* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    133    191     379
    1     0 S   NP   _N1_     1    28.85852    95.83999   -20.73388
    2     1 S   H    _HN1     2     1.02778    89.52479   -87.03359
    3     1 S   H    _H1_     3     1.02936    78.85261    21.84683
    4     1 S   H    _H2_     4     1.02829    41.23712   154.54149
    5     1 S   CT   _CA1     5     1.50206   150.63128   133.75966
    6     5 S   HC   _HA1     6     1.09578   105.05102    73.78690
    7     5 S   CO3  _C1_     7     1.53789   112.48287   -46.07799
    8     7 S   O2Z  _O11     8     1.26427   114.97273   -37.98538
    9     7 S   O2Z  _O12     9     1.26221   114.95124   140.73682
   10     5 S   CT   _CB1    10     1.53075   107.35005  -168.37164
   11    10 S   HC   HB11    11     1.09828   109.17179   -48.57517
   12    10 S   HC   HB12    12     1.09805   110.49126    67.97509
   13    10 S   CT   _CG1    13     1.53014   112.77659  -169.59002
   14    13 S   HC   HG11    14     1.09570   110.51277   -68.46926
   15    13 S   HC   HG12    15     1.09672   109.88550    50.73843
   16    13 S   C    _CD1    16     1.51895   112.27092   170.87146
   17    16 S   O    _OE1    17     1.22745   123.27269     3.62796
   18    16 S   N    _N2_    18     1.38646   111.70743  -176.18643
   19    18 S   H    _HN2    19     1.01604   118.88769     0.08393
   20    18 S   CT1  _CA2    20     1.46361   123.47096   178.62143
   21    20 S   HC   _HA2    21     1.09740   109.33750    -9.18611
   22    20 S   C    _C2_    22     1.53372   108.36102  -124.66438
   23    22 S   O    _O2_    23     1.23029   122.38496  -147.61318
   24    20 S   CT   _CB2    32     1.53366   111.40824   112.95148
   25    24 S   HC   HB21    33     1.09550   109.54551    55.63862
   26    24 S   HC   HB22    34     1.09490   110.96821   174.41075
   27    22 S   N    _N3_    24     1.38375   113.44361    39.91089
   28    27 S   H    _HN3    25     1.01646   119.48306    -3.73696
   29    24 S   S    _SG2    35     1.82588   110.95601   -66.09292
   30    27 S   CT   _CA3    26     1.45284   123.13221   176.92012
   31    30 S   HC   HA31    27     1.09553   107.55734   -63.07042
   32    30 S   HC   HA32    28     1.09559   107.90581    53.32543
   33    29 S   CT   _C9_    36     1.83925    99.68945   147.52785
   34    33 S   HC   _H4_    37     1.09432   108.70152   -38.40321
   35    30 S   CO3  _C3_    29     1.52936   114.14822   175.29939
   36    35 S   O2Z  _O31    30     1.26365   116.06758    -0.26467
   37    35 S   O2Z  _O32    31     1.26432   114.40800   179.77971
   38    33 S   CT   _C10    38     1.51933   110.68827    86.54820
   39    38 S   HC   _H5_    39     1.09464   115.11576   -38.04700
   40    38 S   CT   _C11    40     1.52771   102.78110    84.07567
   41    40 S   HC   _H6_    41     1.09695   110.08574   -83.94611
   42    38 S   OH   _O45    73     1.42751   109.06746  -158.44819
   43    42 S   HO   _H13    74     0.97259   107.57583    65.80210
   44    40 S   OS   _O34    42     1.44227   106.27516    30.09430
   45    40 S   CT   _C12    57     1.52356   115.31829   151.03801
   46    45 S   HC   _H11    58     1.09411   110.77313    46.57921
   47    45 S   HC   _H12    59     1.09492   111.27387   -74.81831
   48    33 S   CO   _C8_    43     1.54064   113.41671  -160.54725
   49    48 S   HC   _H3_    44     1.09868   108.51675   159.23472
   50    45 S   OS   _O35    60     1.42609   108.63596   163.72381
   51    48 S   N*   _N4_    45     1.46843   115.73869    39.82355
   52    50 S   P2   _P1_    61     1.63484   120.21445   119.51869
   53    52 S   O2Z  _O37    62     1.51300   107.43894  -178.82447
   54    52 S   O2Z  _O36    63     1.51343   108.70548    49.12991
   55    51 S   CNA  _C5_    46     1.37807   120.99144  -116.94524
   56    55 S   HC   _H8_    47     1.08368   118.11361    -0.85615
   57    52 S   OS   _O38    64     1.62499    99.04273   -65.20141
   58    55 S   CM   _C4_    48     1.33167   121.89372  -179.85065
   59    58 S   HC   _H7_    49     1.08128   122.92732   178.78083
   60    57 S   P2   _P2_    65     1.62750   131.49316  -168.49429
   61    60 S   O2Z  _O40    66     1.51313   108.32885    74.05208
   62    60 S   O2Z  _O39    67     1.51336   108.47203   -59.07149
   63    58 S   CDX  _C7_    50     1.48209   116.48749    -1.25039
   64    60 S   OS   _O41    68     1.62863    97.94819  -172.34124
   65    63 S   NNC  _N5_    51     1.30440   121.91533     1.83366
