* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    133    209     379
    1     0 S   NP   _N1_     1    28.17964    96.29955   -25.36643
    2     1 S   H    _HN1     2     1.02837    30.07874   177.28964
    3     1 S   H    _H1_     3     1.02778   117.79403  -105.27607
    4     1 S   H    _H2_     4     1.02958    77.00220    -1.20252
    5     1 S   CT   _CA1     5     1.50149   123.67274   104.82490
    6     5 S   HC   _HA1     6     1.09577   105.18590    89.96468
    7     5 S   CO3  _C1_     7     1.53761   112.27503   -30.17354
    8     7 S   O2Z  _O11     8     1.26368   114.98898   -45.26436
    9     7 S   O2Z  _O12     9     1.26224   114.91103   133.62809
   10     5 S   CT   _CB1    10     1.53077   107.40048  -152.18632
   11    10 S   HC   HB11    11     1.09834   109.26655   -50.36215
   12    10 S   HC   HB12    12     1.09814   110.46473    66.16060
   13    10 S   CT   _CG1    13     1.53055   112.73162  -171.40120
   14    13 S   HC   HG11    14     1.09587   110.55961   -65.74241
   15    13 S   HC   HG12    15     1.09659   109.86930    53.49434
   16    13 S   C    _CD1    16     1.51865   112.14902   173.82257
   17    16 S   O    _OE1    17     1.22781   123.22223     4.00663
   18    16 S   N    _N2_    18     1.38570   111.88497  -175.99200
   19    18 S   H    _HN2    19     1.01575   119.14464     3.39385
   20    18 S   CT1  _CA2    20     1.45812   122.68295   177.17520
   21    20 S   HC   _HA2    21     1.09741   108.81364    26.44964
   22    20 S   C    _C2_    22     1.52990   107.04395   -90.48789
   23    22 S   O    _O2_    23     1.22977   123.10424   -26.38196
   24    20 S   CT   _CB2    32     1.53195   112.48728   149.60637
   25    24 S   HC   HB21    33     1.09596   110.30981    54.82451
   26    24 S   HC   HB22    34     1.09410   109.85084   173.65613
   27    22 S   N    _N3_    24     1.38512   112.54401   156.27512
   28    27 S   H    _HN3    25     1.01656   120.36102    -2.23887
   29    24 S   S    _SG2    35     1.82476   111.23997   -65.85143
   30    27 S   CT   _CA3    26     1.45362   122.49292   178.62584
   31    30 S   HC   HA31    27     1.09567   107.84625   -55.00660
   32    30 S   HC   HA32    28     1.09562   107.58449    61.33986
   33    29 S   CT   _C17    36     1.83772    99.58500  -179.95577
   34    33 S   HC   _H5_    37     1.09660   105.91915   -42.59182
   35    30 S   CO3  _C3_    29     1.52891   114.30252  -176.93107
   36    35 S   O2Z  _O31    30     1.26337   116.04140     0.01978
   37    35 S   O2Z  _O32    31     1.26431   114.41997   179.95577
   38    33 S   CM   _C15    38     1.50958   110.07237  -159.69568
   39    38 S   N4   _N7_    39     1.35648   117.42644   -83.10868
   40    38 S   CMA  _C16    72     1.51617   119.08417   108.37561
   41    40 S   OM   _O37    73     1.26229   120.33628  -103.55205
   42    40 S   OM   _O38    74     1.26309   120.55101    75.49642
   43    39 S   C4   _C14    40     1.34848   137.92163  -166.93091
   44    43 S   O    _O36    41     1.20911   134.16687    -3.10633
   45    39 S   C4T  _C13    44     1.44784   124.16277    13.40146
   46    45 S   HC   _H4_    45     1.09630   112.80850    72.99745
   47    43 S   C4T  _C12    42     1.56064    89.90365   174.42916
   48    47 S   HC   _H3_    43     1.09624   113.11778   118.73045
   49    45 S   S    _S2_    46     1.81836   112.19894   -56.68676
   50    33 S   CT   _C18    47     1.53986   113.80744    75.41286
   51    50 S   HC   _H13    48     1.09730   108.32158  -169.03052
   52    50 S   HC   _H14    49     1.09449   111.18858   -53.16956
