   4   2   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    57    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    55    57    58    39    40    43    44    46  
   38    41    57    39    40    43  
   36    37  
   37  
    0  
   41    42    45    49    55    56    57    58    59    51    39    40    43  
   40    43    44    46    47    48    41    57  
   43    44    46  
   42    45    49    50    55    57    58    51    52    53    54  
   45    49    57    51  
   44    46    47    48  
   46    47    48  
   49    50    55    56    57    51    52    53    54  
   47    48  
   48  
    0  
   50    55    56    57    58    51    52    53    54  
   55    56    57    51  
   52    53    54    55  
   53    54  
   54  
    0  
   56    57    58    59  
   57    58  
   58    59  
   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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700   0.007500   2.5000   1.7750   0.001000000  -0.843144165
   46   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.2500   1.291800   2.0025   1.7750   0.025682759  -1.666211680
   52   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   53   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   54   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    57   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    49   469.000  1.400
   45    51   225.000  1.779
   49    50   367.000  1.080
   49    55   469.000  1.400
   55    56   367.000  1.080
   55    57   469.000  1.400
   57    58   450.000  1.364
   58    59   553.000  0.945
   51    52   735.000  1.471
   51    53   735.000  1.471
   51    54   735.000  1.471
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    46   230.000  1.545
   46    47   656.000  1.250
   46    48   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    57    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    57    55    63.00000  120.00000
   38    57    58    70.00000  120.00000
   41    45    49    63.00000  120.00000
   41    45    51    65.00000  117.06700
   45    41    42    35.00000  120.00000
   45    49    50    35.00000  120.00000
   45    49    55    63.00000  120.00000
   45    51    52   100.00000  107.67100
   45    51    53   100.00000  107.67100
   45    51    54   100.00000  107.67100
   49    55    56    35.00000  120.00000
   49    55    57    63.00000  120.00000
   55    49    50    35.00000  120.00000
   55    57    58    70.00000  120.00000
   57    38    41    63.00000  120.00000
   57    55    56    35.00000  120.00000
   57    58    59    35.00000  113.00000
   51    45    49    65.00000  117.06700
   53    51    52   115.00000  120.17200
   54    51    52   115.00000  120.17200
   54    51    53   115.00000  120.17200
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    46    55.00000  124.75400
   43    39    40    40.00000  120.50800
   43    46    47    85.00000  113.83300
   43    46    48    85.00000  113.83300
   46    43    44    65.00000  121.00000
   48    46    47    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    57  -0.16000  1.0 1.0
   29    33    38    57  -0.03200 -1.0 2.0
   29    33    38    57   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    57    55   3.62500 -1.0 2.0
   33    38    57    58   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    46   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    57   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    49   3.62500 -1.0 2.0
   38    41    45    51   3.62500 -1.0 2.0
   38    57    58    59   0.84100 -1.0 2.0
   41    38    57    55   3.62500 -1.0 2.0
   41    38    57    58   3.62500 -1.0 2.0
   41    45    49    50   3.62500 -1.0 2.0
   41    45   -49    55   3.62500 -1.0 2.0
   41    45    51    52   0.19500  1.0 1.0
   41    45    51    52   0.12000 -1.0 2.0
   41    45    51    53   0.19500  1.0 1.0
   41    45    51    53   0.12000 -1.0 2.0
   41    45    51    54   0.19500  1.0 1.0
   41    45    51    54   0.12000 -1.0 2.0
   42    41    45    49   3.62500 -1.0 2.0
   42    41    45    51   3.62500 -1.0 2.0
   45    49    55    56   3.62500 -1.0 2.0
   45    49    55    57   3.62500 -1.0 2.0
   49    45    51    52   0.19500  1.0 1.0
   49    45    51    52   0.12000 -1.0 2.0
   49    45    51    53   0.19500  1.0 1.0
   49    45    51    53   0.12000 -1.0 2.0
   49    45    51    54   0.19500  1.0 1.0
   49    45    51    54   0.12000 -1.0 2.0
   49    55   -57    38   3.62500 -1.0 2.0
   49    55    57    58   3.62500 -1.0 2.0
   50    49    55    56   3.62500 -1.0 2.0
   50    49    55    57   3.62500 -1.0 2.0
   55    57    58    59   0.84100 -1.0 2.0
   56    55    57    38   3.62500 -1.0 2.0
   56    55    57    58   3.62500 -1.0 2.0
   57    38    41    42   3.62500 -1.0 2.0
   57    38   -41    45   3.62500 -1.0 2.0
   51    45    49    50   3.62500 -1.0 2.0
   51    45    49    55   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    57   0.18050 -1.0 2.0
   39    43    46    47  -0.04000 -1.0 2.0
   39    43    46    47  -0.29050  1.0 3.0
   39    43    46    48  -0.04000 -1.0 2.0
   39    43    46    48  -0.29050  1.0 3.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    46   7.00000 -1.0 2.0
   44    43    46    47   1.68800 -1.0 2.0
   44    43    46    48   1.68800 -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
   36    30    35    37  10.50000 -1.0 2.0
   41    57    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   49    51    45    41   4.00000 -1.0 2.0
   55    50    49    45   1.10000 -1.0 2.0
   57    56    55    49   1.10000 -1.0 2.0
   55    58    57    38   4.00000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   46    44    43    39  15.00000 -1.0 2.0
   47    43    46    48  10.50000 -1.0 2.0
END
