* LIGAND DATABASE FILE (OPLS2005)
*
001      64    66    116    190     343
    1     0 S   NP   _N1_     1    28.09193    96.31397   -22.93785
    2     1 S   H    _HN1     2     1.02778   104.31826  -118.97032
    3     1 S   H    _H1_     3     1.02957    78.76161   -12.70051
    4     1 S   H    _H2_     4     1.02836    31.77635   140.09388
    5     1 S   CT   _CA1     5     1.50161   136.09376    95.10696
    6     5 S   HC   _HA1     6     1.09574   105.19312    82.75689
    7     5 S   CO3  _C1_     7     1.53763   112.22414   -37.41737
    8     7 S   O2Z  _O11     8     1.26371   114.98876   -45.82910
    9     7 S   O2Z  _O12     9     1.26212   114.91649   133.01194
   10     5 S   CT   _CB1    10     1.53065   107.39024  -159.36144
   11    10 S   HC   HB11    11     1.09836   109.31727   -49.88502
   12    10 S   HC   HB12    12     1.09814   110.44504    66.64005
   13    10 S   CT   _CG1    13     1.53066   112.73815  -170.88911
   14    13 S   HC   HG11    14     1.09584   110.60419   -65.23611
   15    13 S   HC   HG12    15     1.09656   109.86016    54.02931
   16    13 S   C    _CD1    16     1.51860   112.05033   174.41356
   17    16 S   O    _OE1    17     1.22785   123.18332     5.41052
   18    16 S   N    _N2_    18     1.38552   111.95307  -174.65060
   19    18 S   H    _HN2    19     1.01575   119.23831     3.25486
   20    18 S   CT1  _CA2    20     1.45877   122.60453   177.95091
   21    20 S   HC   _HA2    21     1.09714   108.82305    28.72663
   22    20 S   C    _C2_    22     1.52927   106.69437   -88.64765
   23    22 S   O    _O2_    23     1.23014   122.89442   -30.73476
   24    20 S   CT   _CB2    32     1.53306   112.51754   152.09920
   25    24 S   HC   HB21    33     1.09443   109.46725    56.97127
   26    24 S   HC   HB22    34     1.09390   109.44168   175.60404
   27    22 S   N    _N3_    24     1.38474   112.80085   152.04190
   28    27 S   H    _HN3    25     1.01680   120.44567    -1.90495
   29    24 S   S    _SG2    35     1.82704   110.99342   -64.10026
   30    27 S   CT   _CA3    26     1.45371   122.23437   178.51998
   31    30 S   HC   HA31    27     1.09575   107.48336   -61.70450
   32    30 S   HC   HA32    28     1.09572   107.87649    54.54543
   33    29 S   CT   _C9_    36     1.86304   102.23511   177.38993
   34    30 S   CO3  _C3_    29     1.52837   114.54634   176.43960
   35    34 S   O2Z  _O31    30     1.26290   116.12095    -4.67420
   36    34 S   O2Z  _O32    31     1.26456   114.37622   175.45455
   37    33 S   C5A  _C6_    37     1.51296   110.54882   -56.94541
   38    33 S   CT   _C10    57     1.54945   113.29549   177.26562
   39    38 S   HC   _H3_    58     1.10350   106.60654  -177.76157
   40    37 S   C5BC _C5_    38     1.38461   129.18674   110.73307
   41    38 S   CO3  _C17    59     1.54611   122.48417    62.15665
   42    41 S   O2Z  _O40    60     1.26122   116.64514   -18.21849
   43    41 S   O2Z  _O39    61     1.26617   114.66953   160.75158
   44    40 S   C5BC _C4_    39     1.41512   108.27713  -179.97202
   45    44 S   HA   _H4_    40     1.08203   126.99179  -179.92867
   46    40 S   CO4  _C15    47     1.43710   121.45772    -0.93314
   47    46 S   O    _O35    48     1.22174   124.72535   178.90443
   48    44 S   C5A  _C7_    41     1.37799   106.95073     1.03192
   49    46 S   CO4  _C14    49     1.50691   115.83462    -1.59630
   50    49 S   O    _O36    50     1.22044   118.74346  -166.55541
   51    37 S   NA   _N4_    42     1.37633   124.09060   -67.68646
   52    51 S   H    _H5_    43     1.01312   125.08627    -0.08156
   53    48 S   CO3  _C8_    44     1.48122   126.88248   179.31758
   54    53 S   O2Z  _O34    45     1.26811   116.27340  -178.98896
   55    53 S   O2Z  _O33    46     1.26846   116.90252     0.93251
   56    33 S   CD   _C13    51     1.53900   107.40733    62.92296
   57    56 S   NI   _N5_    52     1.29625   125.54871    79.96248