   53    47 S   N    _N6_    50     1.47769   114.19008  -112.57730
   54    53 S   H    _H12    51     1.01861   119.05321   107.19681
   55    53 S   C    _C11    52     1.38299   122.51744   -73.05622
   56    55 S   O    _O35    53     1.22669   126.04420    -1.93927
   57    55 S   CM   _C7_    54     1.49272   112.75947   175.99865
   58    57 S   C5B  _C5_    55     1.43669   118.26296  -100.99997
   59    57 S   CM   _C8_    64     1.34845   117.38347    79.59806
   60    59 S   HC   _H9_    65     1.09016   118.38848   179.87489
   61    58 S   C5A  _C4_    56     1.38066   125.54249     6.58791
   62    61 S   HA   _H6_    57     1.08168   129.45974    -0.06561
   63    59 S   CT   _C9_    66     1.50301   127.84398     1.18680
   64    63 S   HC   _H10    67     1.09622   109.14703   127.40673
   65    63 S   HC   _H11    68     1.09432   113.38527     8.85237
   66    61 S   SA   _S1_    58     1.71286   109.83193   179.77971
   67    63 S   CO3  _C10    69     1.52591   108.03287  -112.91256
   68    67 S   O2Z  _O34    70     1.26354   115.19649   -94.54281
   69    67 S   O2Z  _O33    71     1.26380   115.13611    86.08934
   70    66 S   CRA  _C6_    59     1.72406    89.93815    -0.07402
   71    58 S   N5B  _N4_    60     1.38515   119.54256  -173.78953
   72    70 S   NE   _N5_    61     1.34667   120.31919  -180.00000
   73    72 S   H    _H7_    62     1.01408   121.40435   179.93147
   74    72 S   H    _H8_    63     1.01386   121.99554     0.00000
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  12   7   2   1   1  13  12   5   1   1   9   4  10   5   8   4
   4   2   1   1   6   3   8   3  12   9   9   4   5   3   5   4
   3   5   2   1   1   4   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    50    51    52    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    45    49    50    51    52    40    41    42  
   38    39    49    50    51    52    40  
   36    37  
   37  
    0  
   39    43    44    47    45    46    49    50    51    52    40    41    42  
   43    44    47    48    45    46    49    50    53    40    41    42  
   41    42    43    45    50  
   42  
    0  
   44    47    48    45    46    49    53    54    55  
   47    48    45    53  
   46    49    50    51    52    53    54    55    47    48  
   49    50    53    47    48  
   48    49    50    53    54    55    56    57  
   49    53    54    55  
   50    51    52    53  
   51    52  
   52  
    0  
   54    55    56    57    58    59  
   55    56    57  
   56    57    58    61    71    59    60    63  
   57    58    59  
   58    61    62    66    70    71    59    60    63    64    65    67  
   61    62    66    70    71    72    59    60    63  
   60    63    64    65    67    68    69    61    71  
   63    64    65    67  
   62    66    70    71    72  
   66    70    71  
   64    65    67    68    69  
   65    67    68    69  
   67    68    69  
   70    71    72    73    74  
   68    69  
   69  
    0  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    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  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   40   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   50   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   54   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   55   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   57   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   67   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   70   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   71   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   72   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   73   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   74   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    50   268.000  1.529
