* LIGAND DATABASE FILE (OPLS2005)
*
001      67    67    121    173     352
    1     0 S   NP   _N1_     1    30.52103    92.67652   -16.07340
    2     1 S   H    _HN1     2     1.03663   121.94523   133.69971
    3     1 S   H    _H1_     3     1.02736    30.88893    64.86173
    4     1 S   H    _H2_     4     1.03175   122.20449    -5.24049
    5     1 S   CT   _CA1     5     1.50086    80.72674  -116.92636
    6     5 S   HC   _HA1     6     1.09701   104.64161    62.18676
    7     5 S   CO3  _C1_     7     1.54293   111.14158   -53.68402
    8     7 S   O2Z  _O11     8     1.26060   116.71712  -112.20925
    9     7 S   O2Z  _O12     9     1.26615   113.88728    67.01675
   10     5 S   CT   _CB1    10     1.53074   106.87013   177.66133
   11    10 S   HC   HB11    11     1.09855   109.09422   -49.42762
   12    10 S   HC   HB12    12     1.09772   110.18818    66.62504
   13    10 S   CT   _CG1    13     1.53249   113.00106  -170.59454
   14    13 S   HC   HG11    14     1.09488   111.46928   -77.36619
   15    13 S   HC   HG12    15     1.09623   110.52152    42.13651
   16    13 S   C    _CD1    16     1.51483   110.84603   161.47222
   17    16 S   O    _OE1    17     1.22884   121.49857  -112.41787
   18    16 S   N    _N2_    18     1.38322   113.14136    66.73216
   19    18 S   H    _HN2    19     1.01597   119.31604     6.41292
   20    18 S   CT1  _CA2    20     1.45895   123.05168  -173.36029
   21    20 S   HC   _HA2    21     1.09701   109.23621    -4.71891
   22    20 S   C    _C2_    22     1.52726   107.42319  -122.18709
   23    22 S   O    _O2_    23     1.22949   122.94347   -23.21693
   24    20 S   CT   _CB2    32     1.53583   111.93897   117.55370
   25    24 S   HC   HB21    33     1.09501   109.92532    61.64211
   26    24 S   HC   HB22    34     1.09509   110.01566  -179.64282
   27    22 S   N    _N3_    24     1.38636   112.41780   159.43420
   28    27 S   H    _HN3    25     1.01518   119.70526     0.89329
   29    24 S   S    _SG2    35     1.82552   111.05502   -58.95090
   30    27 S   CT   _CA3    26     1.45410   122.64082   175.23774
   31    30 S   HC   HA31    27     1.09553   108.72004    34.49214
   32    30 S   HC   HA32    28     1.09475   107.20900   151.58467
   33    29 S   CT   _C8_    36     1.84954   100.62011  -166.72280
   34    33 S   HC   _H7_    37     1.09483   104.74142    54.62449
   35    30 S   CO3  _C3_    29     1.53092   113.86376   -88.28666
   36    35 S   O2Z  _O31    30     1.26348   115.99159   -27.42787
   37    35 S   O2Z  _O32    31     1.26441   114.55460   153.41097
   38    33 S   CT   _C7_    38     1.54512   111.74765   -65.10971
   39    38 S   HC   _H6_    39     1.09529   112.63239    11.44639
   40    38 S   CT   _C6_    40     1.54091   113.64164  -113.02637
   41    40 S   HC   _H5_    41     1.09700   109.32376   -76.19210
   42    38 S   OH   _O37    66     1.43581   108.49467   127.45126
   43    42 S   HO   _H9_    67     0.97263   107.41291   -61.56401
   44    40 S   CT   _C5_    42     1.53647   111.27077    46.06236
   45    44 S   HC   _H4_    43     1.09332   109.01353   179.16984
   46    40 S   OS   _O38    60     1.43144   107.21048   168.10658
   47    44 S   CT   _C4_    44     1.54104   111.59559   -58.60280
   48    47 S   HC   _H3_    45     1.09515   111.61906   136.91914
   49    44 S   OS   _O42    55     1.43177   107.67975    61.80512
   50    46 S   P2   _P2_    61     1.63074   121.32904   165.52034
   51    50 S   O2Z  _O41    62     1.51318   108.10645  -143.08294
   52    50 S   O2Z  _O39    63     1.51158   111.07440    -8.64013
   53    33 S   CT   _C9_    46     1.54355   110.27108   170.91358
   54    53 S   HC   _H8_    47     1.09778   108.74245  -172.09992
   55    47 S   OH   _O46    53     1.43323   108.51149  -106.74246
   56    55 S   HO   _H11    54     0.97310   106.86637   -63.84824
   57    49 S   P3   _P3_    56     1.64762   120.25406   147.21375
   58    57 S   O2Z  _O44    57     1.52583   103.54948  -166.51436
   59    57 S   O2Z  _O45    58     1.52518   104.80868    74.51544
   60    57 S   O2Z  _O43    59     1.52454   105.39207   -46.67968