   66    63 S   NND  _N6_    54     1.37254   118.49711  -177.79975
   67    66 S   H    _H9_    55     1.01302   122.28989    -2.86785
   68    66 S   H    _H10    56     1.01740   120.12429   178.42306
   69    64 S   P3   _P3_    69     1.64186   131.88043  -169.75981
   70    69 S   O2Z  _O43    70     1.52629   103.73822  -168.73628
   71    69 S   O2Z  _O44    71     1.52467   104.99592   -49.05204
   72    69 S   O2Z  _O42    72     1.52535   104.67794    71.71950
   73    51 S   C    _C6_    52     1.41048   118.69602    64.71751
   74    73 S   O    _O33    53     1.23294   121.32008     1.12935
  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
  14   8   2   1   1  13   7  12   7   4   1   9   8   3   2   8
   3   5   8   7   3   2   8   4   5   7   3   7   3   2   6   4
   5   3   1   1   3   2   1   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    48    49    51    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    51    55    73    45    42    43  
   38    39    40    44    48    49    51    42  
   36    37  
   37  
    0  
   39    40    41    44    48    49    51    45    46    47    50    42    43  
   40    41    44    48    45    42    43  
   41    44    48    49    51    45    46    47    50    52    42    43  
   44    48    45    46    47    50    42  
   43    44    45    48  
    0  
   48    49    51    55    73    45    46    47    50  
   46    47    50    52    53    54    57    48  
   47    50    52  
   50    52  
   49    51    55    56    58    65    73    74  
   51    55    73  
   52    53    54    57    60  
   55    56    58    59    63    65    73    74  
   53    54    57    60    61    62    64  
   54    57    60  
   57    60  
   56    58    59    63    65    73    74    66  
   58    59    63    73  
   60    61    62    64    69  
   59    63    65    73    66    67    68  
   63    65    66  
   61    62    64    69    70    71    72  
   62    64    69  
   64    69  
   65    73    74    66    67    68  
   69    70    71    72  
   73    74    66    67    68  
   67    68    73  
   68  
    0  
   70    71    72  
   71    72  
   72  
    0  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.480000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0500   0.100000   1.3810   1.2100   0.008598240   0.268726247
   50   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.2500   0.1700  -0.560000   1.8100   1.6000   0.054801302  -1.445846770
   52   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   53   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   54   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   55   3.5000   0.0800   0.100000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   57   2.8500   0.1400  -0.585500   1.5900   1.4000   0.020110767  -0.896042159
   58   3.5000   0.0800  -0.060000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7400   0.2000   1.841100   2.1070   1.8700   0.005000000   0.000000000
   61   2.9800   0.2000  -1.058000   1.6890   1.4900   0.001000000  -0.126889456
   62   2.9800   0.2000  -1.058000   1.6890   1.4900   0.001000000  -0.126889456
   63   3.5000   0.0800   0.460000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.8500   0.1400  -0.663300   1.5900   1.4000   0.020110767  -0.896042159
   65   3.2500   0.1700  -0.540000   1.8375   1.6250   0.005000000   0.000000000
   66   3.2500   0.1700  -0.790000   1.8650   1.6500   0.051222218  -2.220205820
   67   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   68   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.7400   0.2000   1.872500   2.1070   1.8700   0.005000000   0.000000000
   70   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   71   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   72   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   73   3.7500   0.1050   0.550000   1.9250   1.7000   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.480000   1.5250   1.4250   0.001000000  -1.480495490
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    48   250.000  1.527
   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   320.000  1.410
   40    45   268.000  1.529
   44    48   320.000  1.380
   48    49   340.000  1.090
   48    51   275.000  1.479
   51    55   448.000  1.365
   51    73   418.000  1.388
   55    56   367.000  1.080
   55    58   549.000  1.340
   58    59   340.000  1.080
   58    63   427.000  1.433
