* LIGAND DATABASE FILE (OPLS2005)
*
001      58    58    102    157     303
    1     0 S   NP   _N1_     1    28.06554    96.99962   -22.69122
    2     1 S   H    _HN1     2     1.02777   106.21292  -110.69636
    3     1 S   H    _H1_     3     1.02958    72.64509    -6.07499
    4     1 S   H    _H2_     4     1.02835    37.18300   150.90562
    5     1 S   CT   _CA1     5     1.50152   137.36090    95.42766
    6     5 S   HC   _HA1     6     1.09575   105.18798    91.36950
    7     5 S   CO3  _C1_     7     1.53761   112.32157   -28.78169
    8     7 S   O2Z  _O11     8     1.26370   114.98343   -44.11401
    9     7 S   O2Z  _O12     9     1.26226   114.92183   134.82970
   10     5 S   CT   _CB1    10     1.53079   107.40560  -150.74618
   11    10 S   HC   HB11    11     1.09833   109.27472   -50.24474
   12    10 S   HC   HB12    12     1.09814   110.45115    66.28390
   13    10 S   CT   _CG1    13     1.53051   112.73150  -171.28864
   14    13 S   HC   HG11    14     1.09587   110.56089   -65.78996
   15    13 S   HC   HG12    15     1.09660   109.86480    53.44662
   16    13 S   C    _CD1    16     1.51860   112.17564   173.79013
   17    16 S   O    _OE1    17     1.22778   123.23133     4.07679
   18    16 S   N    _N2_    18     1.38582   111.86135  -175.94363
   19    18 S   H    _HN2    19     1.01569   119.10391     3.62428
   20    18 S   CT1  _CA2    20     1.45767   122.67593   177.12179
   21    20 S   HC   _HA2    21     1.09752   108.81862    26.24527
   22    20 S   C    _C2_    22     1.53009   107.35567   -90.56625
   23    22 S   O    _O2_    23     1.22948   123.18643   -24.48567
   24    20 S   CT   _CB2    32     1.53179   112.42218   149.41955
   25    24 S   HC   HB21    33     1.09590   110.49021    52.80924
   26    24 S   HC   HB22    34     1.09416   109.69554   171.74674
   27    22 S   N    _N3_    24     1.38536   112.37707   158.21060
   28    27 S   H    _HN3    25     1.01649   120.27195    -2.58467
   29    24 S   S    _SG2    35     1.82560   111.22420   -68.11010
   30    27 S   CT   _CA3    26     1.45337   122.68821   178.21031
   31    30 S   HC   HA31    27     1.09563   107.99512   -51.93791
   32    30 S   HC   HA32    28     1.09553   107.48931    64.47527
   33    29 S   CT   _C10    36     1.84449    99.67910  -179.59026
   34    33 S   HC   _H5_    37     1.09653   106.15615   -48.32102
   35    30 S   CO3  _C3_    29     1.52930   114.17468  -173.91930
   36    35 S   O2Z  _O31    30     1.26357   116.03986     0.33746
   37    35 S   O2Z  _O32    31     1.26425   114.42825  -179.72375
   38    33 S   CM   _C8_    38     1.52042   110.18512    69.96538
   39    33 S   CT   _C11    53     1.53342   109.89103  -165.37219
   40    39 S   HC   _H9_    54     1.09880   109.16113  -171.21615
   41    39 S   HC   _H10    55     1.09826   110.75968   -54.35965
   42    38 S   CM   _C9_    39     1.34895   120.75038  -113.96354
   43    42 S   HC   _H8_    40     1.08580   121.26680    -0.18345
   44    39 S   CO3  _C12    56     1.53410   116.03737    70.18935
   45    44 S   O2Z  _O34    57     1.26463   114.37786  -152.44787
   46    44 S   O2Z  _O33    58     1.26198   116.28279    28.74409
   47    42 S   CM   _C4_    41     1.44405   122.10673  -179.96574
   48    47 S   HC   _H6_    42     1.08466   117.97604   167.93548
   49    47 S   CM   _C5_    43     1.34033   121.10151   -14.96666
   50    49 S   HC   _H7_    44     1.08541   119.79796  -176.50610
   51    49 S   CT   _C6_    45     1.50467   120.93829     1.68992
   52    51 S   HC   _H3_    46     1.09751   107.73796   -96.28990
   53    38 S   CT   _C7_    47     1.52070   119.99103    66.84783
   54    53 S   HC   _H4_    48     1.09469   111.28884   -32.84227
