* LIGAND DATABASE FILE (OPLS2005)
*
001      73    74    137    208     405
    1     0 S   NP   _N1_     1    30.51143    92.89827   -16.49148
    2     1 S   H    _HN1     2     1.02958   120.62894   128.62929
    3     1 S   H    _H1_     3     1.02728    30.06465    57.85645
    4     1 S   H    _H2_     4     1.03262   122.00582   -11.64402
    5     1 S   CT   _CA1     5     1.50171    81.39908  -122.75524
    6     5 S   HC   _HA1     6     1.09563   105.38422    53.19209
    7     5 S   CO3  _C1_     7     1.53675   112.61560   -67.45772
    8     7 S   O2Z  _O11     8     1.26387   115.06365   -44.42904
    9     7 S   O2Z  _O12     9     1.26258   114.97089   134.88640
   10     5 S   CT   _CB1    10     1.52800   107.03813   170.84421
   11    10 S   HC   HB11    11     1.09791   108.92472   -54.51905
   12    10 S   HC   HB12    12     1.09826   109.99088    61.34594
   13    10 S   CT   _CG1    13     1.53208   113.80605  -175.58483
   14    13 S   HC   HG11    14     1.09544   111.24049   -74.30377
   15    13 S   HC   HG12    15     1.09584   110.73557    45.65120
   16    13 S   C    _CD1    16     1.51546   109.62752   164.82363
   17    16 S   O    _OE1    17     1.22816   121.90119  -110.74673
   18    16 S   N    _N2_    18     1.38241   112.63076    66.96191
   19    18 S   H    _HN2    19     1.01556   119.15485    11.17586
   20    18 S   CT1  _CA2    20     1.45715   123.24488  -169.61467
   21    20 S   HC   _HA2    21     1.09717   109.07266    12.73270
   22    20 S   C    _C2_    22     1.52696   107.71240  -105.04007
   23    22 S   O    _O2_    23     1.22937   122.93965   -25.54574
   24    20 S   CT   _CB2    32     1.53594   111.24096   134.81161
   25    24 S   HC   HB21    33     1.09233   109.18893    61.49517
   26    24 S   HC   HB22    34     1.09477   109.99397   179.49954
   27    22 S   N    _N3_    24     1.38622   112.32614   157.49055
   28    27 S   H    _HN3    25     1.01495   119.70165     0.44235
   29    24 S   S    _SG2    35     1.83491   110.57441   -60.66214
   30    27 S   CT   _CA3    26     1.45432   122.77447   174.55259
   31    30 S   HC   HA31    27     1.09542   108.88019    31.79101
   32    30 S   HC   HA32    28     1.09475   107.17929   148.96588
   33    29 S   CT   _C11    36     1.88639   103.37575   160.31619
   34    30 S   CO3  _C3_    29     1.53100   113.71674   -91.05326
   35    34 S   O2Z  _O31    30     1.26369   115.93724   -27.19405
   36    34 S   O2Z  _O32    31     1.26428   114.58766   153.62534
   37    33 S   CT   _C12    37     1.55258   107.52944    46.30056
   38    37 S   HC   _H10    38     1.09546   113.10510    28.55781
   39    37 S   HC   _H11    39     1.09739   111.24373   -90.25447
   40    33 S   CT   _C18    70     1.55429   105.46645   -68.56209
   41    40 S   HC   _H20    71     1.09176   113.14166   -60.17799
   42    40 S   HC   _H21    72     1.09504   111.61263   178.02533
   43    40 S   HC   _H22    73     1.09423   112.68162    60.64600
   44    37 S   CO4  _C13    40     1.50358   113.05151   148.19599
   45    44 S   O    _O34    41     1.23099   121.42889   125.68366
   46    44 S   CT   _C14    42     1.51048   117.30398   -58.26252
   47    46 S   HC   _H12    43     1.09738   106.41894   148.44113
   48    46 S   HC   _H13    44     1.09592   108.10096   -96.54724
   49    46 S   CT   _C15    45     1.54943   113.13977    27.13323
   50    33 S   CT   _C10    46     1.63183   111.03901   169.67356
   51    49 S   CT   _C16    62     1.55231   109.35179   -94.28963