   61    50 S   OS   _O40    64     1.62909    98.66206   105.12879
   62    61 S   HO   _H10    65     0.98585   117.94948   -70.98613
   63    53 S   OS   _O33    48     1.43172   110.73989   -54.47443
   64    63 S   P3   _P1_    49     1.64961   119.85657   -96.70414
   65    64 S   O2Z  _O35    50     1.52541   103.53811   177.37818
   66    64 S   O2Z  _O36    51     1.52520   104.89059    57.67881
   67    64 S   O2Z  _O34    52     1.52515   104.73678   -62.94117
  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   7   9   6
   6   4   3   2   8   3   2   1   3   2   1   1   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    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    53    54    63    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    48    53    54    63    64    55    46    42    43  
   38    39    40    47    53    54    63    42  
   36    37  
   37  
    0  
   39    40    41    44    45    47    53    54    63    49    46    50    42    43  
   40    41    44    53    46    42    43  
   41    44    45    47    48    53    55    49    57    46    50    51    52    61    42    43  
   44    45    47    49    46    50    42  
   43    44    46    53  
    0  
   45    47    48    53    54    63    55    56    49    57    58    59    60    46    50  
   47    48    53    55    49    57    46  
   50    51    52    61    62    47    49  
   48    53    54    63    64    55    56    49    57  
   53    54    63    55    56    49  
   57    58    59    60    53    55  
   51    52    61    62  
   52    61    62  
   61    62  
   54    63    64    65    66    67    55    56  
   63    64    55  
   56    63  
    0  
   58    59    60  
   59    60  
   60  
    0  
   62  
    0  
   64    65    66    67  
   65    66    67  
   66    67  
   67  
    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  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5000   0.0660   0.205000   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   1.662500   2.1070   1.8700   0.005000000   0.000000000
   51   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   52   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   53   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   63   2.8500   0.1400  -0.760000   1.5900   1.4000   0.020110767  -0.896042159
   64   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   65   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   66   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   67   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    53   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    53   268.000  1.529
   47    55   320.000  1.410
   53    54   340.000  1.090
   53    63   320.000  1.410
   63    64   230.000  1.630
   64    65   525.000  1.516
   64    66   525.000  1.516
   64    67   525.000  1.516
   55    56   553.000  0.945
   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  1.697
   50    51   525.000  1.480
   50    52   525.000  1.480
   50    61   230.000  1.697
   61    62   553.000  0.945
   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    53    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    53    47    58.35000  112.70000
   33    53    54    37.50000  110.70000
   33    53    63    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   100.00000  120.50000
   44    40    41    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    53    58.35000  112.70000
   44    47    55    50.00000  109.50000
   44    49    57    80.00000  112.68000
   47    44    45    37.50000  110.70000
   47    53    54    37.50000  110.70000
   47    53    63    50.00000  109.50000
   47    55    56    55.00000  108.50000
   53    33    34    37.50000  110.70000
   53    33    38    58.35000  112.70000
   53    47    48    37.50000  110.70000
   53    63    64    80.00000  112.68000
   63    53    54    35.00000  109.50000
   63    64    65   100.00000  107.00000
   63    64    66   100.00000  107.00000
   63    64    67   100.00000  107.00000
   66    64    65   140.00000  114.00000
   67    64    65   140.00000  114.00000
   67    64    66   140.00000  114.00000
