* LIGAND DATABASE FILE (OPLS2005)
*
001      58    58     99    141     281
    1     0 S   NP   _N1_     1    28.84767    96.15988   -21.20700
    2     1 S   H    _HN1     2     1.02950    78.97021    18.41366
    3     1 S   H    _H1_     3     1.02831    41.79112   150.27680
    4     1 S   H    _H2_     4     1.02782    88.64254   -90.57144
    5     1 S   CT   _CA1     5     1.50114   151.44233   131.09606
    6     5 S   HC   _HA1     6     1.09566   105.24346    72.84998
    7     5 S   CO3  _C1_     7     1.53825   112.31672   -47.48590
    8     7 S   O2Z  _O11     8     1.26385   115.01812   -44.19607
    9     7 S   O2Z  _O12     9     1.26217   114.99387   135.01673
   10     5 S   CT   _CB1    10     1.53098   107.42549  -169.08624
   11    10 S   HC   HB11    11     1.09823   109.54263   -48.61704
   12    10 S   HC   HB12    12     1.09818   110.38997    68.04309
   13    10 S   CT   _CG1    13     1.52963   112.55526  -169.58603
   14    13 S   HC   HG11    14     1.09522   110.56876   -60.96376
   15    13 S   HC   HG12    15     1.09657   109.93646    58.10583
   16    13 S   C    _CD1    16     1.51811   112.28869   178.35646
   17    16 S   O    _OE1    17     1.22720   123.34160    -3.89913
   18    16 S   N    _N2_    18     1.38555   111.59143   176.50778
   19    18 S   H    _HN2    19     1.01641   118.85717     0.28804
   20    18 S   CT1  _CA2    20     1.46208   123.59257   178.79927
   21    20 S   HC   _HA2    21     1.09725   109.48123    -4.21826
   22    20 S   C    _C2_    22     1.53412   108.45170  -119.82165
   23    22 S   O    _O2_    23     1.23042   122.32968  -147.70553
   24    20 S   CT   _CB2    32     1.53215   111.14653   117.92674
   25    24 S   HC   HB21    33     1.09640   109.71322    54.64777
   26    24 S   HC   HB22    34     1.09513   110.89576   173.14857
   27    22 S   N    _N3_    24     1.38352   113.56328    39.83193
   28    27 S   H    _HN3    25     1.01626   119.52647    -3.80045
   29    24 S   S    _SG2    35     1.83014   111.37896   -67.12389
   30    27 S   CT   _CA3    26     1.45287   123.12262   176.92897
   31    30 S   HC   HA31    27     1.09553   107.55073   -63.12614
   32    30 S   HC   HA32    28     1.09558   107.91476    53.27244
   33    29 S   CA   _C10    36     1.80249    98.77963   155.82740
   34    30 S   CO3  _C3_    29     1.52935   114.14997   175.23276
   35    34 S   O2Z  _O31    30     1.26365   116.06885    -0.81181
   36    34 S   O2Z  _O32    31     1.26434   114.40820   179.23562
   37    33 S   CA   _C9_    37     1.41310   119.89613   -92.84240
   38    37 S   CA   _C8_    38     1.40735   121.52475   179.62727
   39    38 S   Cl   Cl2_    39     1.73866   119.89992  -179.01523
   40    37 S   CO4  _C12    52     1.47388   119.57053     0.63427
   41    40 S   O    _O35    53     1.21810   123.77632    84.68602
   42    38 S   CA   _C7_    40     1.40152   119.47754     0.73515
   43    42 S   Cl   Cl3_    41     1.73811   120.75500   179.74589
   44    40 S   OS   _O36    54     1.35513   107.23587   -94.63445
   45    42 S   CA   _C6_    42     1.40480   119.39165    -0.31027
   46    44 S   CT   _C13    55     1.43056   115.22226   178.92535
   47    46 S   HC   _H6_    56     1.09324   108.10421   166.15379
   48    46 S   HC   _H7_    57     1.09446   111.22373    47.10940
   49    46 S   HC   _H8_    58     1.09321   109.43667   -75.57569
   50    33 S   CA   _C11    43     1.40811   121.54695    87.86616
   51    50 S   Cl   Cl1_    44     1.74100   120.91913     0.36584
   52    45 S   CO4  _C5_    45     1.47115   119.30209   179.38071
   53    52 S   O    _O34    46     1.21782   123.80303   -88.95247
   54    52 S   OS   _O33    47     1.35523   107.31853    90.98382
   55    54 S   CT   _C4_    48     1.42998   114.77806  -179.97202
   56    55 S   HC   _H3_    49     1.09325   108.12724  -179.95577
   57    55 S   HC   _H4_    50     1.09429   110.28688    61.32540
   58    55 S   HC   _H5_    51     1.09430   110.29001   -61.23579
  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
  11   2   1   1  11   9   4   8   2   7   3   4   6   3   2   1
   1   4   1   6   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    50    51    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    45    50    51    52    40    41    44  
   35    36  
   36  
    0  
   38    39    42    43    45    50    51    40    41    44    46  
   39    42    43    45    50    52    40    41    44  
   42    43    45    40  
   41    44    46    47    48    49    42    50  
   44    46  
   43    45    50    51    52    53    54  
   45    50    52  
   46    47    48    49  
   50    51    52    53    54    55  
   47    48    49  
   48    49  
   49  
    0  
   51    52    53    54  
   52  
   53    54    55    56    57    58  
   54    55  
   55    56    57    58  
   56    57    58  
   57    58  
