* LIGAND DATABASE FILE (OPLS2005)
*
001      65    66    119    178     345
    1     0 S   NP   _N1_     1    28.85922    95.26328   -21.38800
    2     1 S   H    _HN1     2     1.02833    34.92512   157.48150
    3     1 S   H    _H1_     3     1.02784    91.76981   -83.05120
    4     1 S   H    _H2_     4     1.02953    83.72880    25.21304
    5     1 S   CT   _CA1     5     1.50116   144.95569   142.24143
    6     5 S   HC   _HA1     6     1.09565   105.23636    68.48609
    7     5 S   CO3  _C1_     7     1.53803   112.42061   -51.84047
    8     7 S   O2Z  _O11     8     1.26368   115.01838   -42.06601
    9     7 S   O2Z  _O12     9     1.26237   114.98704   137.11227
   10     5 S   CT   _CB1    10     1.53082   107.44251  -173.42189
   11    10 S   HC   HB11    11     1.09824   109.51285   -48.78845
   12    10 S   HC   HB12    12     1.09824   110.36033    67.85952
   13    10 S   CT   _CG1    13     1.52982   112.60192  -169.78855
   14    13 S   HC   HG11    14     1.09582   110.46139   -62.31479
   15    13 S   HC   HG12    15     1.09649   109.98455    56.90253
   16    13 S   C    _CD1    16     1.51802   112.26982   177.36559
   17    16 S   O    _OE1    17     1.22722   123.29594    -0.75459
   18    16 S   N    _N2_    18     1.38615   111.59578   179.02361
   19    18 S   H    _HN2    19     1.01572   119.00526     2.55474
   20    18 S   CT1  _CA2    20     1.46299   123.43980  -178.17533
   21    20 S   HC   _HA2    21     1.09728   109.37803    -9.10729
   22    20 S   C    _C2_    22     1.53355   108.53993  -124.79874
   23    22 S   O    _O2_    23     1.23027   122.36437  -148.80831
   24    20 S   CT   _CB2    32     1.53390   111.15637   112.88549
   25    24 S   HC   HB21    33     1.09498   109.48764    56.84533
   26    24 S   HC   HB22    34     1.09501   110.84765   175.28416
   27    22 S   N    _N3_    24     1.38358   113.48361    38.68569
   28    27 S   H    _HN3    25     1.01642   119.47025    -3.47367
   29    24 S   S    _SG2    35     1.82738   111.13815   -65.33881
   30    27 S   CT   _CA3    26     1.45287   123.15408   177.01318
   31    30 S   HC   HA31    27     1.09550   107.50830   -64.51159
   32    30 S   HC   HA32    28     1.09558   107.97402    51.90739
   33    29 S   CT   _C11    36     1.82982    99.89015   148.05256
   34    33 S   HC   _H3_    37     1.09403   105.31399    60.08893
   35    30 S   CO3  _C3_    29     1.52938   114.11749   173.91543
   36    35 S   O2Z  _O31    30     1.26368   116.04772    -0.47271
   37    35 S   O2Z  _O32    31     1.26426   114.41611   179.59603
   38    33 S   CM   _C6_    38     1.52209   110.70947   178.98606
   39    33 S   OS   _O13    51     1.43139   114.81222   -53.53049
   40    38 S   CT   _C10    39     1.52637   115.62677    89.28718
   41    40 S   HC   _H22    40     1.10197   108.55986   146.26143
   42    38 S   CMA  _C7_    59     1.36935   122.69526   -92.58985
   43    42 S   OM   _O33    60     1.26985   125.38679  -178.39416
   44    40 S   CT   _C8_    41     1.53987   114.20853   -94.65395
   45    44 S   HC   _H19    42     1.09327   113.82298    33.92908
   46    44 S   HC   _H20    43     1.09486   110.81375   -88.68140
   47    42 S   OS   _O16    61     1.41977   111.72105     0.94378
   48    44 S   CM   _C4_    44     1.49248   102.55341   152.78275
   49    48 S   HC   _H18    45     1.08114   123.30725   165.95010
   50    47 S   CT   _C13    62     1.42720   114.15980   140.58754
   51    50 S   HC   _H25    63     1.09404   107.75093  -171.19868
   52    50 S   HC   _H26    64     1.09477   111.03021    70.87168
   53    50 S   HC   _H27    65     1.09540   111.11130   -53.03885
   54    48 S   CM   _C5_    46     1.33953   112.06159   -15.03364