   63    65   585.000  1.311
   63    66   481.000  1.340
   65    73   457.000  1.358
   73    74   570.000  1.229
   66    67   434.000  1.010
   66    68   434.000  1.010
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   320.000  1.410
   50    52   230.000  1.697
   52    53   525.000  1.480
   52    54   525.000  1.480
   52    57   230.000  1.697
   57    60   230.000  1.697
   60    61   525.000  1.480
   60    62   525.000  1.480
   60    64   230.000  1.697
   64    69   230.000  1.630
   69    70   525.000  1.516
   69    71   525.000  1.516
   69    72   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    48    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    48    44    90.00000  108.56700
   33    48    49    45.00000  112.01100
   33    48    51    75.00000  107.44000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    50.00000  109.50000
   38    40    45    58.35000  112.70000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    48    60.00000  109.50000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    50    50.00000  109.50000
   44    40    41    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    51   105.00000  106.22000
   48    33    34    45.00000  108.72000
   48    33    38    75.00000  109.43000
   48    51    55    70.00000  121.20000
   48    51    73    70.00000  117.60000
   51    48    49    55.00000  103.44000
   51    55    56    35.00000  119.10000
   51    55    58    70.00000  121.20000
   51    73    65    70.00000  118.60000
   51    73    74    80.00000  120.60000
   55    58    59    35.00000  120.00000
   55    58    63    85.00000  117.00000
   58    55    56    35.00000  119.70000
   58    63    65    70.00000  121.02800
   58    63    66    70.00000  120.10000
   63    58    59    35.00000  123.30000
   63    65    73    70.00000  123.15400
   63    66    67    35.00000  120.00000
   63    66    68    35.00000  120.00000
   65    73    74    80.00000  122.50000
   73    51    55    70.00000  121.60000
   66    63    65    70.00000  119.30000
   68    66    67    35.00000  120.00000
   45    40    41    37.50000  110.70000
   45    40    44    50.00000  109.50000
   45    50    52   100.00000  120.50000
   47    45    46    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    47    35.00000  109.50000
   50    52    53   100.00000  108.23000
   50    52    54   100.00000  108.23000
   50    52    57    45.00000  102.60000
   52    57    60    50.00000  132.62000
   54    52    53   140.00000  119.90000
   57    52    53   100.00000  108.23000
   57    52    54   100.00000  108.23000
   57    60    61   100.00000  108.23000
   57    60    62   100.00000  108.23000
   57    60    64    45.00000  102.60000
   60    64    69    45.00000  143.19000
   62    60    61   140.00000  119.90000
   64    60    61   100.00000  108.23000
   64    60    62   100.00000  108.23000
   64    69    70   100.00000  107.00000
   64    69    71   100.00000  107.00000
   64    69    72   100.00000  107.00000
   71    69    70   140.00000  114.00000
   72    69    70   140.00000  114.00000
   72    69    71   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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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    48    44   0.56750  1.0 1.0
   29    33    48    44  -0.07550 -1.0 2.0
   29    33    48    44   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    51   0.56750  1.0 1.0
   29    33    48    51  -0.07550 -1.0 2.0
   29    33    48    51   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38   -40    44   0.62750  1.0 1.0
   33    38   -40    44  -0.30950 -1.0 2.0
   33    38   -40    44   0.27300  1.0 3.0
   33    38    40    45   0.56750  1.0 1.0
   33    38    40    45  -0.07550 -1.0 2.0
   33    38    40    45   0.20000  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    48    51    55   2.08450  1.0 1.0
   33    48    51    55  -0.39300 -1.0 2.0
   33    48    51    55   0.23400  1.0 3.0
   33    48    51    73  -0.43950  1.0 1.0
   33    48    51    73  -0.08100 -1.0 2.0
   33    48    51    73   0.03350  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    48    44   0.23400  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    51   0.15000  1.0 3.0
   38    33   -48    44   0.62750  1.0 1.0
   38    33   -48    44  -0.30950 -1.0 2.0
   38    33   -48    44   0.27300  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    51  -0.27100  1.0 1.0
