* LIGAND DATABASE FILE (OPLS2005)
*
001      69    69    127    185     368
    1     0 S   NP   _N1_     1    28.91383    95.07845   -20.17555
    2     1 S   H    _HN1     2     1.02837    36.58717   146.35697
    3     1 S   H    _H1_     3     1.02778    83.01613   -80.46263
    4     1 S   H    _H2_     4     1.02961    90.65550    27.92944
    5     1 S   CT   _CA1     5     1.50136   146.86001   158.85144
    6     5 S   HC   _HA1     6     1.09568   105.24214    51.28168
    7     5 S   CO3  _C1_     7     1.53826   112.31714   -68.98965
    8     7 S   O2Z  _O11     8     1.26367   114.99528   -43.37251
    9     7 S   O2Z  _O12     9     1.26232   114.93597   135.69830
   10     5 S   CT   _CB1    10     1.53079   107.41956   169.28149
   11    10 S   HC   HB11    11     1.09820   109.45244   -49.29785
   12    10 S   HC   HB12    12     1.09829   110.35809    67.29304
   13    10 S   CT   _CG1    13     1.53015   112.68253  -170.38802
   14    13 S   HC   HG11    14     1.09532   110.37692   -60.70158
   15    13 S   HC   HG12    15     1.09631   110.12539    58.43657
   16    13 S   C    _CD1    16     1.51817   112.12891   178.59779
   17    16 S   O    _OE1    17     1.22744   123.13681   -10.37835
   18    16 S   N    _N2_    18     1.38592   111.75279   170.22939
   19    18 S   H    _HN2    19     1.01591   119.12398     0.86705
   20    18 S   CT1  _CA2    20     1.46325   123.41028  -178.01712
   21    20 S   HC   _HA2    21     1.09735   109.30345   -12.22161
   22    20 S   C    _C2_    22     1.53446   108.77603  -127.91957
   23    22 S   O    _O2_    23     1.23021   122.19395  -149.47478
   24    20 S   CT   _CB2    32     1.53452   111.09692   109.69090
   25    24 S   HC   HB21    33     1.09461   109.28305    55.89014
   26    24 S   HC   HB22    34     1.09496   110.88118   174.29284
   27    22 S   N    _N3_    24     1.38505   113.45779    38.18394
   28    27 S   H    _HN3    25     1.01522   118.83691    -0.96975
   29    24 S   S    _SG2    35     1.83005   111.22138   -66.46514
   30    27 S   CT   _CA3    26     1.45449   123.59129   175.07033
   31    30 S   HC   HA31    27     1.09513   109.39706    21.09759
   32    30 S   HC   HA32    28     1.09499   107.07894   138.12737
   33    29 S   CT   _C13    36     1.83998   100.38995   138.02280
   34    33 S   HC   _H3_    37     1.09142   102.98130   -44.77006
   35    30 S   CO3  _C3_    29     1.52913   113.02789  -102.49284
   36    35 S   O2Z  _O31    30     1.26411   115.38076   -44.75314
   37    35 S   O2Z  _O32    31     1.26352   115.00381   136.17978
   38    33 S   CM   _C6_    38     1.54466   110.76958  -160.09914
   39    33 S   CM   _C14    62     1.51324   111.42170    72.24072
   40    39 S   HC   _H19    63     1.08648   116.49951    66.63156
   41    38 S   CM   _C5_    39     1.36358   125.06221   -59.03966
   42    39 S   CMA  _C15    64     1.35310   126.01084  -113.59155
   43    42 S   OM   _O33    65     1.26144   131.73799     0.37273
   44    41 S   CT   _C10    40     1.51765   122.99878   175.95281
   45    44 S   HC   _H11    41     1.09779   108.13982   107.43633
   46    44 S   HC   _H12    42     1.09722   109.86493  -136.43329
   47    41 S   CT   _C4_    58     1.51142   126.66769    -3.44668
   48    47 S   HC   _H4_    59     1.09572   109.94873   118.95108
   49    47 S   HC   _H5_    60     1.08757   115.24366    -1.76724
   50    47 S   HC   _H6_    61     1.09574   109.72438  -122.24180
   51    42 S   CT   _C16    66     1.51926   117.24422  -179.83331
   52    51 S   HC   _H20    67     1.09768   111.18500   119.58294
   53    51 S   HC   _H21    68     1.09769   111.19380  -119.40203
   54    51 S   HC   _H22    69     1.09663   112.41677     0.09691
   55    44 S   CT   _C9_    43     1.51777   114.74105   -14.94044
   56    55 S   HC   _H9_    44     1.09607   109.61766   166.74459
   57    55 S   HC   _H10    45     1.09595   110.31725   -76.12699
   58    55 S   CT   _C8_    46     1.51388   109.38088    45.94360
   59    58 S   HC   _H7_    47     1.09922   108.49609    60.63397
   60    58 S   HC   _H8_    48     1.09752   109.34100   175.91337
   61    38 S   CT   _C7_    49     1.56109   114.38564   119.65621
   62    61 S   CT   _C11    50     1.54616   109.18968   -69.68703
   63    62 S   HC   _H13    51     1.09612   111.11116  -174.47742
   64    62 S   HC   _H14    52     1.09511   111.91466    66.26515
   65    62 S   HC   _H15    53     1.09547   111.83522   -54.08458
   66    61 S   CT   _C12    54     1.54736   112.27034    50.82648
   67    66 S   HC   _H16    55     1.09692   110.92590   170.37483
   68    66 S   HC   _H17    56     1.09601   111.19240    50.72268
   69    66 S   HC   _H18    57     1.09369   112.67486   -70.81009
  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