   58  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.320000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5500   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   40   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   44   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   52   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.030000   1.3810   1.2100   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   250.000  1.760
   33    37   469.000  1.400
   33    50   469.000  1.400
   37    38   469.000  1.400
   37    40   310.000  1.470
   38    39   300.000  1.725
   38    42   469.000  1.400
   42    43   300.000  1.725
   42    45   469.000  1.400
   45    50   469.000  1.400
   45    52   310.000  1.470
   50    51   300.000  1.725
   52    53   570.000  1.229
   52    54   214.000  1.327
   54    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   40    41   570.000  1.229
   40    44   214.000  1.327
   44    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000  104.20000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    85.00000  119.40000
   29    33    50    85.00000  119.40000
   33    37    38    63.00000  120.00000
   33    37    40    60.00000  119.52600
   33    50    45    63.00000  120.00000
   33    50    51    75.00000  120.00000
   37    38    39    75.00000  120.00000
   37    38    42    63.00000  120.00000
   37    40    41    75.00000  123.78400
   37    40    44    81.00000  111.40000
   38    42    43    75.00000  120.00000
   38    42    45    63.00000  120.00000
   42    38    39    75.00000  120.00000
   42    45    50    63.00000  120.00000
   42    45    52    60.00000  119.52600
   45    42    43    75.00000  120.00000
   45    50    51    75.00000  120.00000
   45    52    53    75.00000  123.78400
   45    52    54    81.00000  111.40000
   50    33    37    63.00000  120.00000
   52    45    50    60.00000  119.52600
   52    54    55    83.00000  116.90000
   54    52    53    83.00000  123.40000
   54    55    56    35.00000  109.50000
   54    55    57    35.00000  109.50000
   54    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   40    37    38    60.00000  119.52600
   40    44    46    83.00000  116.90000
   44    40    41    83.00000  123.40000
   44    46    47    35.00000  109.50000
   44    46    48    35.00000  109.50000
   44    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33  -0.35400  1.0 1.0
   20    24    29    33  -0.24450 -1.0 2.0
   20    24    29    33   0.44000  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.63250 -1.0 2.0
   24    29    33    50   0.63250 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   3.62500 -1.0 2.0
   29    33    37    40   3.62500 -1.0 2.0
   29    33    50    45   3.62500 -1.0 2.0
   29    33    50    51   3.62500 -1.0 2.0
   33    37    38    39   3.62500 -1.0 2.0
   33    37    38    42   3.62500 -1.0 2.0
   33    37    40    41   1.05000 -1.0 2.0
   33    37    40    44   0.98750 -1.0 2.0
   37    33    50    45   3.62500 -1.0 2.0
   37    33    50    51   3.62500 -1.0 2.0
   37    38    42    43   3.62500 -1.0 2.0
   37    38   -42    45   3.62500 -1.0 2.0
   37    40    44    46   0.59950  1.0 1.0
   37    40    44    46   3.24850 -1.0 2.0
   38    37    40    41   1.05000 -1.0 2.0
   38    37    40    44   0.98750 -1.0 2.0
   38    42    45    50   3.62500 -1.0 2.0
   38    42    45    52   3.62500 -1.0 2.0
   39    38    42    43   3.62500 -1.0 2.0
   39    38    42    45   3.62500 -1.0 2.0
   42    45   -50    33   3.62500 -1.0 2.0
   42    45    50    51   3.62500 -1.0 2.0
   42    45    52    53   1.05000 -1.0 2.0
   42    45    52    54   0.98750 -1.0 2.0
   43    42    45    50   3.62500 -1.0 2.0
   43    42    45    52   3.62500 -1.0 2.0
   45    52    54    55   0.59950  1.0 1.0
   45    52    54    55   3.24850 -1.0 2.0
   50    33   -37    38   3.62500 -1.0 2.0
   50    33    37    40   3.62500 -1.0 2.0
   50    45    52    53   1.05000 -1.0 2.0
   50    45    52    54   0.98750 -1.0 2.0
   52    45    50    33   3.62500 -1.0 2.0
   52    45    50    51   3.62500 -1.0 2.0
   52    54    55    56   0.08050  1.0 3.0
   52    54    55    57   0.08050  1.0 3.0
   52    54    55    58   0.08050  1.0 3.0
   53    52    54    55   3.00000 -1.0 2.0
   40    37    38    39   3.62500 -1.0 2.0
   40    37    38    42   3.62500 -1.0 2.0
   40    44    46    47   0.08050  1.0 3.0
   40    44    46    48   0.08050  1.0 3.0
   40    44    46    49   0.08050  1.0 3.0
   41    40    44    46   3.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    50    33    29   4.00000 -1.0 2.0
   38    40    37    33   4.00000 -1.0 2.0
   42    39    38    37   4.00000 -1.0 2.0
   45    43    42    38   4.00000 -1.0 2.0
   50    52    45    42   4.00000 -1.0 2.0
   45    51    50    33   4.00000 -1.0 2.0
   45    54    52    53  10.50000 -1.0 2.0
   37    44    40    41  10.50000 -1.0 2.0
END