   52    51 S   HC   _H14    63     1.09525   111.68089   179.37130
   53    51 S   HC   _H15    64     1.09009   113.26392    57.09842
   54    51 S   HC   _H16    65     1.09723   110.77581   -61.70738
   55    49 S   CT   _C17    66     1.55824   107.47010   153.08611
   56    55 S   HC   _H17    67     1.09536   111.62816   179.26565
   57    55 S   HC   _H18    68     1.09691   110.82812    59.68872
   58    55 S   HC   _H19    69     1.09435   112.39605   -59.22229
   59    50 S   CM   _C9_    47     1.54334   110.91411   150.13507
   60    59 S   HC   _H9_    48     1.09009   114.72949    49.20039
   61    50 S   OS   _O35    57     1.44492   112.16897    23.97868
   62    59 S   CM   _C8_    49     1.34278   131.46623  -131.88567
   63    62 S   HC   _H8_    50     1.08981   116.67653  -179.27882
   64    62 S   CM   _C5_    51     1.44847   128.67549    -0.87982
   65    64 S   CM   _C6_    52     1.34490   123.62260    29.17734
   66    65 S   HC   _H6_    53     1.09047   117.51997   177.50323
   67    64 S   CT   _C4_    58     1.50398   115.12542  -153.46685
   68    67 S   HC   _H3_    59     1.09563   110.44431    60.09863
   69    67 S   HC   _H4_    60     1.09554   110.71462   -60.12300
   70    67 S   HC   _H5_    61     1.09545   112.17604   179.84677
   71    65 S   CT   _C7_    54     1.51035   123.80206    -2.67862
   72    71 S   OM   _O33    55     1.32073   106.59095  -172.64948
   73    71 S   HC   _H7_    56     1.09216   106.82036    59.48242
  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  13   5   4   3
  19   2   1   1  15   6   5   8   3   2   1   8   4  14   5   4
  14  18   9   3   2   1   5   2   1   1   8   4   7   9   3   9
   8   4   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    49    50    59    61    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    49    50    59    60    62    71    61    51    55    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    47    48    49    50    59    61    40    41    42    43  
   39    44    45    46    50    40  
   44    45    46    50    40  
   41    42    43    44    49    50    59    61  
   42    43    50  
   43    50  
   50  
   45    46    47    48    49    50    51    55  
   46    47    48    49  
   47    48    49    50    59    61    51    52    53    54    55    56    57    58  
   48    49    50    51    55  
   49    50    51    55  
   50    59    60    62    71    61    51    52    53    54    55    56    57    58  
   59    60    62    63    64    65    71    72    73    61    51    52    53    54    55    56    57    58  
   52    53    54    55    56    57    58    59    61  
   53    54    55  
   54    55  
   55  
   56    57    58    59    61  
   57    58  
   58  
    0  
   60    62    63    64    65    71    61    67  
   62    63    64    61  
   62    64    65    66    71    72    73  
   63    64    65    66    71    67    68    69    70  
   64    65    67  
   65    66    71    72    73    67    68    69    70  
   66    71    72    73    67    68    69    70  
   71    72    73    67  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73  
   73  
    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   0.167500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.461500   1.9750   1.7500   0.005000000  -0.741685710
   72   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   73   2.5000   0.0500   0.030000   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    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   268.000  1.529
