* LIGAND DATABASE FILE (OPLS2005)
*
001      69    69    126    173     359
    1     0 S   NP   _N1_     1    32.09777    90.23674   -18.75795
    2     1 S   H    _HN1     2     1.03146   166.52854   110.04827
    3     1 S   H    _H1_     3     1.03512    61.44523    91.54052
    4     1 S   H    _H2_     4     1.02816    81.67035   -23.62513
    5     1 S   CT   _CA1     5     1.50055    71.70648  -140.10187
    6     5 S   HC   _HA1     6     1.09510   103.77205   140.71577
    7     5 S   CO3  _C1_     7     1.54457   111.89331    25.93182
    8     7 S   O2Z  _O11     8     1.26661   114.07919    50.95120
    9     7 S   O2Z  _O12     9     1.26120   116.86679  -129.27726
   10     5 S   CT   _CB1    10     1.53760   107.06908  -102.27314
   11    10 S   HC   HB11    11     1.09716   110.01813   -35.02481
   12    10 S   HC   HB12    12     1.09729   109.88403    81.16583
   13    10 S   CT   _CG1    13     1.53399   113.63832  -157.00948
   14    13 S   HC   HG11    14     1.09632   109.70055  -177.87754
   15    13 S   HC   HG12    15     1.09455   111.52044   -59.50822
   16    13 S   C    _CD1    16     1.51351   111.13084    61.88713
   17    16 S   O    _OE1    17     1.22883   121.68417  -106.46701
   18    16 S   N    _N2_    18     1.38199   113.11414    71.07963
   19    18 S   H    _HN2    19     1.02183   119.37113     9.40895
   20    18 S   CT1  _CA2    20     1.46085   123.07361  -165.71195
   21    20 S   HC   _HA2    21     1.09759   108.65270    14.80755
   22    20 S   C    _C2_    22     1.53606   111.19620  -101.89503
   23    22 S   O    _O2_    23     1.23178   121.69528  -153.03655
   24    20 S   CT   _CB2    32     1.53711   110.71612   135.21290
   25    24 S   HC   HB21    33     1.09140   107.72328    64.25737
   26    24 S   HC   HB22    34     1.09473   110.32769  -176.93254
   27    22 S   N    _N3_    24     1.38332   114.40897    34.83932
   28    27 S   H    _HN3    25     1.01420   119.09236    -0.97197
   29    24 S   S    _SG2    35     1.82636   112.07348   -55.61856
   30    27 S   CT   _CA3    26     1.45437   123.22221   175.82106
   31    30 S   HC   HA31    27     1.09549   108.90603    30.47330
   32    30 S   HC   HA32    28     1.09496   107.17314   147.30243
   33    29 S   CT   _C9_    36     1.85763   102.56024  -177.41896
   34    33 S   HC   _H8_    37     1.09502   102.83037    71.25367
   35    30 S   CO3  _C3_    29     1.52938   113.47226   -92.87587
   36    35 S   O2Z  _O31    30     1.26389   115.55636   -44.44700
   37    35 S   O2Z  _O32    31     1.26402   114.96444   136.67396
   38    33 S   CT   _C4_    38     1.54581   118.96981   -47.78663
   39    38 S   HC   _H3_    39     1.09824   107.00976   174.14951
   40    38 S   CT   _C5_    40     1.54073   113.56411   -67.77636
   41    40 S   HC   _H4_    41     1.09517   108.85232   178.88935
   42    38 S   OH   _O49    68     1.42067   112.89232    60.89862
   43    42 S   HO   _H9_    69     0.97148   107.58507    53.70192
   44    40 S   CT   _C6_    42     1.54682   108.86347   -60.99198
   45    44 S   HC   _H5_    43     1.09601   109.10706   176.18869
   46    40 S   OS   _O45    63     1.42505   110.16145    59.29438
   47    44 S   CT   _C7_    44     1.54996   112.55897    54.70404
   48    47 S   HC   _H6_    45     1.09774   109.06281  -167.62179
   49    44 S   OS   _O41    58     1.43317   108.66029   -63.65107
   50    46 S   P3   _P4_    64     1.64486   122.09843   111.01191
   51    50 S   O2Z  _O47    65     1.52813   103.33940  -167.10289
   52    50 S   O2Z  _O48    66     1.52418   104.60946    73.29367
   53    50 S   O2Z  _O46    67     1.52471   105.83172   -47.66989
   54    33 S   CT   _C8_    46     1.55470   110.55051  -172.67196
   55    54 S   HC   _H7_    47     1.09862   106.45957  -163.84967
