* LIGAND DATABASE FILE (OPLS2005)
*
001      74    74    134    182     381
    1     0 S   NP   _N1_     1    31.86602    99.91858   -17.99796
    2     1 S   H    _HN1     2     1.02795   108.95965  -136.79327
    3     1 S   H    _H1_     3     1.02769    61.07563   122.49941
    4     1 S   H    _H2_     4     1.03478   143.10184    42.07259
    5     1 S   CT   _CA1     5     1.50302    53.67239   -33.07189
    6     5 S   HC   _HA1     6     1.09571   104.18999    85.43182
    7     5 S   CO3  _C1_     7     1.54016   114.07073   -30.81760
    8     7 S   O2Z  _O11     8     1.26496   115.06639    14.43228
    9     7 S   O2Z  _O12     9     1.26323   115.68065  -166.68654
   10     5 S   CT   _CB1    10     1.53323   107.06515  -156.54700
   11    10 S   HC   HB11    11     1.09509   110.19703   -11.42532
   12    10 S   HC   HB12    12     1.09774   111.11431   104.45320
   13    10 S   CT   _CG1    13     1.53059   112.30789  -133.21192
   14    13 S   HC   HG11    14     1.09526   110.73756   -74.27214
   15    13 S   HC   HG12    15     1.09622   111.21039    44.91357
   16    13 S   C    _CD1    16     1.51502   110.61916   164.77996
   17    16 S   O    _OE1    17     1.22858   121.92873   106.81765
   18    16 S   N    _N2_    18     1.38637   112.84705   -72.43108
   19    18 S   H    _HN2    19     1.02037   118.93670    -0.79130
   20    18 S   CT1  _CA2    20     1.46070   122.64738   177.71450
   21    20 S   HC   _HA2    21     1.09736   108.23908    33.21469
   22    20 S   C    _C2_    22     1.53213   109.74089   -83.21369
   23    22 S   O    _O2_    23     1.23184   120.88044   154.84292
   24    20 S   CT   _CB2    32     1.53324   112.13473   155.91606
   25    24 S   HC   HB21    33     1.09269   109.80943    61.29605
   26    24 S   HC   HB22    34     1.09558   110.27256   178.84580
   27    22 S   N    _N3_    24     1.38275   114.77027   -32.20002
   28    27 S   H    _HN3    25     1.01619   119.42981     2.01276
   29    24 S   S    _SG2    35     1.82759   110.85041   -61.87018
   30    27 S   CT   _CA3    26     1.45303   122.96358  -177.02744
   31    30 S   HC   HA31    27     1.09569   108.33683   -42.99011
   32    30 S   HC   HA32    28     1.09560   107.05373    73.27402
   33    29 S   CT   _C7_    36     1.84706   100.50615   150.77347
   34    33 S   HC   _H6_    37     1.09597   107.09923    50.19694
   35    30 S   CO3  _C3_    29     1.52976   114.77787  -165.27975
   36    35 S   O2Z  _O31    30     1.26292   116.45476     4.83926
   37    35 S   O2Z  _O32    31     1.26524   114.23867  -175.50142
   38    33 S   CT   _C8_    38     1.54998   111.44148   -69.28754
   39    38 S   HC   _H7_    39     1.09255   111.75041    47.02675
   40    38 S   CT   _C9_    40     1.53928   111.68374   -74.08032
   41    40 S   HC   _H8_    41     1.09694   108.18859    62.20934
   42    38 S   OS   _O37    70     1.43338   108.38678   164.55485
   43    40 S   CT   _C4_    42     1.53198   112.72428   -56.15108
   44    43 S   HC   _H3_    43     1.09583   110.03457   179.36357
   45    40 S   OS   _O33    65     1.42759   110.53857   179.97202
   46    42 S   P3   _P2_    71     1.65255   119.09465  -101.94411
   47    46 S   O2Z  _O39    72     1.52502   103.75390   174.49288
   48    46 S   O2Z  _O40    73     1.52574   104.95915    54.46034
   49    46 S   O2Z  _O38    74     1.52472   104.77193   -65.95560
   50    43 S   CT   _C5_    44     1.53543   108.59179    59.09340
   51    50 S   HC   _H4_    45     1.09730   107.28593    63.81166
   52    43 S   OH   _O52    63     1.42743   111.60952   -63.99866
   53    52 S   HO   _H10    64     0.97487   107.93124    57.73657
   54    45 S   P3   _P1_    66     1.65170   117.75294  -105.12063
   55    54 S   O2Z  _O35    67     1.52429   104.61024   177.14268
   56    54 S   O2Z  _O36    68     1.52615   104.83220    57.29125
   57    54 S   O2Z  _O34    69     1.52539   104.65690   -62.92010
   58    33 S   CT   _C6_    46     1.55343   108.78231   166.00674
   59    58 S   HC   _H5_    47     1.09660   109.76897   -44.06604
   60    50 S   OS   _O48    57     1.42405   109.04901  -179.27611
   61    58 S   OS   _O41    48     1.43556   108.83452  -160.77850
   62    60 S   P2   _P5_    58     1.63005   119.88042  -141.40566
   63    62 S   O2Z  _O51    59     1.51252   108.34545   103.24957
   64    62 S   O2Z  _O49    60     1.51171   110.91284   -31.72907
   65    61 S   P2   _P3_    49     1.64016   118.16374   114.35610