   33    50   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   317.000  1.522
   44    45   570.000  1.229
   44    46   317.000  1.522
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   268.000  1.529
   49    51   268.000  1.529
   49    55   268.000  1.529
   50    59   317.000  1.510
   50    61   320.000  1.410
   59    60   340.000  1.080
   59    62   549.000  1.340
   62    63   340.000  1.080
   62    64   380.000  1.444
   64    65   549.000  1.340
   64    67   317.000  1.510
   65    66   340.000  1.080
   65    71   317.000  1.510
   71    72   570.000  1.307
   71    73   340.000  1.090
   71    61   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   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    75.00000  111.63000
   29    33    50    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    63.00000  111.10000
   33    50    49    58.35000  112.70000
   33    50    59    70.00000  112.02700
   33    50    61    50.00000  109.50000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    80.00000  120.40000
   37    44    46    70.00000  116.00000
   39    37    38    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    39    35.00000  109.50000
   44    46    47    35.00000  109.50000
   44    46    48    35.00000  109.50000
   44    46    49    63.00000  111.10000
   46    44    45    80.00000  120.40000
   46    49    50    58.35000  112.70000
   46    49    51    58.35000  112.70000
   46    49    55    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    50    59    70.00000  112.02700
   49    50    61    50.00000  109.50000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    54    37.50000  110.70000
   49    55    56    37.50000  110.70000
   49    55    57    37.50000  110.70000
   49    55    58    37.50000  110.70000
   50    33    37    58.35000  112.70000
   50    59    60    35.00000  117.00000
   50    59    62    70.00000  124.00000
   50    61    71    60.00000  109.50000
   59    62    63    35.00000  120.00000
   59    62    64    70.00000  123.01800
   62    59    60    35.00000  120.00000
   62    64    65    70.00000  123.01800
   62    64    67    70.00000  124.00000
   64    62    63    35.00000  120.00000
   64    65    66    35.00000  120.00000
   64    65    71    70.00000  124.00000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    35.00000  109.50000
   65    71    72    85.00000  110.90400
   65    71    73    35.00000  109.50000
   65    71    61    85.00000  110.90400
   71    65    66    35.00000  117.00000
   73    71    72    45.00000  125.66300
   61    50    59    85.00000  110.90400
   61    71    72   110.00000  112.65000
   61    71    73    35.00000  109.50000
   67    64    65    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   51    49    50    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   55    49    50    58.35000  112.70000
   55    49    51    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    50    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    44   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    50    49   0.44750  1.0 1.0
   29    33    50    49  -0.17800 -1.0 2.0
   29    33    50    49   0.20200  1.0 3.0
   29    33    50    59   0.56750  1.0 1.0
   29    33    50    59  -0.07550 -1.0 2.0
   29    33    50    59   0.20000  1.0 3.0
   29    33    50    61   0.56750  1.0 1.0
   29    33    50    61  -0.07550 -1.0 2.0
   29    33    50    61   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    37    44    45   0.30150 -1.0 2.0
   33    37    44    46   0.60050  1.0 1.0