  14   6   2   1   1  24   9   3  14   5   4  13   6   5   5   2
   1   1   3   2   1   1   8   5   4  11   4   3   8   7   3   2
   1   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    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    61    39    40    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    44    58    61    62    66    47    39    40    42    43    51  
   38    41    61    39    40    42  
   36    37  
   37  
    0  
   41    44    45    46    55    58    59    60    61    62    63    64    65    66    67    68    69    47    48    49    50    39    40    42  
   40    42    43    51    52    53    54    41    61  
   42    43    51  
   44    45    46    55    56    57    58    61    62    66    47    48    49    50  
   43    51    52    53    54  
   51    52    53    54  
   45    46    55    56    57    58    59    60    61    47    48    49    50  
   46    55    56    57    58    47  
   55    56    57    58    47  
   48    49    50    55    61  
   49    50  
   50  
    0  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58    59    60    61    62    66  
   57    58    59    60    61  
   58    59    60    61  
   59    60    61    62    63    64    65    66    67    68    69  
   60    61    62    66  
   61    62    66  
   62    63    64    65    66    67    68    69  
   63    64    65    66    67    68    69  
   64    65    66  
   65    66  
   66  
   67    68    69  
   68    69  
   69  
    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   3.5500   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   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   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    39   317.000  1.510
   38    41   549.000  1.340
   38    61   317.000  1.510
   41    44   317.000  1.510
   41    47   317.000  1.510
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   268.000  1.529
   61    66   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   39    40   340.000  1.080
   39    42   465.000  1.376
   42    43   745.000  1.250
   42    51   270.000  1.512
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    39    75.00000  112.20000
   33    38    41    70.00000  124.00000
   33    38    61    65.00000  117.92700
   33    39    40    35.00000  117.00000
   33    39    42    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    44    70.00000  124.00000
   38    41    47    70.00000  124.00000
   38    61    58    70.00000  112.02700
   38    61    62    70.00000  112.02700
   38    61    66    70.00000  112.02700
   41    44    45    35.00000  109.50000
   41    44    46    35.00000  109.50000
   41    44    55    70.00000  112.02700
   41    47    48    35.00000  109.50000
   41    47    49    35.00000  109.50000
   41    47    50    35.00000  109.50000
   44    55    56    37.50000  110.70000
   44    55    57    37.50000  110.70000
   44    55    58    58.35000  112.70000
   46    44    45    33.00000  107.80000
   55    44    45    37.50000  110.70000
   55    44    46    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    61    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    61    62    58.35000  112.70000
   58    61    66    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    38    41    70.00000  124.00000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    62    63    37.50000  110.70000
   61    62    64    37.50000  110.70000
   61    62    65    37.50000  110.70000
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    69    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   66    61    62    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   47    41    44    65.00000  117.92700
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  110.12100
   39    42    43    65.00000  137.10300
   39    42    51    65.00000  122.18000
   42    39    40    40.00000  120.50800
   42    51    52    45.00000  110.52000
   42    51    53    45.00000  110.52000
   42    51    54    45.00000  110.52000
   51    42    43    85.00000  112.85300
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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    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   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    61   0.30250  1.0 1.0
   29    33    38    61  -0.14950 -1.0 2.0
   29    33    38    61   0.36900  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    42   0.42700  1.0 1.0
   29    33    39    42  -0.70350 -1.0 2.0
   29    33    39    42  -0.43150  1.0 3.0
   33    38    41    44   7.00000 -1.0 2.0
   33    38    41    47   7.00000 -1.0 2.0
   33    38    61    58   0.46850  1.0 1.0
   33    38    61    58   0.08550 -1.0 2.0
   33    38    61    58   0.09800  1.0 3.0