   66    65 S   O2Z  _O43    50     1.51377   108.08682   -69.13262
   67    65 S   O2Z  _O42    51     1.51462   108.59811    63.30599
   68    62 S   OS   _O50    61     1.63087    97.66023  -144.55643
   69    68 S   HO   _H9_    62     0.98620   114.74584    65.03746
   70    65 S   OS   _O44    52     1.62878    98.55749   176.97949
   71    70 S   P3   _P4_    53     1.64442   131.06532  -173.68428
   72    71 S   O2Z  _O46    54     1.52645   103.90494  -177.36411
   73    71 S   O2Z  _O47    55     1.52524   104.82609    63.11203
   74    71 S   O2Z  _O45    56     1.52492   104.94071   -57.54380
  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  10   5   4   3
  16   8   2   1   1  17   7  16   7   7  12   7   6   3   2   1
   1  12   6   3   1   3   2   1   1   8   3   6   5   4   3   2
   7   3   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    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    58    59    61    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    50    51    58    59    61    65    60    45    42    46  
   38    39    40    50    58    59    61    42  
   36    37  
   37  
    0  
   39    40    41    43    44    50    58    59    61    52    45    54    42    46    47    48    49  
   40    41    43    58    45    42    46  
   41    43    44    50    51    58    60    52    53    45    54    55    56    57    42    46  
   43    44    50    52    45    54    42  
   46    47    48    49    43    45    58  
   44    50    51    58    59    61    60    62    52    53    45    54  
   50    51    58    60    52    53    45  
   54    55    56    57    50    52  
   47    48    49  
   48    49  
   49  
    0  
   51    58    59    61    65    60    62    63    64    68    52    53  
   58    59    61    60    62    52  
   53    58    60  
    0  
   55    56    57  
   56    57  
   57  
    0  
   59    61    65    66    67    70    60    62  
   61    65    60  
   62    63    64    68    69    61  
   65    66    67    70    71  
   63    64    68    69  
   64    68    69  
   68    69  
   66    67    70    71    72    73    74  
   67    70    71  
   70    71  
   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   47   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   48   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   49   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   50   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   55   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   56   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   57   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   58   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   61   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   63   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   64   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   65   3.7400   0.2000   1.331700   2.1070   1.8700   0.005000000   0.000000000
   66   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   67   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   68   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   70   2.8500   0.1400  -0.494300   1.5900   1.4000   0.020110767  -0.896042159
   71   3.7400   0.2000   1.872500   2.1070   1.8700   0.005000000   0.000000000
   72   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   73   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   74   2.9800   0.2000  -1.119967   1.6890   1.4900   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    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   268.000  1.529
   33    58   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    45   320.000  1.410
   43    44   340.000  1.090
   43    50   268.000  1.529
   43    52   320.000  1.410
   50    51   340.000  1.090
   50    58   268.000  1.529
   50    60   320.000  1.410
   58    59   340.000  1.090
   58    61   320.000  1.410
   61    65   230.000  1.697
   65    66   525.000  1.480
   65    67   525.000  1.480
   65    70   230.000  1.697
   70    71   230.000  1.630
   71    72   525.000  1.516
   71    73   525.000  1.516
   71    74   525.000  1.516
   60    62   230.000  1.697
   62    63   525.000  1.480
   62    64   525.000  1.480
   62    68   230.000  1.697
   68    69   553.000  0.945
   52    53   553.000  0.945
   45    54   230.000  1.630
   54    55   525.000  1.516
   54    56   525.000  1.516
   54    57   525.000  1.516
   42    46   230.000  1.630