   55    40 S   CT   _C9_    47     1.54604   115.89524    28.22438
   56    55 S   HC   _H21    48     1.09777   108.82313    91.30457
   57    54 S   CT   _C14    54     1.48904   125.90609  -179.54630
   58    57 S   HC   _H28    55     1.09367   110.69797   116.82911
   59    57 S   HC   _H29    56     1.09470   111.41792    -3.80200
   60    55 S   CO   _C12    49     1.52808   113.53915   -31.61549
   61    60 S   HC   _H24    50     1.09563   111.73693   -76.12502
   62    57 S   OH   _O15    57     1.42069   109.33798  -123.25806
   63    62 S   HO   _H31    58     0.97209   106.79092  -178.19485
   64    60 S   OH   _O14    52     1.42774   108.38984   166.08836
   65    64 S   HO   _H30    53     0.97147   106.72590   158.70994
  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   7   5   4   3
  13   5   2   1   1  15   9  16   9   8   2   9   5   4   4   9
   3   3   2   1   1  10   9   4   5   3   2   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    60    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    44    55    60    61    39    64    42    43    47  
   38    40    60    39    42  
   36    37  
   37  
    0  
   40    41    44    45    46    48    54    55    56    60    39    42    43    47    50  
   64    65    42    40    54    55    56    60    61  
   41    44    45    46    48    49    54    55    56    60    61    64    57    42    43    47  
   44    45    46    48    54    55    56    60    42  
   43    47    50    51    52    53    44    55  
   47    50  
   45    46    48    49    54    55    56    60    57  
   46    48    49    54    55  
   48    49    54    55  
   50    51    52    53  
   49    54    55    56    60    57    58    59    62  
   54    55    57  
   51    52    53  
   52    53  
   53  
    0  
   55    56    60    61    64    57    58    59    62    63  
   56    60    61    64    65    57    58    59    62  
   60    61    64    57  
   58    59    62    63    60  
   59    62    63  
   62    63  
   61    64    65  
   64    65  
   63  
    0  
   65  
    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  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   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    39   320.000  1.410
   38    40   317.000  1.510
   38    42   465.000  1.376
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    55   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    48   317.000  1.510
   48    49   340.000  1.080
   48    54   549.000  1.340
   54    55   317.000  1.510
   54    57   317.000  1.510
   55    56   340.000  1.090
   55    60   250.000  1.527
   60    61   340.000  1.090
   60    39   320.000  1.380
   60    64   380.000  1.407
   64    65   553.000  0.945
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   320.000  1.410
   62    63   553.000  0.945
   42    43   745.000  1.250
   42    47   440.000  1.360
   47    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
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    39    85.00000  114.68000
   33    38    40    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    39    60    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  109.50000
   38    40    44    70.00000  112.02700
   38    40    55    70.00000  112.02700
   38    42    43    65.00000  137.10300
   38    42    47    80.00000  120.01400
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    48    70.00000  112.02700
   40    55    54    70.00000  112.02700
   40    55    56    37.50000  110.70000
   40    55    60    75.00000  109.43000
   44    40    41    37.50000  110.70000
   44    48    49    35.00000  117.00000
   44    48    54    70.00000  124.00000
   46    44    45    33.00000  107.80000
   48    44    45    35.00000  109.50000