   58    57 S   CM   _C12    53     1.37285   118.07731     0.18023
   59    58 S   CT   _C11    54     1.50670   121.30199    25.36089
   60    59 S   HC   _H6_    55     1.09783   108.81005   116.06703
   61    59 S   HC   _H7_    56     1.09818   108.63915  -128.39340
   62    58 S   CMA  _C16    62     1.53659   118.77893  -156.73559
   63    62 S   OM   _O38    63     1.26418   121.18783  -153.61598
   64    62 S   OM   _O37    64     1.26444   121.00573    26.61641
  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  11   5   4   3
  20   2   1   1  16  14   8  11   7   2   1  10   4   7   3   5
   4   2   5   1   2   1   1   4   7   6   5   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    51    49    56    57    59    38    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    44    48    51    52    46    49    50    56    57    58    59    60    61    38    39    41    42    43  
   35    36  
   36  
    0  
   40    44    45    48    51    52    53    46    47    49    56    57    59    38    39    41  
   39    41    42    43    62    40    49    51    56    57    58    59    60    61  
   41    42    43    56    58    59    60    61  
   44    45    48    51    52    53    46    47    49    50    56  
   42    43    56    58    59    60    61  
   43    59  
   59  
   45    48    51    52    53    54    55    46    47    49  
   48    51    53    46  
   47    49    50    56    57    48    51  
   49    50    56  
   51    52    53    54    55  
   50    56    57    58  
   56    57  
   52    53    54    55    56  
   53  
   54    55  
   55  
    0  
   57    58    59    62  
   58    59    60    61    62    63    64  
   59    60    61    62    63    64  
   60    61    62    63    64  
   61    62  
   62  
   63    64  
   64  
    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   0.358600   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.163000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5500   0.0700  -0.146000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.149000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.118000   1.3810   1.2100   0.030040813   0.268726247
   46   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5500   0.0700  -0.123000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   52   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.7500   0.1050   0.715000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   56   3.7500   0.1050   0.353600   2.0020   1.7750   0.023028004  -0.852763146
   57   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   58   3.5500   0.0760  -0.478700   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   64   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
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   222.000  1.810
   33    37   295.000  1.489
   33    56   270.000  1.508
   33    38   268.000  1.529
   37    40   546.000  1.367
   37    51   427.000  1.381
   40    44   469.000  1.424
   40    46   320.000  1.468
   44    45   367.000  1.080
   44    48   546.000  1.367
   48    51   427.000  1.381
   48    53   325.000  1.466
   51    52   434.000  1.010
   53    54   656.000  1.250
   53    55   656.000  1.250
   46    47   570.000  1.229
   46    49   250.000  1.523
   49    50   570.000  1.229
   49    56   275.000  1.494
   56    57   500.000  1.261
   57    58   405.000  1.380
   58    59   317.000  1.510
   58    62   465.000  1.376
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    38   268.000  1.529
   38    39   340.000  1.090
   38    41   317.000  1.522
   41    42   656.000  1.250
   41    43   656.000  1.250
   62    63   745.000  1.250
   62    64   745.000  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    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   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    37    80.00000  109.48900