   33    38    61    62   0.46850  1.0 1.0
   33    38    61    62   0.08550 -1.0 2.0
   33    38    61    62   0.09800  1.0 3.0
   33    38    61    66   0.46850  1.0 1.0
   33    38    61    66   0.08550 -1.0 2.0
   33    38    61    66   0.09800  1.0 3.0
   33    39    42    43   7.00000 -1.0 2.0
   33    39    42    51   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    61   0.34800  1.0 3.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    42   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    42  -0.28300  1.0 1.0
   38    33    39    42   0.26700 -1.0 2.0
   38    33    39    42  -0.63300  1.0 3.0
   38    41    44    45   0.00000  1.0 1.0
   38    41    44    46   0.00000  1.0 1.0
   38    41    44    55   0.09850  1.0 1.0
   38    41    44    55   0.15250 -1.0 2.0
   38    41    44    55  -0.50650  1.0 3.0
   38    41    47    48   0.00000  1.0 1.0
   38    41    47    49   0.00000  1.0 1.0
   38    41    47    50   0.00000  1.0 1.0
   38    61    62    63   0.15000  1.0 3.0
   38    61    62    64   0.15000  1.0 3.0
   38    61    62    65   0.15000  1.0 3.0
   38    61    66    67   0.15000  1.0 3.0
   38    61    66    68   0.15000  1.0 3.0
   38    61    66    69   0.15000  1.0 3.0
   41    38    61    58   0.09850  1.0 1.0
   41    38    61    58   0.15250 -1.0 2.0
   41    38    61    58  -0.50650  1.0 3.0
   41    38    61    62   0.09850  1.0 1.0
   41    38    61    62   0.15250 -1.0 2.0
   41    38    61    62  -0.50650  1.0 3.0
   41    38    61    66   0.09850  1.0 1.0
   41    38    61    66   0.15250 -1.0 2.0
   41    38    61    66  -0.50650  1.0 3.0
   41    44    55    56   0.15000  1.0 3.0
   41    44    55    57   0.15000  1.0 3.0
   41    44   -55    58   0.34400  1.0 1.0
   41    44   -55    58   0.09450 -1.0 2.0
   41    44   -55    58   0.11100  1.0 3.0
   44    41    47    48   0.34800  1.0 3.0
   44    41    47    49   0.34800  1.0 3.0
   44    41    47    50   0.34800  1.0 3.0
   44    55    58    59   0.15000  1.0 3.0
   44    55    58    60   0.15000  1.0 3.0
   44    55    58    61   0.56750  1.0 1.0
   44    55    58    61  -0.07550 -1.0 2.0
   44    55    58    61   0.20000  1.0 3.0
   45    44    55    56   0.15000  1.0 3.0
   45    44    55    57   0.15000  1.0 3.0
   45    44    55    58   0.15000  1.0 3.0
   46    44    55    56   0.15000  1.0 3.0
   46    44    55    57   0.15000  1.0 3.0
   46    44    55    58   0.15000  1.0 3.0
   55    58   -61    38   0.34400  1.0 1.0
   55    58   -61    38   0.09450 -1.0 2.0
   55    58   -61    38   0.11100  1.0 3.0
   55    58    61    62   0.56750  1.0 1.0
   55    58    61    62  -0.07550 -1.0 2.0
   55    58    61    62   0.20000  1.0 3.0
   55    58    61    66   0.56750  1.0 1.0
   55    58    61    66  -0.07550 -1.0 2.0
   55    58    61    66   0.20000  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    61   0.15000  1.0 3.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    61   0.15000  1.0 3.0
   58    61    62    63   0.15000  1.0 3.0
   58    61    62    64   0.15000  1.0 3.0
   58    61    62    65   0.15000  1.0 3.0
   58    61    66    67   0.15000  1.0 3.0
   58    61    66    68   0.15000  1.0 3.0
   58    61    66    69   0.15000  1.0 3.0
   59    58    61    38   0.15000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    66   0.15000  1.0 3.0
   60    58    61    38   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    66   0.15000  1.0 3.0
   61    38   -41    44   7.00000 -1.0 2.0
   61    38    41    47   7.00000 -1.0 2.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    68   0.15000  1.0 3.0
   62    61    66    69   0.15000  1.0 3.0
   66    61    62    63   0.15000  1.0 3.0
   66    61    62    64   0.15000  1.0 3.0
   66    61    62    65   0.15000  1.0 3.0
   47    41    44    45   0.34800  1.0 3.0
   47    41    44    46   0.34800  1.0 3.0
   47    41    44    55   0.46850  1.0 1.0
   47    41    44    55   0.08550 -1.0 2.0
   47    41    44    55   0.09800  1.0 3.0
   39    33    38    41  -0.28300  1.0 1.0
   39    33    38    41   0.26700 -1.0 2.0
   39    33    38    41  -0.63300  1.0 3.0
   39    33    38    61   0.09700  1.0 1.0
   39    33    38    61   0.15600 -1.0 2.0
   39    33    38    61  -0.50800  1.0 3.0
   39    42    51    52   0.00000  1.0 1.0
   39    42    51    53   0.00000  1.0 1.0
   39    42    51    54   0.00000  1.0 1.0
   40    39    42    43   7.00000 -1.0 2.0
   40    39    42    51   7.00000 -1.0 2.0
   43    42    51    52   0.00000  1.0 1.0
   43    42    51    53   0.00000  1.0 1.0
   43    42    51    54   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    61    38    41   1.10000 -1.0 2.0
   44    47    41    38   1.10000 -1.0 2.0
   33    40    39    42  15.00000 -1.0 2.0
   51    43    42    39  15.00000 -1.0 2.0
END