   48    44    46    35.00000  109.50000
   48    54    55    70.00000  124.00000
   48    54    57    70.00000  124.00000
   54    48    49    35.00000  120.00000
   54    55    56    35.00000  109.50000
   54    55    60    70.00000  112.02700
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    62    90.00000  110.39200
   55    40    41    37.50000  110.70000
   55    40    44    58.35000  112.70000
   55    60    61    45.00000  112.01100
   55    60    39    90.00000  108.56700
   55    60    64    90.00000  110.19100
   60    55    56    45.00000  108.72000
   60    64    65    70.00000  107.92000
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    60    61    35.00000  109.50000
   64    60    61    60.00000  108.02500
   64    60    39   110.00000  112.08000
   57    54    55    65.00000  117.92700
   57    62    63    55.00000  108.50000
   59    57    58    33.00000  107.80000
   62    57    58    35.00000  109.50000
   62    57    59    35.00000  109.50000
   42    38    40    70.00000  124.00000
   42    47    50    90.00000  111.18400
   47    42    43    65.00000  121.00000
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    53    35.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
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    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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    40   0.30250  1.0 1.0
   29    33    38    40  -0.14950 -1.0 2.0
   29    33    38    40   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    39    60   0.14700  1.0 1.0
   29    33    39    60  -1.16150 -1.0 2.0
   29    33    39    60   0.48700  1.0 3.0
   33    38    40    41   0.34800  1.0 3.0
   33    38    40    44   0.46850  1.0 1.0
   33    38    40    44   0.08550 -1.0 2.0
   33    38    40    44   0.09800  1.0 3.0
   33    38    40    55   0.46850  1.0 1.0
   33    38    40    55   0.08550 -1.0 2.0
   33    38    40    55   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    47   7.00000 -1.0 2.0
   34    33    38    40   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    39    60   0.37050  1.0 3.0
   38    33    39    60  -0.77900  1.0 1.0
   38    33    39    60  -0.36900 -1.0 2.0
   38    33    39    60   0.40400  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40    44    46   0.15000  1.0 3.0
   38    40    44    48   0.31000  1.0 1.0
   38    40    44    48   0.14700 -1.0 2.0
   38    40    44    48   0.07550  1.0 3.0
   38    40    55    54   0.31000  1.0 1.0
   38    40    55    54   0.14700 -1.0 2.0
   38    40    55    54   0.07550  1.0 3.0
   38    40    55    56   0.15000  1.0 3.0
   38    40   -55    60   0.34400  1.0 1.0
   38    40   -55    60   0.09450 -1.0 2.0
   38    40   -55    60   0.11100  1.0 3.0
   38    42    47    50  -2.26850  1.0 1.0
   38    42    47    50   3.39050 -1.0 2.0
   40    38    42    43   7.00000 -1.0 2.0
   40    38    42    47   7.00000 -1.0 2.0
   40    44    48    49   0.00000  1.0 1.0
   40    44   -48    54   0.09850  1.0 1.0
   40    44   -48    54   0.15250 -1.0 2.0
   40    44   -48    54  -0.50650  1.0 3.0
   40    55    60    61   0.15000  1.0 3.0
   40    55    60    39   0.62750  1.0 1.0
   40    55    60    39  -0.30950 -1.0 2.0
   40    55    60    39   0.27300  1.0 3.0
   40    55    60    64   0.86500  1.0 1.0
   40    55    60    64  -0.17500 -1.0 2.0
   40    55    60    64   0.20800  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    48   0.15000  1.0 3.0
   41    40    55    54   0.15000  1.0 3.0
   41    40    55    56   0.15000  1.0 3.0
   41    40    55    60   0.15000  1.0 3.0
   44    40   -55    54   0.34400  1.0 1.0
   44    40   -55    54   0.09450 -1.0 2.0
   44    40   -55    54   0.11100  1.0 3.0