   38    39   400.000  1.384
   38    40   465.000  1.376
   39    43   440.000  1.369
   39    45   305.000  1.456
   43    44   930.000  1.212
   43    47   250.000  1.540
   47    48   340.000  1.090
   47    45   268.000  1.529
   47    53   337.000  1.449
   45    46   340.000  1.090
   45    49   200.000  1.824
   49    50   222.000  1.810
   50    51   340.000  1.090
   50    52   340.000  1.090
   53    54   434.000  1.010
   53    55   490.000  1.335
   55    56   570.000  1.229
   55    57   410.000  1.444
   57    58   320.000  1.460
   57    59   549.000  1.340
   58    61   520.000  1.370
   58    71   410.000  1.394
   61    62   367.000  1.080
   61    66   265.000  1.745
   66    70   250.000  1.765
   70    71   488.000  1.335
   70    72   420.000  1.385
   72    73   434.000  1.010
   72    74   434.000  1.010
   59    60   340.000  1.080
   59    63   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   317.000  1.522
   67    68   656.000  1.250
   67    69   656.000  1.250
   40    41   745.000  1.250
   40    42   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    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    50    75.00000  111.63000
   33    38    39    70.00000  113.82800
   33    38    40    70.00000  124.00000
   33    50    49    75.00000  111.63000
   33    50    51    37.50000  110.70000
   33    50    52    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    39    43    50.00000  132.10000
   38    39    45    50.00000  132.70000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  137.10300
   39    43    44    75.00000  131.60000
   39    43    47    95.00000   92.72400
   39    45    47   105.00000   87.49700
   39    45    46    50.00000  112.01000
   39    45    49    80.00000  108.62000
   43    47    48    40.00000  113.37500
   43    47    45   100.00000   86.36000
   43    47    53    75.00000  110.24000
   47    43    44    60.00000  136.58000
   47    45    46    37.50000  110.70000
   47    45    49    65.00000  119.05700
   47    53    54    38.00000  118.40000
   47    53    55    50.00000  121.90000
   45    39    43   100.00000   93.00000
   45    47    48    37.50000  110.70000
   45    49    50    85.00000   99.86700
   49    45    46    45.00000  109.41400
   49    50    51    35.00000  109.50000
   49    50    52    35.00000  109.50000
   50    33    34    37.50000  110.70000
   50    33    38    70.00000  112.02700
   52    50    51    33.00000  107.80000
   53    47    48    50.00000  112.01000
   53    47    45    80.00000  110.05700
   53    55    56    80.00000  122.90000
   53    55    57    80.00000  111.56200
   55    53    54    35.00000  119.80000
   55    57    58    75.00000  114.44000
   55    57    59    70.00000  118.70000
   57    55    56    80.00000  125.30000
   57    58    61    60.00000  120.93500
   57    58    71    70.00000  118.40000
   57    59    60    35.00000  120.00000
   57    59    63    70.00000  124.00000
   58    61    62    35.00000  130.70000
   58    61    66    80.00000  111.29200
   58    71    70    70.00000  110.00000
   61    66    70   120.00000   89.04400
   66    61    62    40.00000  122.38200
   66    70    71    80.00000  114.57700
   66    70    72    70.00000  122.29500
   70    72    73    35.00000  113.50000
   70    72    74    35.00000  113.50000
   71    58    61    70.00000  111.00000
   72    70    71    75.00000  125.31200