   29    33    56    75.00000  114.43000
   29    33    38    75.00000  111.63000
   33    37    40    50.00000  133.50000
   33    37    51    65.00000  122.56900
   33    56    49    60.00000  116.68000
   33    56    57    65.00000  122.10100
   33    38    59    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    41    70.00000  109.69300
   37    40    44    70.00000  107.30000
   37    40    46    60.00000  121.69000
   37    51    48    70.00000  109.80000
   37    51    52    35.00000  120.00000
   40    44    45    35.00000  127.50000
   40    44    48    70.00000  107.30000
   40    46    47    80.00000  122.10000
   40    46    49    60.00000  117.28700
   44    48    51    70.00000  107.70000
   44    48    53    55.00000  130.80000
   48    44    45    35.00000  125.70000
   48    51    52    35.00000  120.00000
   48    53    54    80.00000  120.87000
   48    53    55    80.00000  120.87000
   51    37    40    70.00000  107.70000
   53    48    51    70.00000  119.02500
   55    53    54    80.00000  126.00000
   46    40    44    50.00000  131.05000
   46    49    50    80.00000  119.30300
   46    49    56    65.00000  116.00000
   49    46    47    80.00000  119.30300
   49    56    57    60.00000  126.98800
   56    33    37    70.00000  112.40000
   56    49    50    75.00000  122.07900
   56    57    58    75.00000  115.77100
   57    58    59    65.00000  119.96000
   57    58    62    70.00000  120.83400
   58    59    60    35.00000  109.50000
   58    59    61    35.00000  109.50000
   58    59    38    70.00000  112.02700
   58    62    63    65.00000  137.10300
   58    62    64    65.00000  137.10300
   59    38    39    37.50000  110.70000
   59    38    41    70.00000  109.69300
   61    59    60    33.00000  107.80000
   38    33    37    70.00000  113.44400
   38    33    56    70.00000  111.76100
   38    59    60    37.50000  110.70000
   38    59    61    37.50000  110.70000
   38    41    42    70.00000  117.00000
   38    41    43    70.00000  117.00000
   41    38    39    35.00000  109.50000
   43    41    42    80.00000  126.00000
   62    58    59    70.00000  124.00000
   64    62    63    65.00000  121.00000
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    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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    56  -0.62250  1.0 1.0
   24    29    33    56  -0.38450 -1.0 2.0
   24    29    33    56   0.81900  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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    37    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    51   0.04300 -1.0 2.0
   29    33    56    49   0.00000  1.0 1.0
   29    33    56    57   0.00000  1.0 1.0
   29    33    38    59   0.44750  1.0 1.0
   29    33    38    59  -0.17800 -1.0 2.0
   29    33    38    59   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   33    37    40    44   3.62500 -1.0 2.0
   33    37    40    46   3.62500 -1.0 2.0
   33    37    51    48   3.62500 -1.0 2.0
   33    37    51    52   2.00000 -1.0 2.0
   33    56    57    58   6.00000 -1.0 2.0
   33    38    41    42   0.41150 -1.0 2.0
   33    38    41    43   0.41150 -1.0 2.0
   37    33    56    49   0.00000  1.0 1.0
   37    33    56    57   0.00000  1.0 1.0
   37    33    38    59  -0.03700  1.0 1.0
   37    33    38    59   0.37200 -1.0 2.0
   37    33    38    59  -0.47300  1.0 3.0
   37    33    38    39   0.43200  1.0 3.0
   37    33    38    41  -2.95950  1.0 1.0
   37    33    38    41   0.02300  1.0 3.0
   37    40    44    45   3.62500 -1.0 2.0
   37    40   -44    48   3.62500 -1.0 2.0
   37    40    46    47   1.05000 -1.0 2.0
   37    40   -46    49   0.56600 -1.0 2.0
   40    37   -51    48   3.62500 -1.0 2.0
   40    37    51    52   2.00000 -1.0 2.0
   40    44   -48    51   3.62500 -1.0 2.0
   40    44    48    53   3.62500 -1.0 2.0