   55    51 S   OH   _O36    51     1.42472   109.84883   146.90501
   56    55 S   HO   _H12    52     0.97238   107.66064    60.70006
   57    53 S   OH   _O35    49     1.43206   107.81272    83.17561
   58    57 S   HO   _H11    50     0.97221   107.62742    76.80588
  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   9   5   4   3
  15   7   2   1   1  16   7   4   3   9   4   2   1   1   7   3
   8   4   7   5   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    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    42    53    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    47    51    53    54    57    39    40    41    44    45    46  
   38    42    53    39    40    41    44  
   36    37  
   37  
    0  
   42    43    47    48    49    51    52    53    54    57    58    55    39    40    41    44  
   40    41    44    45    46    42    53  
   41    44    45    46  
   44    45    46  
   43    47    48    49    50    51    53    54    57  
   47    48    49    53  
   45    46  
   46  
    0  
   48    49    50    51    52    53    55  
   49    50    51  
   50    51    52    53    54    57    55    56  
   51    52    53    55  
   52    53    54    57    58    55    56  
   53    54    57    55    56  
   54    57    58    55    56  
   57    58    55  
   56    57  
    0  
   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  -0.335000   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   0.107500   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   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   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   268.000  1.529
   38    42   549.000  1.340
   38    53   317.000  1.510
   42    43   340.000  1.080
   42    47   380.000  1.444
   47    48   340.000  1.080
   47    49   549.000  1.340
   49    50   340.000  1.080
   49    51   317.000  1.510
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    55   320.000  1.410
   53    54   340.000  1.090
   53    57   320.000  1.410
   57    58   553.000  0.945
   55    56   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   656.000  1.250
   44    46   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    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  124.00000
   33    38    53    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    47    70.00000  123.01800
   38    53    51    70.00000  112.02700
   38    53    54    35.00000  109.50000
   38    53    57    90.00000  110.39200
   42    47    48    35.00000  120.00000
   42    47    49    70.00000  123.01800
   47    42    43    35.00000  120.00000
   47    49    50    35.00000  120.00000
   47    49    51    70.00000  124.00000
   49    47    48    35.00000  120.00000
   49    51    52    35.00000  109.50000
   49    51    53    70.00000  112.02700
   49    51    55    90.00000  110.39200
   51    49    50    35.00000  117.00000
   51    53    54    37.50000  110.70000
   51    53    57    50.00000  109.50000
   51    55    56    55.00000  108.50000
   53    38    42    70.00000  124.00000
   53    51    52    37.50000  110.70000
   53    57    58    55.00000  108.50000
   57    53    54    35.00000  109.50000
   55    51    52    35.00000  109.50000
   55    51    53    50.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    44    45    70.00000  117.00000
   39    44    46    70.00000  117.00000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   46    44    45    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  -0.62250  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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    38    53   0.30250  1.0 1.0
   29    33    38    53  -0.14950 -1.0 2.0