   74    72    73    35.00000  109.00000
   59    57    58    60.00000  123.20500
   59    63    64    35.00000  109.50000
   59    63    65    35.00000  109.50000
   59    63    67    65.00000  111.94000
   63    59    60    35.00000  117.00000
   63    67    68    70.00000  117.00000
   63    67    69    70.00000  117.00000
   65    63    64    33.00000  107.80000
   67    63    64    35.00000  109.50000
   67    63    65    35.00000  109.50000
   69    67    68    80.00000  126.00000
   40    38    39    75.00000  120.83300
   42    40    41    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    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    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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.09700  1.0 1.0
   29    33    38    39   0.15600 -1.0 2.0
   29    33    38    39  -0.50800  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    50    49   0.56750  1.0 1.0
   29    33    50    49  -0.07550 -1.0 2.0
   29    33    50    49   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    52   0.15000  1.0 3.0
   33    38    39    43   0.00000  1.0 1.0
   33    38    39    45   0.00000  1.0 1.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   34    33    38    39  -0.18050  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    50    49   0.15000  1.0 3.0
   34    33    50    51   0.15000  1.0 3.0
   34    33    50    52   0.15000  1.0 3.0
   38    33    50    49   0.56750  1.0 1.0
   38    33    50    49  -0.07550 -1.0 2.0
   38    33    50    49   0.20000  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    52   0.15000  1.0 3.0
   38    39    43    44   3.00000 -1.0 2.0
   38    39    43    47   3.00000 -1.0 2.0
   38    39   -45    47   0.00000  1.0 1.0
   38    39    45    46   0.00000  1.0 1.0
   38    39   -45    49   0.00000  1.0 1.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   39    43    47    48   0.00000  1.0 1.0
   39    43   -47    45   3.00000 -1.0 2.0
   39    43    47    53   0.00000  1.0 1.0
   39    45    49    50   0.01700  1.0 1.0
   39    45    49    50  -0.23550 -1.0 2.0
   39    45    49    50   0.21350  1.0 3.0
   43    39   -45    47   0.00000  1.0 1.0
   43    39    45    46   0.00000  1.0 1.0
   43    39    45    49   0.00000  1.0 1.0
   43    47   -45    39   3.00000 -1.0 2.0
   43    47   -45    46   0.15000  1.0 3.0
   43    47   -45    49   0.00000  1.0 1.0
   43    47    53    54   0.00000  1.0 1.0
   43    47    53    55  -0.42300  1.0 1.0
   43    47    53    55  -0.07000 -1.0 2.0
   43    47    53    55   0.04150  1.0 3.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    45  -0.11250  1.0 1.0
   44    43    47    45   0.11400 -1.0 2.0
   44    43    47    45  -0.28950  1.0 3.0
   44    43    47    53   0.30150 -1.0 2.0
   47    45    49    50   0.25150  1.0 1.0
   47    45    49    50  -1.17200 -1.0 2.0
   47    45    49    50   0.53050  1.0 3.0
   47    53    55    56   3.04450 -1.0 2.0
   47    53    55    57   1.49850  1.0 1.0
   47    53    55    57   1.53950 -1.0 2.0
   48    47   -45    39   0.15000  1.0 3.0
   48    47    45    46   0.15000  1.0 3.0
   48    47    45    49   0.00000  1.0 1.0
   48    47    53    54   0.00000  1.0 1.0
   48    47    53    55   0.00000  1.0 1.0
   45    39   -43    44   3.00000 -1.0 2.0
   45    39   -43    47   3.00000 -1.0 2.0
   45    47    53    54   0.00000  1.0 1.0
   45    47    53    55  -0.43950  1.0 1.0
   45    47    53    55  -0.08100 -1.0 2.0
   45    47    53    55   0.03350  1.0 3.0
   45    49   -50    33  -0.25000 -1.0 2.0
   45    49   -50    33  -0.01800  1.0 3.0