   56    47 S   OS   _O37    53     1.43036   109.40846    74.38633
   57    49 S   P3   _P3_    59     1.64667   121.22584   -99.01651
   58    57 S   O2Z  _O43    60     1.52677   103.42132   177.36597
   59    57 S   O2Z  _O44    61     1.52413   105.15887    57.98149
   60    57 S   O2Z  _O42    62     1.52425   104.98653   -63.18545
   61    54 S   OS   _O33    48     1.42926   111.64886   -46.99661
   62    56 S   P3   _P2_    54     1.65468   119.07474   104.75956
   63    62 S   O2Z  _O39    55     1.52686   103.86547  -172.68337
   64    62 S   O2Z  _O40    56     1.52477   104.49111    68.63602
   65    62 S   O2Z  _O38    57     1.52303   105.63032   -52.58573
   66    61 S   P3   _P1_    49     1.64973   120.13864   -91.52913
   67    66 S   O2Z  _O35    50     1.52571   103.64748   176.90256
   68    66 S   O2Z  _O36    51     1.52556   105.18822    57.32534
   69    66 S   O2Z  _O34    52     1.52510   104.78383   -63.29146
  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  14   7  16   7   4   1  15   7   6  12   6
   6   3   2   1   1   8   3   5   3   2   1   1   4   3   2   1
   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    54    55    61    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    48    54    55    61    66    56    46    42    43  
   38    39    40    47    54    55    61    42  
   36    37  
   37  
    0  
   39    40    41    44    45    47    54    55    61    49    46    50    42    43  
   40    41    44    54    46    42    43  
   41    44    45    47    48    54    56    49    57    46    50    51    52    53    42    43  
   44    45    47    49    46    50    42  
   43    44    46    54  
    0  
   45    47    48    54    55    61    56    62    49    57    58    59    60    46    50  
   47    48    54    56    49    57    46  
   50    51    52    53    47    49  
   48    54    55    61    66    56    62    63    64    65    49    57  
   54    55    61    56    62    49  
   57    58    59    60    54    56  
   51    52    53  
   52    53  
   53  
    0  
   55    61    66    67    68    69    56    62  
   61    66    56  
   62    63    64    65    61  
   58    59    60  
   59    60  
   60  
    0  
   66    67    68    69  
   63    64    65  
   64    65  
   65  
    0  
   67    68    69  
   68    69  
   69  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   51   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   52   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   53   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   54   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   58   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   59   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   60   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   61   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   63   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   64   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   65   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   66   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   67   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   68   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   69   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    54   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    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    47   268.000  1.529
   44    49   320.000  1.410
   47    48   340.000  1.090
   47    54   268.000  1.529
   47    56   320.000  1.410
   54    55   340.000  1.090
   54    61   320.000  1.410
   61    66   230.000  1.630
   66    67   525.000  1.516
   66    68   525.000  1.516
   66    69   525.000  1.516
   56    62   230.000  1.630
   62    63   525.000  1.516
   62    64   525.000  1.516
   62    65   525.000  1.516