   46    47   525.000  1.516
   46    48   525.000  1.516
   46    49   525.000  1.516
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  111.63000
   29    33    58    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    58    50    58.35000  112.70000
   33    58    59    37.50000  110.70000
   33    58    61    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    45    50.00000  109.50000
   38    42    46    80.00000  112.68000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    50    58.35000  112.70000
   40    43    52    50.00000  109.50000
   40    45    54    80.00000  112.68000
   43    40    41    37.50000  110.70000
   43    50    51    37.50000  110.70000
   43    50    58    58.35000  112.70000
   43    50    60    50.00000  109.50000
   43    52    53    55.00000  108.50000
   50    43    44    37.50000  110.70000
   50    58    59    37.50000  110.70000
   50    58    61    50.00000  109.50000
   50    60    62   100.00000  120.50000
   58    33    34    37.50000  110.70000
   58    33    38    58.35000  112.70000
   58    50    51    37.50000  110.70000
   58    61    65   100.00000  120.50000
   61    58    59    35.00000  109.50000
   61    65    66   100.00000  108.23000
   61    65    67   100.00000  108.23000
   61    65    70    45.00000  102.60000
   65    70    71    45.00000  143.19000
   67    65    66   140.00000  119.90000
   70    65    66   100.00000  108.23000
   70    65    67   100.00000  108.23000
   70    71    72   100.00000  107.00000
   70    71    73   100.00000  107.00000
   70    71    74   100.00000  107.00000
   73    71    72   140.00000  114.00000
   74    71    72   140.00000  114.00000
   74    71    73   140.00000  114.00000
   60    50    51    35.00000  109.50000
   60    50    58    50.00000  109.50000
   60    62    63   100.00000  108.23000
   60    62    64   100.00000  108.23000
   60    62    68    45.00000  102.60000
   62    68    69    45.00000  108.50000
   64    62    63   140.00000  119.90000
   68    62    63   100.00000  108.23000
   68    62    64   100.00000  108.23000
   52    43    44    35.00000  109.50000
   52    43    50    50.00000  109.50000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   45    54    55   100.00000  107.00000
   45    54    56   100.00000  107.00000
   45    54    57   100.00000  107.00000
   56    54    55   140.00000  114.00000
   57    54    55   140.00000  114.00000
   57    54    56   140.00000  114.00000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    46    47   100.00000  107.00000
   42    46    48   100.00000  107.00000
   42    46    49   100.00000  107.00000
   48    46    47   140.00000  114.00000
   49    46    47   140.00000  114.00000
   49    46    48   140.00000  114.00000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   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   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    58    50   0.44750  1.0 1.0
   29    33    58    50  -0.17800 -1.0 2.0
   29    33    58    50   0.20200  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    61   0.56750  1.0 1.0
   29    33    58    61  -0.07550 -1.0 2.0
   29    33    58    61   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38    40    45   0.62750  1.0 1.0
   33    38    40    45  -0.30950 -1.0 2.0
   33    38    40    45   0.27300  1.0 3.0
   33    38    42    46  -2.65550  1.0 1.0
   33    38    42    46  -0.22350 -1.0 2.0
   33    38    42    46   0.24150  1.0 3.0
   33    58    61    65  -2.65550  1.0 1.0
   33    58    61    65  -0.22350 -1.0 2.0
   33    58    61    65   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    58    50   0.15000  1.0 3.0
   34    33    58    59   0.15000  1.0 3.0
   34    33    58    61   0.23400  1.0 3.0
   38    33    58    50   0.56750  1.0 1.0
   38    33    58    50  -0.07550 -1.0 2.0
   38    33    58    50   0.20000  1.0 3.0
   38    33    58    59   0.15000  1.0 3.0
   38    33    58    61   0.62750  1.0 1.0
   38    33    58    61  -0.30950 -1.0 2.0
   38    33    58    61   0.27300  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    50   0.56750  1.0 1.0
   38    40   -43    50  -0.07550 -1.0 2.0
   38    40   -43    50   0.20000  1.0 3.0
   38    40    43    52   0.86500  1.0 1.0
   38    40    43    52  -0.17500 -1.0 2.0
   38    40    43    52   0.20800  1.0 3.0
   38    40    45    54  -2.65550  1.0 1.0
   38    40    45    54  -0.22350 -1.0 2.0