   33    37    44    46   0.05600 -1.0 2.0
   33    37    44    46   0.26150  1.0 3.0
   33    50    59    60   0.00000  1.0 1.0
   33    50    59    62   0.09850  1.0 1.0
   33    50    59    62   0.15250 -1.0 2.0
   33    50    59    62  -0.50650  1.0 3.0
   33    50    61    71   0.06250  1.0 1.0
   33    50    61    71  -0.01100 -1.0 2.0
   33    50    61    71   0.28050  1.0 3.0
   37    33    50    49   0.56750  1.0 1.0
   37    33    50    49  -0.07550 -1.0 2.0
   37    33    50    49   0.20000  1.0 3.0
   37    33    50    59   0.34400  1.0 1.0
   37    33    50    59   0.09450 -1.0 2.0
   37    33    50    59   0.11100  1.0 3.0
   37    33    50    61   0.62750  1.0 1.0
   37    33    50    61  -0.30950 -1.0 2.0
   37    33    50    61   0.27300  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    43   0.15000  1.0 3.0
   37    44    46    47   0.00000  1.0 1.0
   37    44    46    48   0.00000  1.0 1.0
   37    44   -46    49   0.60050  1.0 1.0
   37    44   -46    49   0.05600 -1.0 2.0
   37    44   -46    49   0.26150  1.0 3.0
   38    37    44    45   0.00000  1.0 1.0
   38    37    44    46   0.00000  1.0 1.0
   39    37    44    45   0.00000  1.0 1.0
   39    37    44    46   0.00000  1.0 1.0
   44    46    49    50  -0.95700  1.0 1.0
   44    46    49    50  -0.18200 -1.0 2.0
   44    46    49    50   0.29450  1.0 3.0
   44    46    49    51  -0.95700  1.0 1.0
   44    46    49    51  -0.18200 -1.0 2.0
   44    46    49    51   0.29450  1.0 3.0
   44    46    49    55  -0.95700  1.0 1.0
   44    46    49    55  -0.18200 -1.0 2.0
   44    46    49    55   0.29450  1.0 3.0
   45    44    46    47   0.00000  1.0 1.0
   45    44    46    48   0.00000  1.0 1.0
   45    44    46    49   0.30150 -1.0 2.0
   46    49   -50    33   0.56750  1.0 1.0
   46    49   -50    33  -0.07550 -1.0 2.0
   46    49   -50    33   0.20000  1.0 3.0
   46    49    50    59   0.34400  1.0 1.0
   46    49    50    59   0.09450 -1.0 2.0
   46    49    50    59   0.11100  1.0 3.0
   46    49    50    61   0.62750  1.0 1.0
   46    49    50    61  -0.30950 -1.0 2.0
   46    49    50    61   0.27300  1.0 3.0
   46    49    51    52   0.15000  1.0 3.0
   46    49    51    53   0.15000  1.0 3.0
   46    49    51    54   0.15000  1.0 3.0
   46    49    55    56   0.15000  1.0 3.0
   46    49    55    57   0.15000  1.0 3.0
   46    49    55    58   0.15000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    55   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51   0.15000  1.0 3.0
   48    46    49    55   0.15000  1.0 3.0
   49    50    59    60   0.00000  1.0 1.0
   49    50    59    62   0.09850  1.0 1.0
   49    50    59    62   0.15250 -1.0 2.0
   49    50    59    62  -0.50650  1.0 3.0
   49    50    61    71   0.06250  1.0 1.0
   49    50    61    71  -0.01100 -1.0 2.0
   49    50    61    71   0.28050  1.0 3.0
   50    33    37    38   0.15000  1.0 3.0
   50    33    37    39   0.15000  1.0 3.0
   50    33   -37    44  -0.95700  1.0 1.0
   50    33   -37    44  -0.18200 -1.0 2.0
   50    33   -37    44   0.29450  1.0 3.0
   50    33    40    41   0.15000  1.0 3.0
   50    33    40    42   0.15000  1.0 3.0
   50    33    40    43   0.15000  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    54   0.15000  1.0 3.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    57   0.15000  1.0 3.0
   50    49    55    58   0.15000  1.0 3.0
   50    59    62    63   7.00000 -1.0 2.0
   50    59    62    64   7.00000 -1.0 2.0
   59    50    61    71  -0.77900  1.0 1.0
   59    50    61    71  -0.36900 -1.0 2.0