   49    57   230.000  1.630
   57    58   525.000  1.516
   57    59   525.000  1.516
   57    60   525.000  1.516
   46    50   230.000  1.630
   50    51   525.000  1.516
   50    52   525.000  1.516
   50    53   525.000  1.516
   42    43   553.000  0.945
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    54    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    54    47    58.35000  112.70000
   33    54    55    37.50000  110.70000
   33    54    61    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    47    58.35000  112.70000
   40    44    49    50.00000  109.50000
   40    46    50    80.00000  112.68000
   44    40    41    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    54    58.35000  112.70000
   44    47    56    50.00000  109.50000
   44    49    57    80.00000  112.68000
   47    44    45    37.50000  110.70000
   47    54    55    37.50000  110.70000
   47    54    61    50.00000  109.50000
   47    56    62    80.00000  112.68000
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    47    48    37.50000  110.70000
   54    61    66    80.00000  112.68000
   61    54    55    35.00000  109.50000
   61    66    67   100.00000  107.00000
   61    66    68   100.00000  107.00000
   61    66    69   100.00000  107.00000
   68    66    67   140.00000  114.00000
   69    66    67   140.00000  114.00000
   69    66    68   140.00000  114.00000
   56    47    48    35.00000  109.50000
   56    47    54    50.00000  109.50000
   56    62    63   100.00000  107.00000
   56    62    64   100.00000  107.00000
   56    62    65   100.00000  107.00000
   64    62    63   140.00000  114.00000
   65    62    63   140.00000  114.00000
   65    62    64   140.00000  114.00000
   49    44    45    35.00000  109.50000
   49    44    47    50.00000  109.50000
   49    57    58   100.00000  107.00000
   49    57    59   100.00000  107.00000
   49    57    60   100.00000  107.00000
   59    57    58   140.00000  114.00000
   60    57    58   140.00000  114.00000
   60    57    59   140.00000  114.00000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   46    50    51   100.00000  107.00000
   46    50    52   100.00000  107.00000
   46    50    53   100.00000  107.00000
   52    50    51   140.00000  114.00000
   53    50    51   140.00000  114.00000
   53    50    52   140.00000  114.00000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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    54    47   0.44750  1.0 1.0
   29    33    54    47  -0.17800 -1.0 2.0
   29    33    54    47   0.20200  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    61   0.56750  1.0 1.0
   29    33    54    61  -0.07550 -1.0 2.0
   29    33    54    61   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.62750  1.0 1.0
   33    38    40    46  -0.30950 -1.0 2.0
   33    38    40    46   0.27300  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    54    61    66  -2.65550  1.0 1.0
   33    54    61    66  -0.22350 -1.0 2.0
   33    54    61    66   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    54    47   0.15000  1.0 3.0
   34    33    54    55   0.15000  1.0 3.0
   34    33    54    61   0.23400  1.0 3.0
   38    33    54    47   0.56750  1.0 1.0
   38    33    54    47  -0.07550 -1.0 2.0
   38    33    54    47   0.20000  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    61   0.62750  1.0 1.0
   38    33    54    61  -0.30950 -1.0 2.0
   38    33    54    61   0.27300  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    47   0.56750  1.0 1.0
   38    40   -44    47  -0.07550 -1.0 2.0
   38    40   -44    47   0.20000  1.0 3.0
   38    40    44    49   0.62750  1.0 1.0
   38    40    44    49  -0.30950 -1.0 2.0
   38    40    44    49   0.27300  1.0 3.0
   38    40    46    50  -2.65550  1.0 1.0
   38    40    46    50  -0.22350 -1.0 2.0