   45    49    50    51   0.32350  1.0 3.0
   45    49    50    52   0.32350  1.0 3.0
   46    45    49    50   0.00000  1.0 1.0
   50    33   -38    39  -0.93550  1.0 1.0
   50    33   -38    39   0.38900 -1.0 2.0
   50    33   -38    39   0.16950  1.0 3.0
   50    33    38    40   0.09850  1.0 1.0
   50    33    38    40   0.15250 -1.0 2.0
   50    33    38    40  -0.50650  1.0 3.0
   53    47   -45    39   2.20050  1.0 1.0
   53    47   -45    39   0.63450 -1.0 2.0
   53    47   -45    39  -0.91300  1.0 3.0
   53    47    45    46   0.15000  1.0 3.0
   53    47    45    49   0.00000  1.0 1.0
   53    55    57    58   1.50000 -1.0 2.0
   53    55    57    59   0.49500  1.0 1.0
   53    55    57    59   1.31600 -1.0 2.0
   53    55    57    59  -0.02300  1.0 3.0
   54    53    55    56   2.45000 -1.0 2.0
   54    53    55    57   2.56700 -1.0 2.0
   55    57    58    61  -0.01750  1.0 1.0
   55    57    58    61  -0.32000 -1.0 2.0
   55    57    58    61   0.00600  1.0 3.0
   55    57    58    71  -0.01750  1.0 1.0
   55    57    58    71  -0.32000 -1.0 2.0
   55    57    58    71   0.00600  1.0 3.0
   55    57    59    60   7.00000 -1.0 2.0
   55    57    59    63   7.00000 -1.0 2.0
   56    55    57    58  -0.52200  1.0 1.0
   56    55    57    58   0.82950 -1.0 2.0
   56    55    57    59   1.00000 -1.0 2.0
   57    58    61    62   3.62500 -1.0 2.0
   57    58    61    66   3.62500 -1.0 2.0
   57    58    71    70   3.62500 -1.0 2.0
   57    59    63    64   0.00000  1.0 1.0
   57    59    63    65   0.00000  1.0 1.0
   57    59    63    67  -0.51250  1.0 1.0
   57    59    63    67  -0.88800 -1.0 2.0
   57    59    63    67   0.08850  1.0 3.0
   58    57    59    60   7.00000 -1.0 2.0
   58    57    59    63   7.00000 -1.0 2.0
   58    61   -66    70   3.62500 -1.0 2.0
   61    58   -71    70   2.40000 -1.0 2.0
   61    66   -70    71   3.62500 -1.0 2.0
   61    66    70    72   3.62500 -1.0 2.0
   62    61    66    70   3.62500 -1.0 2.0
   66    70   -71    58   3.62500 -1.0 2.0
   66    70    72    73   0.47600 -1.0 2.0
   66    70    72    74   0.47600 -1.0 2.0
   71    58    61    62   3.62500 -1.0 2.0
   71    58   -61    66   3.62500 -1.0 2.0
   71    70    72    73   1.75000 -1.0 2.0
   71    70    72    74   1.75000 -1.0 2.0
   72    70    71    58   3.62500 -1.0 2.0
   59    57    58    61   0.15800  1.0 1.0
   59    57    58    61   1.85350 -1.0 2.0
   59    57    58    61  -0.48700  1.0 3.0
   59    57    58    71   0.11450  1.0 1.0
   59    57    58    71   1.85100 -1.0 2.0
   59    57    58    71  -0.49050  1.0 3.0
   59    63    67    68   0.30150 -1.0 2.0
   59    63    67    69   0.30150 -1.0 2.0
   60    59    63    64   0.33100  1.0 3.0
   60    59    63    65   0.33100  1.0 3.0
   60    59    63    67   0.00000  1.0 1.0
   64    63    67    68   0.00000  1.0 1.0
   64    63    67    69   0.00000  1.0 1.0
   65    63    67    68   0.00000  1.0 1.0
   65    63    67    69   0.00000  1.0 1.0
   40    38    39    43   0.00000  1.0 1.0
   40    38    39    45   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    39    38    40   1.10000 -1.0 2.0
   45    43    39    38   1.00000 -1.0 2.0
   39    47    43    44  10.50000 -1.0 2.0
   54    55    53    47   1.00000 -1.0 2.0
   53    57    55    56  10.50000 -1.0 2.0
   55    58    57    59  15.00000 -1.0 2.0
   61    71    58    57   4.00000 -1.0 2.0
   66    62    61    58   1.10000 -1.0 2.0
   71    72    70    66   4.00000 -1.0 2.0
   74    70    72    73   1.00000 -1.0 2.0
   63    60    59    57  15.00000 -1.0 2.0
   68    63    67    69  10.50000 -1.0 2.0
   41    42    40    38   1.10000 -1.0 2.0
END