   38    33    48    51  -0.01700 -1.0 2.0
   38    33    48    51  -0.48600  1.0 3.0
   38    40   -44    48   0.06250  1.0 1.0
   38    40   -44    48  -0.01100 -1.0 2.0
   38    40   -44    48   0.28050  1.0 3.0
   38    40    45    46   0.15000  1.0 3.0
   38    40    45    47   0.15000  1.0 3.0
   38    40    45    50   0.62750  1.0 1.0
   38    40    45    50  -0.30950 -1.0 2.0
   38    40    45    50   0.27300  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.23400  1.0 3.0
   39    38    40    45   0.15000  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   -48    33   0.06250  1.0 1.0
   40    44   -48    33  -0.01100 -1.0 2.0
   40    44   -48    33   0.28050  1.0 3.0
   40    44    48    49   0.37050  1.0 3.0
   40    44    48    51  -2.37750  1.0 1.0
   40    44    48    51  -0.08150 -1.0 2.0
   40    44    48    51   0.59000  1.0 3.0
   40    45    50    52  -2.65550  1.0 1.0
   40    45    50    52  -0.22350 -1.0 2.0
   40    45    50    52   0.24150  1.0 3.0
   41    40    44    48   0.37050  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    50   0.23400  1.0 3.0
   44    40    45    46   0.23400  1.0 3.0
   44    40    45    47   0.23400  1.0 3.0
   44    40    45    50   1.11900  1.0 1.0
   44    40    45    50  -1.16350 -1.0 2.0
   44    40    45    50  -0.34150  1.0 3.0
   44    48    51    55  -0.28000  1.0 1.0
   44    48    51    55  -1.16550 -1.0 2.0
   44    48    51    73  -2.75650  1.0 1.0
   44    48    51    73  -1.18150 -1.0 2.0
   44    48    51    73   0.81900  1.0 3.0
   48    33    38    39   0.15000  1.0 3.0
   48    33   -38    40   3.97050  1.0 1.0
   48    33    38    42   0.86500  1.0 1.0
   48    33    38    42  -0.17500 -1.0 2.0
   48    33    38    42   0.20800  1.0 3.0
   48    51    55    56   1.88100 -1.0 2.0
   48    51    55    58  -0.88150  1.0 1.0
   48    51    55    58   2.95600 -1.0 2.0
   48    51    73    65   3.62500 -1.0 2.0
   48    51    73    74   3.04450 -1.0 2.0
   49    48    51    55   0.00000  1.0 1.0
   49    48    51    73   0.00000  1.0 1.0
   51    55    58    59   0.97550 -1.0 2.0
   51    55    58    63   7.00000 -1.0 2.0
   55    51    73    65   3.62500 -1.0 2.0
   55    51    73    74   2.67200 -1.0 2.0
   55    58   -63    65   7.00000 -1.0 2.0
   55    58    63    66   7.00000 -1.0 2.0
   56    55    58    59   7.00000 -1.0 2.0
   56    55    58    63   7.00000 -1.0 2.0
   58    63    65    73   3.62500 -1.0 2.0
   58    63    66    67   0.70000 -1.0 2.0
   58    63    66    68   0.70000 -1.0 2.0
   59    58    63    65   7.00000 -1.0 2.0
   59    58    63    66   7.00000 -1.0 2.0
   63    65   -73    51   3.62500 -1.0 2.0
   63    65    73    74   3.04450 -1.0 2.0
   65    63    66    67   0.70000 -1.0 2.0
   65    63    66    68   0.70000 -1.0 2.0
   73    51    55    56   1.44600  1.0 1.0
   73    51   -55    58  -0.18900  1.0 1.0
   73    51   -55    58   1.70900 -1.0 2.0
   66    63    65    73   3.62500 -1.0 2.0
   45    40    44    48   0.06250  1.0 1.0
   45    40    44    48  -0.01100 -1.0 2.0
   45    40    44    48   0.28050  1.0 3.0
   45    50    52    53   0.00000  1.0 1.0
   45    50    52    54   0.00000  1.0 1.0
   45    50    52    57   0.05050  1.0 1.0
   45    50    52    57  -1.30700 -1.0 2.0
   45    50    52    57   0.91550  1.0 3.0
   46    45    50    52   0.03000  1.0 3.0
   47    45    50    52   0.03000  1.0 3.0
   50    52    57    60   0.15000  1.0 3.0
   52    57    60    61   0.50000  1.0 3.0
   52    57    60    62   0.50000  1.0 3.0
   52    57    60    64   0.15000  1.0 3.0
   53    52    57    60   0.50000  1.0 3.0
   54    52    57    60   0.50000  1.0 3.0
   57    60    64    69   0.15000  1.0 3.0
   60    64    69    70   0.50000  1.0 3.0
   60    64    69    71   0.50000  1.0 3.0
   60    64    69    72   0.50000  1.0 3.0
   61    60    64    69   0.50000  1.0 3.0
   62    60    64    69   0.50000  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   3.69350  1.0 1.0
   42    38    40    44  -1.82950 -1.0 2.0
   42    38    40    45   0.86500  1.0 1.0
   42    38    40    45  -0.17500 -1.0 2.0
   42    38    40    45   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   55    73    51    48   1.00000 -1.0 2.0
   51    56    55    58   1.10000 -1.0 2.0
   63    59    58    55   1.10000 -1.0 2.0
   66    58    63    65  10.50000 -1.0 2.0
   51    65    73    74  10.50000 -1.0 2.0
   68    63    66    67   1.00000 -1.0 2.0
END