   29    33    38    53   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    47   7.00000 -1.0 2.0
   33    38    53    51   0.46850  1.0 1.0
   33    38    53    51   0.08550 -1.0 2.0
   33    38    53    51   0.09800  1.0 3.0
   33    38    53    54   0.34800  1.0 3.0
   33    38    53    57   0.18000  1.0 1.0
   33    38    53    57   0.16450 -1.0 2.0
   33    38    53    57   0.04450  1.0 3.0
   33    39    44    45   0.41150 -1.0 2.0
   33    39    44    46   0.41150 -1.0 2.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    53   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    44  -0.98800  1.0 1.0
   38    33    39    44   0.48800 -1.0 2.0
   38    33    39    44   0.76800  1.0 3.0
   38    42    47    48  -0.18600  1.0 3.0
   38    42    47    49   0.28850  1.0 1.0
   38    42    47    49   2.61350 -1.0 2.0
   38    42    47    49   0.78400  1.0 3.0
   38    53    57    58  -0.07800  1.0 1.0
   38    53    57    58  -0.21500 -1.0 2.0
   38    53    57    58  -0.03150  1.0 3.0
   42    38    53    51   0.09850  1.0 1.0
   42    38    53    51   0.15250 -1.0 2.0
   42    38    53    51  -0.50650  1.0 3.0
   42    38    53    54   0.00000  1.0 1.0
   42    38    53    57   0.67800  1.0 1.0
   42    38    53    57   0.47050 -1.0 2.0
   42    38    53    57  -0.62500  1.0 3.0
   42    47    49    50   7.00000 -1.0 2.0
   42    47   -49    51   7.00000 -1.0 2.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    49  -0.18600  1.0 3.0
   47    49    51    52   0.00000  1.0 1.0
   47    49    51    53   0.09850  1.0 1.0
   47    49    51    53   0.15250 -1.0 2.0
   47    49    51    53  -0.50650  1.0 3.0
   47    49    51    55   0.67800  1.0 1.0
   47    49    51    55   0.47050 -1.0 2.0
   47    49    51    55  -0.62500  1.0 3.0
   48    47    49    50   7.00000 -1.0 2.0
   48    47    49    51   7.00000 -1.0 2.0
   49    51   -53    38   0.31000  1.0 1.0
   49    51   -53    38   0.14700 -1.0 2.0
   49    51   -53    38   0.07550  1.0 3.0
   49    51    53    54   0.15000  1.0 3.0
   49    51    53    57   1.05650  1.0 1.0
   49    51    53    57   0.15600 -1.0 2.0
   49    51    53    57   0.53150  1.0 3.0
   49    51    55    56  -0.07800  1.0 1.0
   49    51    55    56  -0.21500 -1.0 2.0
   49    51    55    56  -0.03150  1.0 3.0
   50    49    51    52   0.33100  1.0 3.0
   50    49    51    53   0.00000  1.0 1.0
   50    49    51    55   0.00000  1.0 1.0
   51    53    57    58  -0.11600  1.0 1.0
   51    53    57    58  -0.09450 -1.0 2.0
   51    53    57    58   0.21250  1.0 3.0
   52    51    53    38   0.15000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    57   0.23400  1.0 3.0
   52    51    55    56   0.19450  1.0 3.0
   53    38    42    43   7.00000 -1.0 2.0
   53    38   -42    47   7.00000 -1.0 2.0
   53    51    55    56  -0.11600  1.0 1.0
   53    51    55    56  -0.09450 -1.0 2.0
   53    51    55    56   0.21250  1.0 3.0
   54    53    57    58   0.19450  1.0 3.0
   55    51    53    38   1.05650  1.0 1.0
   55    51    53    38   0.15600 -1.0 2.0
   55    51    53    38   0.53150  1.0 3.0
   55    51    53    54   0.23400  1.0 3.0
   55    51    53    57   3.75450  1.0 1.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    33    38    53   0.46850  1.0 1.0
   39    33    38    53   0.08550 -1.0 2.0
   39    33    38    53   0.09800  1.0 3.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    46   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    46   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
   36    30    35    37  10.50000 -1.0 2.0
   33    53    38    42   1.10000 -1.0 2.0
   47    43    42    38   1.10000 -1.0 2.0
   42    48    47    49   1.10000 -1.0 2.0
   51    50    49    47   1.10000 -1.0 2.0
   45    39    44    46  10.50000 -1.0 2.0
END
