* LIGAND DATABASE FILE (OPLS2005)
*
001      68    68    119    178     350
    1     0 S   NP   _N1_     1    28.86971    93.89228   -20.23595
    2     1 S   H    _HN1     2     1.02845    26.48315   151.14980
    3     1 S   H    _H1_     3     1.02794    86.73412   -65.54334
    4     1 S   H    _H2_     4     1.02965    99.90756    42.36648
    5     1 S   CT   _CA1     5     1.50113   135.57690   175.74195
    6     5 S   HC   _HA1     6     1.09592   105.23632    48.05626
    7     5 S   CO3  _C1_     7     1.53713   112.11267   -71.88511
    8     7 S   O2Z  _O11     8     1.26392   115.18026   -53.81982
    9     7 S   O2Z  _O12     9     1.26224   114.91407   125.48689
   10     5 S   CT   _CB1    10     1.53095   107.34968   165.50992
   11    10 S   HC   HB11    11     1.09814   109.07863   -53.34719
   12    10 S   HC   HB12    12     1.09825   110.55278    63.03557
   13    10 S   CT   _CG1    13     1.53041   112.75753  -174.67774
   14    13 S   HC   HG11    14     1.09539   110.18194   -62.83431
   15    13 S   HC   HG12    15     1.09621   110.28385    56.20765
   16    13 S   C    _CD1    16     1.51850   111.92074   175.94672
   17    16 S   O    _OE1    17     1.22771   122.92580   -20.01125
   18    16 S   N    _N2_    18     1.38563   112.03662   161.49160
   19    18 S   H    _HN2    19     1.01579   119.13726     0.09065
   20    18 S   CT1  _CA2    20     1.46329   123.34857  -178.98586
   21    20 S   HC   _HA2    21     1.09734   109.36595   -14.57602
   22    20 S   C    _C2_    22     1.53414   108.20377  -130.22843
   23    22 S   O    _O2_    23     1.23010   122.33200  -145.56324
   24    20 S   CT   _CB2    32     1.53501   111.40927   107.58922
   25    24 S   HC   HB21    33     1.09404   109.23986    54.73045
   26    24 S   HC   HB22    34     1.09498   110.59206   173.54779
   27    22 S   N    _N3_    24     1.38544   113.31766    41.82634
   28    27 S   H    _HN3    25     1.01529   118.88070    -0.58484
   29    24 S   S    _SG2    35     1.82611   111.52812   -66.77138
   30    27 S   CT   _CA3    26     1.45441   123.41811   175.13200
   31    30 S   HC   HA31    27     1.09526   109.18906    25.33773
   32    30 S   HC   HA32    28     1.09494   107.13475   142.33053
   33    29 S   CT   _C8_    36     1.84570   100.25479   172.69330
   34    33 S   HC   _H4_    37     1.09752   107.45680    52.00543
   35    30 S   CO3  _C3_    29     1.52926   113.14311   -98.10788
   36    35 S   O2Z  _O31    30     1.26400   115.41650   -44.39149
   37    35 S   O2Z  _O32    31     1.26357   114.97817   136.55058
   38    33 S   CM   _C7_    38     1.51698   109.64974   167.52412
   39    38 S   CM   _C6_    39     1.34523   123.84942   134.71479
   40    39 S   HC   _H10    40     1.08780   120.39445   179.84677
   41    38 S   CO3  _C14    66     1.53753   119.85217   -50.26925
   42    41 S   O2Z  _O41    67     1.26401   115.90271   128.68060
   43    41 S   O2Z  _O40    68     1.26572   114.64445   -51.45003
   44    39 S   CT   _C5_    41     1.50214   123.50332     2.97269
   45    44 S   HC   _H3_    42     1.09581   109.42519   135.00611
   46    44 S   CT   _C10    43     1.53899   110.99889    15.87734
   47    46 S   HC   _H6_    44     1.09840   108.81628    71.89513
   48    44 S   OS   _O35    58     1.42457   108.20760  -106.01598
   49    33 S   CT   _C9_    45     1.55427   111.64936   -66.65113
   50    49 S   HC   _H5_    46     1.09676   109.19657    76.94309
   51    46 S   OH   _O36    56     1.42490   110.97709  -171.23128
   52    51 S   HO   _H11    57     0.97178   107.56684   -54.80051
   53    48 S   P2   _P1_    59     1.63146   120.73203  -101.95367
   54    53 S   O2Z  _O34    60     1.51207   110.37584    36.66844
   55    53 S   O2Z  _O33    61     1.51207   108.82206   172.42153
   56    49 S   OS   _O37    47     1.44886   109.86206   -43.21858