   55    47    48    35.00000  109.50000
   55    47    53    50.00000  109.50000
   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  108.23000
   46    50    52   100.00000  108.23000
   46    50    61    45.00000  102.60000
   50    61    62    45.00000  108.50000
   52    50    51   140.00000  119.90000
   61    50    51   100.00000  108.23000
   61    50    52   100.00000  108.23000
   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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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    53    47   0.44750  1.0 1.0
   29    33    53    47  -0.17800 -1.0 2.0
   29    33    53    47   0.20200  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    63   0.56750  1.0 1.0
   29    33    53    63  -0.07550 -1.0 2.0
   29    33    53    63   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    53    63    64  -2.65550  1.0 1.0
   33    53    63    64  -0.22350 -1.0 2.0
   33    53    63    64   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    53    47   0.15000  1.0 3.0
   34    33    53    54   0.15000  1.0 3.0
   34    33    53    63   0.23400  1.0 3.0
   38    33    53    47   0.56750  1.0 1.0
   38    33    53    47  -0.07550 -1.0 2.0
   38    33    53    47   0.20000  1.0 3.0
   38    33    53    54   0.15000  1.0 3.0
   38    33    53    63   0.62750  1.0 1.0
   38    33    53    63  -0.30950 -1.0 2.0
   38    33    53    63   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    53   0.56750  1.0 1.0
   40    44    47    53  -0.07550 -1.0 2.0
   40    44    47    53   0.20000  1.0 3.0
   40    44    47    55   0.86500  1.0 1.0
   40    44    47    55  -0.17500 -1.0 2.0
   40    44    47    55   0.20800  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    61   0.05050  1.0 1.0
   40    46    50    61  -1.30700 -1.0 2.0
   40    46    50    61   0.91550  1.0 3.0
   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   -53    33   0.56750  1.0 1.0
   44    47   -53    33  -0.07550 -1.0 2.0
   44    47   -53    33   0.20000  1.0 3.0
   44    47    53    54   0.15000  1.0 3.0
   44    47    53    63   0.62750  1.0 1.0
   44    47    53    63  -0.30950 -1.0 2.0
   44    47    53    63   0.27300  1.0 3.0
   44    47    55    56  -0.11600  1.0 1.0
   44    47    55    56  -0.09450 -1.0 2.0
   44    47    55    56   0.21250  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    53   0.15000  1.0 3.0
   45    44    47    55   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    53    63    64  -2.65550  1.0 1.0
   47    53    63    64  -0.22350 -1.0 2.0
   47    53    63    64   0.24150  1.0 3.0
   48    47    53    33   0.15000  1.0 3.0
   48    47    53    54   0.15000  1.0 3.0
   48    47    53    63   0.23400  1.0 3.0
   48    47    55    56   0.19450  1.0 3.0
   53    33    38    39   0.15000  1.0 3.0
   53    33   -38    40   0.56750  1.0 1.0
   53    33   -38    40  -0.07550 -1.0 2.0
   53    33   -38    40   0.20000  1.0 3.0
   53    33    38    42   0.86500  1.0 1.0
   53    33    38    42  -0.17500 -1.0 2.0
   53    33    38    42   0.20800  1.0 3.0
   53    47    55    56  -0.11600  1.0 1.0
   53    47    55    56  -0.09450 -1.0 2.0
   53    47    55    56   0.21250  1.0 3.0
   53    63    64    65   0.00000  1.0 1.0
   53    63    64    66   0.00000  1.0 1.0
   53    63    64    67   0.00000  1.0 1.0
   54    53    63    64   0.03000  1.0 3.0
   55    47    53    33   0.86500  1.0 1.0
   55    47    53    33  -0.17500 -1.0 2.0
   55    47    53    33   0.20800  1.0 3.0
   55    47    53    54   0.23400  1.0 3.0
   55    47    53    63   3.69350  1.0 1.0
   55    47    53    63  -1.82950 -1.0 2.0
   49    44    47    48   0.23400  1.0 3.0
   49    44    47    53   0.62750  1.0 1.0
   49    44    47    53  -0.30950 -1.0 2.0
   49    44    47    53   0.27300  1.0 3.0
   49    44    47    55   3.69350  1.0 1.0
   49    44    47    55  -1.82950 -1.0 2.0
   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
   46    50    61    62   0.00000  1.0 1.0
   51    50    61    62   0.00000  1.0 1.0
   52    50    61    62   0.00000  1.0 1.0
   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