   38    40    46    50   0.24150  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    47    48   0.15000  1.0 3.0
   40    44    47    54   0.56750  1.0 1.0
   40    44    47    54  -0.07550 -1.0 2.0
   40    44    47    54   0.20000  1.0 3.0
   40    44    47    56   0.62750  1.0 1.0
   40    44    47    56  -0.30950 -1.0 2.0
   40    44    47    56   0.27300  1.0 3.0
   40    44    49    57  -2.65550  1.0 1.0
   40    44    49    57  -0.22350 -1.0 2.0
   40    44    49    57   0.24150  1.0 3.0
   40    46    50    51   0.00000  1.0 1.0
   40    46    50    52   0.00000  1.0 1.0
   40    46    50    53   0.00000  1.0 1.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   41    40    44    49   0.23400  1.0 3.0
   41    40    46    50   0.03000  1.0 3.0
   44    40    46    50  -2.65550  1.0 1.0
   44    40    46    50  -0.22350 -1.0 2.0
   44    40    46    50   0.24150  1.0 3.0
   44    47   -54    33   0.56750  1.0 1.0
   44    47   -54    33  -0.07550 -1.0 2.0
   44    47   -54    33   0.20000  1.0 3.0
   44    47    54    55   0.15000  1.0 3.0
   44    47    54    61   0.62750  1.0 1.0
   44    47    54    61  -0.30950 -1.0 2.0
   44    47    54    61   0.27300  1.0 3.0
   44    47    56    62  -2.65550  1.0 1.0
   44    47    56    62  -0.22350 -1.0 2.0
   44    47    56    62   0.24150  1.0 3.0
   44    49    57    58   0.00000  1.0 1.0
   44    49    57    59   0.00000  1.0 1.0
   44    49    57    60   0.00000  1.0 1.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    54   0.15000  1.0 3.0
   45    44    47    56   0.23400  1.0 3.0
   45    44    49    57   0.03000  1.0 3.0
   47    44    49    57  -2.65550  1.0 1.0
   47    44    49    57  -0.22350 -1.0 2.0
   47    44    49    57   0.24150  1.0 3.0
   47    54    61    66  -2.65550  1.0 1.0
   47    54    61    66  -0.22350 -1.0 2.0
   47    54    61    66   0.24150  1.0 3.0
   47    56    62    63   0.00000  1.0 1.0
   47    56    62    64   0.00000  1.0 1.0
   47    56    62    65   0.00000  1.0 1.0
   48    47    54    33   0.15000  1.0 3.0
   48    47    54    55   0.15000  1.0 3.0
   48    47    54    61   0.23400  1.0 3.0
   48    47    56    62   0.03000  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33   -38    40   0.56750  1.0 1.0
   54    33   -38    40  -0.07550 -1.0 2.0
   54    33   -38    40   0.20000  1.0 3.0
   54    33    38    42   0.86500  1.0 1.0
   54    33    38    42  -0.17500 -1.0 2.0
   54    33    38    42   0.20800  1.0 3.0
   54    47    56    62  -2.65550  1.0 1.0
   54    47    56    62  -0.22350 -1.0 2.0
   54    47    56    62   0.24150  1.0 3.0
   54    61    66    67   0.00000  1.0 1.0
   54    61    66    68   0.00000  1.0 1.0
   54    61    66    69   0.00000  1.0 1.0
   55    54    61    66   0.03000  1.0 3.0
   56    47    54    33   0.62750  1.0 1.0
   56    47    54    33  -0.30950 -1.0 2.0
   56    47    54    33   0.27300  1.0 3.0
   56    47    54    55   0.23400  1.0 3.0
   56    47    54    61   1.11900  1.0 1.0
   56    47    54    61  -1.16350 -1.0 2.0
   56    47    54    61  -0.34150  1.0 3.0
   49    44    47    48   0.23400  1.0 3.0
   49    44    47    54   0.62750  1.0 1.0
   49    44    47    54  -0.30950 -1.0 2.0
   49    44    47    54   0.27300  1.0 3.0
   49    44    47    56   1.11900  1.0 1.0
   49    44    47    56  -1.16350 -1.0 2.0
   49    44    47    56  -0.34150  1.0 3.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    47   0.62750  1.0 1.0
   46    40    44    47  -0.30950 -1.0 2.0
   46    40    44    47   0.27300  1.0 3.0
   46    40    44    49   1.11900  1.0 1.0
   46    40    44    49  -1.16350 -1.0 2.0
   46    40    44    49  -0.34150  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   3.69350  1.0 1.0
   42    38    40    46  -1.82950 -1.0 2.0
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
