* LIGAND DATABASE FILE (OPLS2005)
*
001      59    59    107    151     306
    1     0 S   NP   _N1_     1    28.63756    95.03680   -21.12862
    2     1 S   H    _HN1     2     1.02773    89.95128   -68.57312
    3     1 S   H    _H1_     3     1.02970    89.32353    39.76407
    4     1 S   H    _H2_     4     1.02831    31.50042   165.20928
    5     1 S   CT   _CA1     5     1.50143   142.24727   163.28264
    6     5 S   HC   _HA1     6     1.09577   105.21979    60.18041
    7     5 S   CO3  _C1_     7     1.53777   112.38300   -59.93031
    8     7 S   O2Z  _O11     8     1.26345   114.99854   -42.88035
    9     7 S   O2Z  _O12     9     1.26243   114.91843   136.22486
   10     5 S   CT   _CB1    10     1.53079   107.37988   178.00826
   11    10 S   HC   HB11    11     1.09816   109.21912   -51.24452
   12    10 S   HC   HB12    12     1.09828   110.42830    65.25575
   13    10 S   CT   _CG1    13     1.53000   112.75518  -172.47859
   14    13 S   HC   HG11    14     1.09578   110.25086   -63.57632
   15    13 S   HC   HG12    15     1.09635   110.18183    55.59078
   16    13 S   C    _CD1    16     1.51822   112.21872   175.64895
   17    16 S   O    _OE1    17     1.22735   123.17284   -12.10906
   18    16 S   N    _N2_    18     1.38598   111.71208   168.80784
   19    18 S   H    _HN2    19     1.01582   119.03002     0.61739
   20    18 S   CT1  _CA2    20     1.46257   123.42494  -178.34212
   21    20 S   HC   _HA2    21     1.09734   109.36865   -13.67471
   22    20 S   C    _C2_    22     1.53404   108.30395  -129.38426
   23    22 S   O    _O2_    23     1.23014   122.29037  -145.80857
   24    20 S   CT   _CB2    32     1.53444   111.32010   108.42362
   25    24 S   HC   HB21    33     1.09585   109.64675    54.93182
   26    24 S   HC   HB22    34     1.09480   110.52257   173.86109
   27    22 S   N    _N3_    24     1.38528   113.33759    41.58822
   28    27 S   H    _HN3    25     1.01529   118.87939    -0.61294
   29    24 S   S    _SG2    35     1.82620   111.58211   -66.42450
   30    27 S   CT   _CA3    26     1.45446   123.44236   175.08386
   31    30 S   HC   HA31    27     1.09525   109.20434    24.89442
   32    30 S   HC   HA32    28     1.09494   107.12624   141.89786
   33    29 S   CT   _C7_    36     1.84118    99.75231   157.50382
   34    33 S   HC   _H3_    37     1.09599   107.78289   -48.44874
   35    30 S   CO3  _C3_    29     1.52930   113.15589   -98.55867
   36    35 S   O2Z  _O31    30     1.26399   115.42849   -43.77023
   37    35 S   O2Z  _O32    31     1.26358   114.96581   137.16928
   38    33 S   CM   _C8_    38     1.52804   109.07962  -167.62407
   39    38 S   CT   _C11    39     1.52955   114.29452   -98.18349
   40    39 S   HC   _H14    40     1.09681   109.49014   151.10848
   41    39 S   HC   _H15    41     1.09838   109.04852   -91.61789
   42    38 S   CMA  _C9_    53     1.36669   123.28465    84.38829
   43    42 S   OM   _O33    54     1.26942   125.36747   176.83350
   44    39 S   NT   _N4_    42     1.46793   112.28046    30.87155
   45    42 S   OS   _O34    55     1.42008   111.63213    -1.17286
   46    44 S   CT   _C5_    43     1.46754   112.44344   -62.68584
   47    46 S   HC   _H7_    44     1.09810   111.37887   -89.41633
   48    46 S   HC   _H8_    45     1.09680   108.24131   153.70550
   49    44 S   CT   _C4_    49     1.45932   111.88517   171.32443
   50    49 S   HC   _H4_    50     1.09573   110.58302  -177.45555
   51    49 S   HC   _H5_    51     1.09589   112.08455    61.44957
   52    49 S   HC   _H6_    52     1.09558   110.64272   -59.54602
   53    45 S   CT   _C10    56     1.42786   113.65333  -135.79041
   54    53 S   HC   _H11    57     1.09388   107.69857   171.54539
   55    53 S   HC   _H12    58     1.09541   111.10002    53.38574
   56    53 S   HC   _H13    59     1.09468   111.09310   -70.50248
   57    33 S   CT   _C6_    46     1.53376   112.51982    70.17149
   58    57 S   HC   _H9_    47     1.09625   111.39005   -58.22786
   59    57 S   HC   _H10    48     1.09963   107.89469  -173.63810
  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  13  14   5   4   8   2  10   4   9   5   4
   4   2   1   1   3   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    57    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    46    57    58    59    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    46    47    48    57    58    59    42    43    45  
   38    39    46    57    58    59    42  
   36    37  
   37  
    0  
   39    40    41    44    46    57    58    59    49    42    43    45    53  
   40    41    44    46    47    48    57    49    50    51    52    42    43    45  
   41    44    46    49    42  
   44    46    49    42  
   43    45    53    54    55    56    44    57  
   45    53  
   46    47    48    57    58    59    49    50    51    52  
   53    54    55    56  
   47    48    57    58    59    49    50    51    52  
   48    57    58    59    49  
   57    58    59    49  
   50    51    52    57  
   51    52  
   52  
    0  
   54    55    56  
   55    56  
   56  
    0  
   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   0.107500   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   45   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   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   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    57   268.000  1.529
   38    39   317.000  1.510