   40    46    49    50   0.03000  1.0 1.0
   40    46    49    50   0.58800 -1.0 2.0
   40    46    49    50   0.15550  1.0 3.0
   40    46    49    56   0.43900  1.0 1.0
   40    46    49    56  -0.18150 -1.0 2.0
   40    46    49    56  -0.03650  1.0 3.0
   44    40    46    47   1.05000 -1.0 2.0
   44    40    46    49   0.56600 -1.0 2.0
   44    48   -51    37   3.62500 -1.0 2.0
   44    48    51    52   2.00000 -1.0 2.0
   44    48    53    54   1.05000 -1.0 2.0
   44    48    53    55   1.05000 -1.0 2.0
   45    44    48    51   3.62500 -1.0 2.0
   45    44    48    53   3.62500 -1.0 2.0
   51    37   -40    44   3.62500 -1.0 2.0
   51    37    40    46   3.62500 -1.0 2.0
   51    48    53    54   1.85000 -1.0 2.0
   51    48    53    55   1.85000 -1.0 2.0
   53    48    51    37   3.62500 -1.0 2.0
   53    48    51    52   2.00000 -1.0 2.0
   46    40    44    45   3.62500 -1.0 2.0
   46    40    44    48   3.62500 -1.0 2.0
   46    49   -56    33   1.50000 -1.0 2.0
   46    49    56    57   1.50000 -1.0 2.0
   47    46    49    50   0.06100 -1.0 2.0
   47    46    49    56   0.03000  1.0 1.0
   47    46    49    56   0.58800 -1.0 2.0
   47    46    49    56   0.15550  1.0 3.0
   49    56    57    58   6.00000 -1.0 2.0
   50    49    56    33   1.00000 -1.0 2.0
   50    49    56    57   1.00000 -1.0 2.0
   56    33   -37    40   0.18050 -1.0 2.0
   56    33    37    51   0.04300 -1.0 2.0
   56    33    38    59   0.34400  1.0 1.0
   56    33    38    59   0.09450 -1.0 2.0
   56    33    38    59   0.11100  1.0 3.0
   56    33    38    39   0.15000  1.0 3.0
   56    33    38    41  -0.98800  1.0 1.0
   56    33    38    41   0.48800 -1.0 2.0
   56    33    38    41   0.76800  1.0 3.0
   56    57   -58    59   1.00000 -1.0 2.0
   56    57    58    62   1.00000 -1.0 2.0
   57    58    59    60   0.00000  1.0 1.0
   57    58    59    61   0.00000  1.0 1.0
   57    58    59    38   0.09700  1.0 1.0
   57    58    59    38   0.15600 -1.0 2.0
   57    58    59    38  -0.50800  1.0 3.0
   57    58    62    63   7.00000 -1.0 2.0
   57    58    62    64   7.00000 -1.0 2.0
   58    59   -38    33   0.34400  1.0 1.0
   58    59   -38    33   0.09450 -1.0 2.0
   58    59   -38    33   0.11100  1.0 3.0
   58    59    38    39   0.15000  1.0 3.0
   58    59    38    41  -0.98800  1.0 1.0
   58    59    38    41   0.48800 -1.0 2.0
   58    59    38    41   0.76800  1.0 3.0
   59    58    62    63   7.00000 -1.0 2.0
   59    58    62    64   7.00000 -1.0 2.0
   59    38    41    42   0.41150 -1.0 2.0
   59    38    41    43   0.41150 -1.0 2.0
   60    59    38    33   0.15000  1.0 3.0
   60    59    38    39   0.15000  1.0 3.0
   60    59    38    41  -0.11250  1.0 3.0
   61    59    38    33   0.15000  1.0 3.0
   61    59    38    39   0.15000  1.0 3.0
   61    59    38    41  -0.11250  1.0 3.0
   38    33    37    40   0.04150 -1.0 2.0
   38    33    37    51   0.39850  1.0 1.0
   38    33    37    51   0.06450 -1.0 2.0
   38    33    37    51   0.32400  1.0 3.0
   38    33    56    49   0.00000  1.0 1.0
   38    33   -56    57   0.00000  1.0 1.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   62    58    59    60   0.00000  1.0 1.0
   62    58    59    61   0.00000  1.0 1.0
   62    58    59    38   0.09850  1.0 1.0
   62    58    59    38   0.15250 -1.0 2.0
   62    58    59    38  -0.50650  1.0 3.0
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
   40    51    37    33   4.00000 -1.0 2.0
   44    46    40    37   4.00000 -1.0 2.0
   48    45    44    40   1.10000 -1.0 2.0
   53    51    48    44   4.00000 -1.0 2.0
   52    37    51    48   1.00000 -1.0 2.0
   54    48    53    55  10.50000 -1.0 2.0
   40    49    46    47  10.50000 -1.0 2.0
   46    56    49    50  10.50000 -1.0 2.0
   33    49    56    57  10.50000 -1.0 2.0
   57    59    58    62   1.10000 -1.0 2.0
   42    38    41    43  10.50000 -1.0 2.0
   63    64    62    58   1.10000 -1.0 2.0
END