   57    53 S   CT   _C4_    62     1.81604    99.71257   -76.12272
   58    57 S   HC   _H7_    63     1.09333   110.10600   -56.39582
   59    57 S   HC   _H8_    64     1.09264   110.86595    64.37620
   60    57 S   HC   _H9_    65     1.09342   109.47052  -175.96400
   61    56 S   CO4  _C11    48     1.35868   118.13809   142.31170
   62    61 S   O    _O38    49     1.22249   126.59774     1.36573
   63    61 S   CM   _C12    50     1.48706   109.06680  -177.74840
   64    63 S   CM   _C13    51     1.33951   118.62316  -171.83636
   65    64 S   HC   _H12    52     1.08503   121.05396  -179.87805
   66    64 S   HC   _H13    53     1.08496   122.20302     0.43160
   67    63 S   OH   _O39    54     1.37959   118.85465     8.77216
   68    67 S   HO   _H14    55     0.97586   108.47256   176.56533
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  15   7   2   1   1  12  12   5   4   1   1  13   6   9   6   9
   7   3   2   1   6   5   4   5   3   2   1   1   7   3   5   4
   2   1   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    46    49    50    56    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    46    47    49    50    56    61    51    41    42    43  
   38    39    46    49    50    56    41  
   36    37  
   37  
    0  
   39    40    44    45    46    49    50    56    48    41    42    43  
   40    44    45    46    47    49    51    48    53    41    42    43  
   44    45    46    48    41  
   42    43    44    49  
   43  
    0  
   45    46    47    49    50    56    51    52    48    53    54    55    57  
   46    47    49    51    48    53  
   47    49    50    56    61    51    52    48    53  
   49    50    56    51    52    48  
   53    54    55    57    58    59    60    49    51  
   50    56    61    62    63    51    52  
   56    61    51  
   52    56  
    0  
   54    55    57    58    59    60  
   55    57    58    59    60  
   57    58    59    60  
   61    62    63    64    67  
   58    59    60  
   59    60  
   60  
    0  
   62    63    64    65    66    67    68  
   63    64    67  
   64    65    66    67    68  
   65    66    67    68  
   66    67  
   67  
   68  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.310300   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.7400   0.2000   1.620000   2.1070   1.8700   0.005000000   0.000000000
   54   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   55   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   56   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660  -0.510000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.080000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.080000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.080000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    49   268.000  1.529
   38    39   549.000  1.340
   38    41   230.000  1.545
   39    40   340.000  1.080
   39    44   317.000  1.510
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   320.000  1.410
   46    47   340.000  1.090
   46    49   268.000  1.529
   46    51   320.000  1.410
   49    50   340.000  1.090
   49    56   320.000  1.410
   56    61   214.000  1.327
   61    62   570.000  1.229
   61    63   320.000  1.462
   63    64   549.000  1.340
   63    67   510.000  1.338
   64    65   340.000  1.080
   64    66   340.000  1.080
   67    68   553.000  0.945
   51    52   553.000  0.945
   48    53   230.000  1.697
   53    54   525.000  1.480
   53    55   525.000  1.480
   53    57   185.000  1.874
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   41    42   656.000  1.250
   41    43   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    49    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.04000
   33    49    46    58.35000  112.70000
   33    49    50    37.50000  110.70000