   59    50    61    71   0.40400  1.0 3.0
   59    62    64    65   0.28850  1.0 1.0
   59    62    64    65   2.61350 -1.0 2.0
   59    62    64    65   0.78400  1.0 3.0
   59    62    64    67  -0.18600  1.0 3.0
   60    59    62    63   7.00000 -1.0 2.0
   60    59    62    64   7.00000 -1.0 2.0
   62    64    65    66   7.00000 -1.0 2.0
   62    64    65    71   7.00000 -1.0 2.0
   62    64    67    68   0.00000  1.0 1.0
   62    64    67    69   0.00000  1.0 1.0
   62    64    67    70   0.00000  1.0 1.0
   63    62    64    65  -0.18600  1.0 3.0
   63    62    64    67   0.00000  1.0 1.0
   64    65    71    72   0.39000  1.0 1.0
   64    65    71    72  -0.05800 -1.0 2.0
   64    65    71    72  -0.55150  1.0 3.0
   64    65    71    73   0.00000  1.0 1.0
   64    65    71    61   0.39000  1.0 1.0
   64    65    71    61  -0.05800 -1.0 2.0
   64    65    71    61  -0.55150  1.0 3.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    69   0.00000  1.0 1.0
   65    64    67    70   0.00000  1.0 1.0
   65    71    61    50  -0.77900  1.0 1.0
   65    71    61    50  -0.36900 -1.0 2.0
   65    71    61    50   0.40400  1.0 3.0
   66    65    71    72   0.00000  1.0 1.0
   66    65    71    73   0.33100  1.0 3.0
   66    65    71    61   0.00000  1.0 1.0
   72    71    61    50  -0.11650  1.0 1.0
   72    71    61    50  -1.14850 -1.0 2.0
   72    71    61    50   0.58850  1.0 3.0
   73    71    61    50   0.37050  1.0 3.0
   61    50    59    60   0.00000  1.0 1.0
   61    50    59    62   0.39000  1.0 1.0
   61    50    59    62  -0.05800 -1.0 2.0
   61    50    59    62  -0.55150  1.0 3.0
   67    64    65    66   7.00000 -1.0 2.0
   67    64    65    71   7.00000 -1.0 2.0
   51    49    50    33   0.56750  1.0 1.0
   51    49    50    33  -0.07550 -1.0 2.0
   51    49    50    33   0.20000  1.0 3.0
   51    49    50    59   0.34400  1.0 1.0
   51    49    50    59   0.09450 -1.0 2.0
   51    49    50    59   0.11100  1.0 3.0
   51    49    50    61   0.62750  1.0 1.0
   51    49    50    61  -0.30950 -1.0 2.0
   51    49    50    61   0.27300  1.0 3.0
   51    49    55    56   0.15000  1.0 3.0
   51    49    55    57   0.15000  1.0 3.0
   51    49    55    58   0.15000  1.0 3.0
   55    49    50    33   0.56750  1.0 1.0
   55    49    50    33  -0.07550 -1.0 2.0
   55    49    50    33   0.20000  1.0 3.0
   55    49    50    59   0.34400  1.0 1.0
   55    49    50    59   0.09450 -1.0 2.0
   55    49    50    59   0.11100  1.0 3.0
   55    49    50    61   0.62750  1.0 1.0
   55    49    50    61  -0.30950 -1.0 2.0
   55    49    50    61   0.27300  1.0 3.0
   55    49    51    52   0.15000  1.0 3.0
   55    49    51    53   0.15000  1.0 3.0
   55    49    51    54   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44  -0.95700  1.0 1.0
   40    33    37    44  -0.18200 -1.0 2.0
   40    33    37    44   0.29450  1.0 3.0
   40    33    50    49   0.56750  1.0 1.0
   40    33    50    49  -0.07550 -1.0 2.0
   40    33    50    49   0.20000  1.0 3.0
   40    33    50    59   0.34400  1.0 1.0
   40    33    50    59   0.09450 -1.0 2.0
   40    33    50    59   0.11100  1.0 3.0
   40    33    50    61   0.62750  1.0 1.0
   40    33    50    61  -0.30950 -1.0 2.0
   40    33    50    61   0.27300  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
   37    46    44    45  10.50000 -1.0 2.0
   50    60    59    62   1.10000 -1.0 2.0
   64    63    62    59   1.10000 -1.0 2.0
   62    67    64    65   1.10000 -1.0 2.0
   71    66    65    64   1.10000 -1.0 2.0
END