   38    40    45    54   0.24150  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    49   0.00000  1.0 1.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    46   0.03000  1.0 3.0
   40    38    42    46  -2.65550  1.0 1.0
   40    38    42    46  -0.22350 -1.0 2.0
   40    38    42    46   0.24150  1.0 3.0
   40    43    50    51   0.15000  1.0 3.0
   40    43    50    58   0.56750  1.0 1.0
   40    43    50    58  -0.07550 -1.0 2.0
   40    43    50    58   0.20000  1.0 3.0
   40    43    50    60   0.62750  1.0 1.0
   40    43    50    60  -0.30950 -1.0 2.0
   40    43    50    60   0.27300  1.0 3.0
   40    43    52    53  -0.11600  1.0 1.0
   40    43    52    53  -0.09450 -1.0 2.0
   40    43    52    53   0.21250  1.0 3.0
   40    45    54    55   0.00000  1.0 1.0
   40    45    54    56   0.00000  1.0 1.0
   40    45    54    57   0.00000  1.0 1.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    50   0.15000  1.0 3.0
   41    40    43    52   0.23400  1.0 3.0
   41    40    45    54   0.03000  1.0 3.0
   43    40    45    54  -2.65550  1.0 1.0
   43    40    45    54  -0.22350 -1.0 2.0
   43    40    45    54   0.24150  1.0 3.0
   43    50   -58    33   0.56750  1.0 1.0
   43    50   -58    33  -0.07550 -1.0 2.0
   43    50   -58    33   0.20000  1.0 3.0
   43    50    58    59   0.15000  1.0 3.0
   43    50    58    61   0.62750  1.0 1.0
   43    50    58    61  -0.30950 -1.0 2.0
   43    50    58    61   0.27300  1.0 3.0
   43    50    60    62  -2.65550  1.0 1.0
   43    50    60    62  -0.22350 -1.0 2.0
   43    50    60    62   0.24150  1.0 3.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    58   0.15000  1.0 3.0
   44    43    50    60   0.23400  1.0 3.0
   44    43    52    53   0.19450  1.0 3.0
   50    43    52    53  -0.11600  1.0 1.0
   50    43    52    53  -0.09450 -1.0 2.0
   50    43    52    53   0.21250  1.0 3.0
   50    58    61    65  -2.65550  1.0 1.0
   50    58    61    65  -0.22350 -1.0 2.0
   50    58    61    65   0.24150  1.0 3.0
   50    60    62    63   0.00000  1.0 1.0
   50    60    62    64   0.00000  1.0 1.0
   50    60    62    68   0.05050  1.0 1.0
   50    60    62    68  -1.30700 -1.0 2.0
   50    60    62    68   0.91550  1.0 3.0
   51    50    58    33   0.15000  1.0 3.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    61   0.23400  1.0 3.0
   51    50    60    62   0.03000  1.0 3.0
   58    33    38    39   0.15000  1.0 3.0
   58    33   -38    40   0.56750  1.0 1.0
   58    33   -38    40  -0.07550 -1.0 2.0
   58    33   -38    40   0.20000  1.0 3.0
   58    33    38    42   0.62750  1.0 1.0
   58    33    38    42  -0.30950 -1.0 2.0
   58    33    38    42   0.27300  1.0 3.0
   58    50    60    62  -2.65550  1.0 1.0
   58    50    60    62  -0.22350 -1.0 2.0
   58    50    60    62   0.24150  1.0 3.0
   58    61    65    66   0.00000  1.0 1.0
   58    61    65    67   0.00000  1.0 1.0
   58    61    65    70   0.05050  1.0 1.0
   58    61    65    70  -1.30700 -1.0 2.0
   58    61    65    70   0.91550  1.0 3.0
   59    58    61    65   0.03000  1.0 3.0
   61    65    70    71   0.15000  1.0 3.0
   65    70    71    72   0.50000  1.0 3.0
   65    70    71    73   0.50000  1.0 3.0
   65    70    71    74   0.50000  1.0 3.0
   66    65    70    71   0.50000  1.0 3.0
   67    65    70    71   0.50000  1.0 3.0
   60    50    58    33   0.62750  1.0 1.0
   60    50    58    33  -0.30950 -1.0 2.0
   60    50    58    33   0.27300  1.0 3.0
   60    50    58    59   0.23400  1.0 3.0
   60    50    58    61   1.11900  1.0 1.0
   60    50    58    61  -1.16350 -1.0 2.0
   60    50    58    61  -0.34150  1.0 3.0
   60    62    68    69   0.00000  1.0 1.0
   63    62    68    69   0.00000  1.0 1.0
   64    62    68    69   0.00000  1.0 1.0
   52    43    50    51   0.23400  1.0 3.0
   52    43    50    58   0.86500  1.0 1.0
   52    43    50    58  -0.17500 -1.0 2.0
   52    43    50    58   0.20800  1.0 3.0
   52    43    50    60   3.69350  1.0 1.0
   52    43    50    60  -1.82950 -1.0 2.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    50   0.62750  1.0 1.0
   45    40    43    50  -0.30950 -1.0 2.0
   45    40    43    50   0.27300  1.0 3.0
   45    40    43    52   3.69350  1.0 1.0
   45    40    43    52  -1.82950 -1.0 2.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   1.11900  1.0 1.0
   42    38    40    45  -1.16350 -1.0 2.0
   42    38    40    45  -0.34150  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
   36    30    35    37  10.50000 -1.0 2.0
END