   33    49    56    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  120.00000
   38    39    44    70.00000  124.00000
   38    41    42    85.00000  113.83300
   38    41    43    85.00000  113.83300
   39    44    45    35.00000  109.50000
   39    44    46    70.00000  112.02700
   39    44    48    85.00000  110.90400
   44    39    40    35.00000  117.00000
   44    46    47    37.50000  110.70000
   44    46    49    58.35000  112.70000
   44    46    51    50.00000  109.50000
   44    48    53   100.00000  120.50000
   46    44    45    37.50000  110.70000
   46    49    50    37.50000  110.70000
   46    49    56    50.00000  109.50000
   46    51    52    55.00000  108.50000
   49    33    34    37.50000  110.70000
   49    33    38    70.00000  112.02700
   49    46    47    37.50000  110.70000
   49    56    61    83.00000  116.90000
   56    49    50    35.00000  109.50000
   56    61    62    83.00000  123.40000
   56    61    63    90.00000  111.29400
   61    63    64    65.00000  118.96000
   61    63    67    85.00000  116.28000
   63    61    62    80.00000  123.72100
   63    64    65    35.00000  120.00000
   63    64    66    35.00000  120.00000
   63    67    68    70.00000  107.45700
   66    64    65    35.00000  117.00000
   67    63    64    80.00000  121.38400
   51    46    47    35.00000  109.50000
   51    46    49    50.00000  109.50000
   48    44    45    35.00000  109.50000
   48    44    46    50.00000  109.50000
   48    53    54   100.00000  108.23000
   48    53    55   100.00000  108.23000
   48    53    57   100.00000   97.56000
   53    57    58    35.00000  111.47000
   53    57    59    35.00000  111.47000
   53    57    60    35.00000  111.47000
   55    53    54   140.00000  119.90000
   57    53    54    85.00000  108.79900
   57    53    55    85.00000  108.79900
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   41    38    39    55.00000  124.75400
   43    41    42    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    49    46   0.44750  1.0 1.0
   29    33    49    46  -0.17800 -1.0 2.0
   29    33    49    46   0.20200  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    56   0.56750  1.0 1.0
   29    33    49    56  -0.07550 -1.0 2.0
   29    33    49    56   0.20000  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    44   7.00000 -1.0 2.0
   33    38    41    42  -0.64400  1.0 1.0
   33    38    41    42   0.26850 -1.0 2.0
   33    38    41    43  -0.64400  1.0 1.0
   33    38    41    43   0.26850 -1.0 2.0
   33    49    56    61  -0.25900  1.0 1.0
   33    49    56    61  -0.47000 -1.0 2.0
   33    49    56    61   0.11750  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    49    46   0.15000  1.0 3.0
   34    33    49    50   0.15000  1.0 3.0
   34    33    49    56   0.23400  1.0 3.0
   38    33    49    46   0.34400  1.0 1.0
   38    33    49    46   0.09450 -1.0 2.0
   38    33    49    46   0.11100  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    56   0.61850  1.0 1.0
   38    33    49    56  -0.22750 -1.0 2.0
   38    33    49    56   0.15300  1.0 3.0
   38    39    44    45   0.00000  1.0 1.0
   38    39   -44    46   0.09850  1.0 1.0
   38    39   -44    46   0.15250 -1.0 2.0
   38    39   -44    46  -0.50650  1.0 3.0
   38    39    44    48   0.39000  1.0 1.0
   38    39    44    48  -0.05800 -1.0 2.0
   38    39    44    48  -0.55150  1.0 3.0
   39    38    41    42  -0.04000 -1.0 2.0
   39    38    41    42  -0.29050  1.0 3.0
   39    38    41    43  -0.04000 -1.0 2.0
   39    38    41    43  -0.29050  1.0 3.0
   39    44    46    47   0.15000  1.0 3.0
   39    44    46    49   0.34400  1.0 1.0
   39    44    46    49   0.09450 -1.0 2.0
   39    44    46    49   0.11100  1.0 3.0
   39    44    46    51   1.05650  1.0 1.0
   39    44    46    51   0.15600 -1.0 2.0