   38    42   465.000  1.376
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   382.000  1.448
   44    46   382.000  1.448
   44    49   382.000  1.448
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   42    43   745.000  1.250
   42    45   440.000  1.360
   45    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    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    57    75.00000  111.63000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    57    46    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    59    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    44    75.00000  110.70900
   38    42    43    65.00000  137.10300
   38    42    45    80.00000  120.01400
   39    44    46    51.80000  107.20000
   39    44    49    51.80000  107.20000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    46    47    35.00000  109.50000
   44    46    48    35.00000  109.50000
   44    46    57    56.20000  109.47000
   44    49    50    35.00000  109.50000
   44    49    51    35.00000  109.50000
   44    49    52    35.00000  109.50000
   46    57    58    37.50000  110.70000
   46    57    59    37.50000  110.70000
   48    46    47    33.00000  107.80000
   57    33    34    37.50000  110.70000
   57    33    38    70.00000  112.02700
   57    46    47    37.50000  110.70000
   57    46    48    37.50000  110.70000
   59    57    58    33.00000  107.80000
   49    44    46    51.80000  107.20000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   42    38    39    70.00000  124.00000
   42    45    53    90.00000  111.18400
   45    42    43    65.00000  121.00000
   45    53    54    35.00000  109.50000
   45    53    55    35.00000  109.50000
   45    53    56    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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   0.01700  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    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   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    39   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  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    57    46   0.44750  1.0 1.0
   29    33    57    46  -0.17800 -1.0 2.0
   29    33    57    46   0.20200  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    59   0.15000  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    41   0.34800  1.0 3.0
   33    38    39    44   0.52100  1.0 1.0
   33    38    39    44  -0.20350 -1.0 2.0
   33    38    39    44   0.29750  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    45   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    57    46   0.15000  1.0 3.0
   34    33    57    58   0.15000  1.0 3.0
   34    33    57    59   0.15000  1.0 3.0
   38    33    57    46   0.34400  1.0 1.0
   38    33    57    46   0.09450 -1.0 2.0
   38    33    57    46   0.11100  1.0 3.0
   38    33    57    58   0.15000  1.0 3.0
   38    33    57    59   0.15000  1.0 3.0
   38    39   -44    46  -0.60800  1.0 1.0
   38    39   -44    46   1.10050 -1.0 2.0
   38    39   -44    46   0.47000  1.0 3.0
   38    39    44    49  -0.60800  1.0 1.0
   38    39    44    49   1.10050 -1.0 2.0
   38    39    44    49   0.47000  1.0 3.0
   38    42    45    53  -2.26850  1.0 1.0
   38    42    45    53   3.39050 -1.0 2.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    45   7.00000 -1.0 2.0
   39    44    46    47   0.28000  1.0 3.0
   39    44    46    48   0.28000  1.0 3.0
   39    44    46    57   0.23450  1.0 1.0
   39    44    46    57   0.02050 -1.0 2.0
   39    44    46    57   0.25250  1.0 3.0
   39    44    49    50   0.28000  1.0 3.0
   39    44    49    51   0.28000  1.0 3.0
   39    44    49    52   0.28000  1.0 3.0
   40    39    44    46   0.28000  1.0 3.0
   40    39    44    49   0.28000  1.0 3.0
   41    39    44    46   0.28000  1.0 3.0
   41    39    44    49   0.28000  1.0 3.0
   44    46   -57    33   1.53400  1.0 1.0
   44    46   -57    33  -0.09950 -1.0 2.0
   44    46   -57    33   0.05700  1.0 3.0
   44    46    57    58   0.15000  1.0 3.0
   44    46    57    59   0.15000  1.0 3.0
   46    44    49    50   0.28000  1.0 3.0
   46    44    49    51   0.28000  1.0 3.0
   46    44    49    52   0.28000  1.0 3.0
   47    46    57    33   0.15000  1.0 3.0
   47    46    57    58   0.15000  1.0 3.0
   47    46    57    59   0.15000  1.0 3.0
   48    46    57    33   0.15000  1.0 3.0
   48    46    57    58   0.15000  1.0 3.0
   48    46    57    59   0.15000  1.0 3.0
   57    33   -38    39   0.46850  1.0 1.0
   57    33   -38    39   0.08550 -1.0 2.0
   57    33   -38    39   0.09800  1.0 3.0
   57    33    38    42   0.09850  1.0 1.0
   57    33    38    42   0.15250 -1.0 2.0
   57    33    38    42  -0.50650  1.0 3.0
   49    44    46    47   0.28000  1.0 3.0
   49    44    46    48   0.28000  1.0 3.0
   49    44    46    57   0.58650  1.0 1.0
   49    44    46    57   0.12600 -1.0 2.0
   49    44    46    57   0.33350  1.0 3.0
   42    38    39    40   0.00000  1.0 1.0
   42    38    39    41   0.00000  1.0 1.0
   42    38    39    44   0.90200  1.0 1.0
   42    38    39    44   0.57900 -1.0 2.0
   42    38    39    44  -0.62100  1.0 3.0
   42    45    53    54   0.08050  1.0 3.0
   42    45    53    55   0.08050  1.0 3.0
   42    45    53    56   0.08050  1.0 3.0
   43    42    45    53   2.00000 -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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   43    45    42    38   1.10000 -1.0 2.0
END