   44    40    55    56   0.15000  1.0 3.0
   44    40    55    60   3.97050  1.0 1.0
   44    48   -54    55   7.00000 -1.0 2.0
   44    48    54    57   7.00000 -1.0 2.0
   45    44    48    49   0.33100  1.0 3.0
   45    44    48    54   0.00000  1.0 1.0
   46    44    48    49   0.33100  1.0 3.0
   46    44    48    54   0.00000  1.0 1.0
   48    54   -55    40   0.09850  1.0 1.0
   48    54   -55    40   0.15250 -1.0 2.0
   48    54   -55    40  -0.50650  1.0 3.0
   48    54    55    56   0.00000  1.0 1.0
   48    54    55    60   0.09850  1.0 1.0
   48    54    55    60   0.15250 -1.0 2.0
   48    54    55    60  -0.50650  1.0 3.0
   48    54    57    58   0.00000  1.0 1.0
   48    54    57    59   0.00000  1.0 1.0
   48    54    57    62   0.67800  1.0 1.0
   48    54    57    62   0.47050 -1.0 2.0
   48    54    57    62  -0.62500  1.0 3.0
   49    48    54    55   7.00000 -1.0 2.0
   49    48    54    57   7.00000 -1.0 2.0
   54    55    60    61   0.15000  1.0 3.0
   54    55    60    39   0.61850  1.0 1.0
   54    55    60    39  -0.22750 -1.0 2.0
   54    55    60    39   0.15300  1.0 3.0
   54    55    60    64   1.05650  1.0 1.0
   54    55    60    64   0.15600 -1.0 2.0
   54    55    60    64   0.53150  1.0 3.0
   54    57    62    63  -0.07800  1.0 1.0
   54    57    62    63  -0.21500 -1.0 2.0
   54    57    62    63  -0.03150  1.0 3.0
   55    40    44    45   0.15000  1.0 3.0
   55    40    44    46   0.15000  1.0 3.0
   55    40   -44    48   0.34400  1.0 1.0
   55    40   -44    48   0.09450 -1.0 2.0
   55    40   -44    48   0.11100  1.0 3.0
   55    54    57    58   0.34800  1.0 3.0
   55    54    57    59   0.34800  1.0 3.0
   55    54    57    62   0.18000  1.0 1.0
   55    54    57    62   0.16450 -1.0 2.0
   55    54    57    62   0.04450  1.0 3.0
   55    60   -39    33   0.06250  1.0 1.0
   55    60   -39    33  -0.01100 -1.0 2.0
   55    60   -39    33   0.28050  1.0 3.0
   55    60    64    65  -0.11600  1.0 1.0
   55    60    64    65  -0.09450 -1.0 2.0
   55    60    64    65   0.21250  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    39   0.23400  1.0 3.0
   56    55    60    64   0.23400  1.0 3.0
   61    60    39    33   0.37050  1.0 3.0
   61    60    64    65   0.19450  1.0 3.0
   39    33   -38    40   0.09700  1.0 1.0
   39    33   -38    40   0.15600 -1.0 2.0
   39    33   -38    40  -0.50800  1.0 3.0
   39    33    38    42   0.39000  1.0 1.0
   39    33    38    42  -0.05800 -1.0 2.0
   39    33    38    42  -0.55150  1.0 3.0
   39    60    64    65  -0.50000  1.0 1.0
   39    60    64    65  -0.73950 -1.0 2.0
   39    60    64    65   0.17150  1.0 3.0
   64    60    39    33  -0.81800  1.0 1.0
   57    54    55    40   0.46850  1.0 1.0
   57    54    55    40   0.08550 -1.0 2.0
   57    54    55    40   0.09800  1.0 3.0
   57    54    55    56   0.34800  1.0 3.0
   57    54    55    60   0.46850  1.0 1.0
   57    54    55    60   0.08550 -1.0 2.0
   57    54    55    60   0.09800  1.0 3.0
   58    57    62    63   0.19450  1.0 3.0
   59    57    62    63   0.19450  1.0 3.0
   42    38    40    41   0.00000  1.0 1.0
   42    38    40    44   0.09850  1.0 1.0
   42    38    40    44   0.15250 -1.0 2.0
   42    38    40    44  -0.50650  1.0 3.0
   42    38    40    55   0.09850  1.0 1.0
   42    38    40    55   0.15250 -1.0 2.0
   42    38    40    55  -0.50650  1.0 3.0
   42    47    50    51   0.08050  1.0 3.0
   42    47    50    52   0.08050  1.0 3.0
   42    47    50    53   0.08050  1.0 3.0
   43    42    47    50   2.00000 -1.0 2.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   33    40    38    42   1.10000 -1.0 2.0
   44    49    48    54   1.10000 -1.0 2.0
   55    57    54    48   1.10000 -1.0 2.0
   43    47    42    38   1.10000 -1.0 2.0
END