   39    44    46    51   0.53150  1.0 3.0
   39    44    48    53   0.37500  1.0 3.0
   40    39    44    45   0.33100  1.0 3.0
   40    39    44    46   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   44    46   -49    33   0.56750  1.0 1.0
   44    46   -49    33  -0.07550 -1.0 2.0
   44    46   -49    33   0.20000  1.0 3.0
   44    46    49    50   0.15000  1.0 3.0
   44    46    49    56   0.62750  1.0 1.0
   44    46    49    56  -0.30950 -1.0 2.0
   44    46    49    56   0.27300  1.0 3.0
   44    46    51    52  -0.11600  1.0 1.0
   44    46    51    52  -0.09450 -1.0 2.0
   44    46    51    52   0.21250  1.0 3.0
   44    48    53    54   0.00000  1.0 1.0
   44    48    53    55   0.00000  1.0 1.0
   44    48    53    57   0.19950  1.0 1.0
   44    48    53    57  -1.11250 -1.0 2.0
   44    48    53    57   0.35000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    49   0.15000  1.0 3.0
   45    44    46    51   0.23400  1.0 3.0
   45    44    48    53   0.03000  1.0 3.0
   46    44    48    53  -2.65550  1.0 1.0
   46    44    48    53  -0.22350 -1.0 2.0
   46    44    48    53   0.24150  1.0 3.0
   46    49    56    61  -0.25900  1.0 1.0
   46    49    56    61  -0.47000 -1.0 2.0
   46    49    56    61   0.11750  1.0 3.0
   47    46    49    33   0.15000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    56   0.23400  1.0 3.0
   47    46    51    52   0.19450  1.0 3.0
   49    33   -38    39   0.09850  1.0 1.0
   49    33   -38    39   0.15250 -1.0 2.0
   49    33   -38    39  -0.50650  1.0 3.0
   49    33    38    41   0.09700  1.0 1.0
   49    33    38    41   0.15600 -1.0 2.0
   49    33    38    41  -0.50800  1.0 3.0
   49    46    51    52  -0.11600  1.0 1.0
   49    46    51    52  -0.09450 -1.0 2.0
   49    46    51    52   0.21250  1.0 3.0
   49    56    61    62   3.00000 -1.0 2.0
   49    56    61    63   2.00000 -1.0 2.0
   50    49    56    61   0.08050  1.0 3.0
   56    61    63    64  -0.56150  1.0 1.0
   56    61    63    64   2.19150 -1.0 2.0
   56    61    63    67   1.50000 -1.0 2.0
   61    63    64    65   7.00000 -1.0 2.0
   61    63    64    66   7.00000 -1.0 2.0
   61    63    67    68   2.00000 -1.0 2.0
   62    61    63    64   1.00000 -1.0 2.0
   62    61    63    67  -0.11900  1.0 1.0
   62    61    63    67   0.76850 -1.0 2.0
   62    61    63    67   0.14100  1.0 3.0
   64    63    67    68  -0.66100  1.0 1.0
   64    63    67    68   1.20850 -1.0 2.0
   64    63    67    68  -0.36000  1.0 3.0
   67    63    64    65   7.00000 -1.0 2.0
   67    63    64    66   7.00000 -1.0 2.0
   51    46    49    33   0.86500  1.0 1.0
   51    46    49    33  -0.17500 -1.0 2.0
   51    46    49    33   0.20800  1.0 3.0
   51    46    49    50   0.23400  1.0 3.0
   51    46    49    56   3.69350  1.0 1.0
   51    46    49    56  -1.82950 -1.0 2.0
   48    44    46    47   0.23400  1.0 3.0
   48    44    46    49   0.62750  1.0 1.0
   48    44    46    49  -0.30950 -1.0 2.0
   48    44    46    49   0.27300  1.0 3.0
   48    44    46    51   3.69350  1.0 1.0
   48    44    46    51  -1.82950 -1.0 2.0
   48    53    57    58   0.07150  1.0 3.0
   48    53    57    59   0.07150  1.0 3.0
   48    53    57    60   0.07150  1.0 3.0
   54    53    57    58   0.00000  1.0 1.0
   54    53    57    59   0.00000  1.0 1.0
   54    53    57    60   0.00000  1.0 1.0
   55    53    57    58   0.00000  1.0 1.0
   55    53    57    59   0.00000  1.0 1.0
   55    53    57    60   0.00000  1.0 1.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    44   7.00000 -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
   33    41    38    39   1.10000 -1.0 2.0
   44    40    39    38   1.10000 -1.0 2.0
   56    63    61    62  10.50000 -1.0 2.0
   61    67    63    64  15.00000 -1.0 2.0
   65    66    64    63  15.00000 -1.0 2.0
   42    38    41    43  10.50000 -1.0 2.0
END
