* LIGAND DATABASE FILE (OPLS2005)
*
001      64    64    112    172     334
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02102    94.74687    32.04751
    3     1 S   H    _H1_     3     1.02112    33.71698   149.09508
    4     1 S   H    _H2_     4     1.02130    85.34552   -76.36955
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C13    36     1.82711    99.24383  -178.23986
   34    33 S   HC   _H4_    37     1.09426   108.88397   -42.98495
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C12    38     1.50912   107.34222  -159.99260
   39    33 S   NT   _N4_    62     1.46031   111.75548    78.08815
   40    39 S   H    _H13    63     1.01978   109.52681   -63.15200
   41    39 S   H    _H14    64     1.01837   109.37561  -178.64232
   42    38 S   CM   _C11    39     1.35244   122.01715   -62.57058
   43    42 S   OS   _O34    40     1.38106   123.95643  -176.63780
   44    42 S   OH   _O35    60     1.38220   120.18120     3.30896
   45    44 S   HO   _H15    61     0.96140   109.67299   179.97202
   46    43 S   CT   _C10    41     1.42811   114.89302    19.35193
   47    46 S   HC   _H11    42     1.09396   109.18561  -174.68780
   48    46 S   HC   _H12    43     1.09362   107.40251    69.18477
   49    46 S   CT   _C9_    44     1.51930   110.92189   -50.74904
   50    49 S   HC   _H9_    45     1.09801   109.19987  -179.67857
   51    49 S   HC   _H10    46     1.09527   110.74515   -63.03367
   52    38 S   CT   _C8_    47     1.52235   116.76541   118.01051
   53    52 S   CT   _C6_    48     1.53351   113.04430   -49.86456
   54    53 S   HC   _H3_    49     1.09399   108.21336    59.95526
   55    52 S   OH   _O36    58     1.43340   108.58400    68.08084
   56    55 S   HO   _H16    59     0.96931   106.18184    60.04587
   57    53 S   CM   _C5_    50     1.49832   110.57482  -177.76647
   58    57 S   HC   _H7_    51     1.08824   117.96814    60.13568
   59    53 S   CO4  _C7_    55     1.51742   109.12284   -56.08845
   60    59 S   O    _O33    56     1.22729   124.75008   176.85689
   61    59 S   HC   _H8_    57     1.10379   115.32604     0.90828
   62    57 S   CM   _C4_    52     1.33802   123.65292  -120.37306
   63    62 S   HC   _H5_    53     1.08426   121.54921  -180.00000
   64    62 S   HC   _H6_    54     1.08361   120.42573     0.01978
  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   8   5   4   3
  12   6   2   1   1  18   4   1   1  10   9   3   1   8   5   4
   9   4   3  10  11   7   3   1   7   4   3   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    52    39    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    49    52    53    55    44    39    40    41  
   38    42    52    39    40    41  
   36    37  
   37  
    0  
   42    43    46    49    50    51    52    53    54    57    59    55    56    44    45    39    40    41  
   40    41    42    52  
   41  
    0  
   43    46    47    48    49    52    53    55    44    45  
   46    47    48    49    50    51    52    44    45  
   45    46    52  
    0  
   47    48    49    50    51    52    53    55  
   48    49    50    51    52  
   49    50    51    52  
   50    51    52    53    54    57    59    55    56  
   51    52    53    55  
   52    53    55  
   53    54    57    58    62    59    60    61    55    56  
   54    57    58    62    63    64    59    60    61    55    56  
   57    58    62    59    60    61    55  
   56    57    59  
    0  
   58    62    63    64    59    60    61  
   62    63    64    59  
   60    61    62  
   61  
    0  
   63    64  
   64  
    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   0.287500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0150   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   40   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   41   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   43   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   61   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
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   382.000  1.448
   38    42   549.000  1.340
   38    52   317.000  1.510
   42    43   440.000  1.360
   42    44   510.000  1.338
   43    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   268.000  1.529
   52    55   320.000  1.410
   53    54   340.000  1.090
   53    57   317.000  1.510
   53    59   317.000  1.522
   57    58   340.000  1.080
   57    62   549.000  1.340
   62    63   340.000  1.080
   62    64   340.000  1.080
   59    60   570.000  1.229
   59    61   340.000  1.090
   55    56   553.000  0.945
   44    45   553.000  0.945
   39    40   434.000  1.010
   39    41   434.000  1.010
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  109.00000
   33    38    42    70.00000  124.00000
   33    38    52    65.00000  117.92700
   33    39    40    35.00000  109.50000
   33    39    41    35.00000  109.50000
   38    33    34    35.00000  109.50000
   38    42    43    80.00000  120.01400
   38    42    44    80.00000  121.38400
   38    52    49    70.00000  112.02700
   38    52    53    70.00000  112.02700
   38    52    55    90.00000  110.39200
   42    43    46    90.00000  111.18400
   42    44    45    70.00000  107.45700
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    49    50.00000  109.50000
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    52    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    52    53    58.35000  112.70000
   49    52    55    50.00000  109.50000
   51    49    50    33.00000  107.80000
   52    38    42    70.00000  124.00000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    53    54    37.50000  110.70000
   52    53    57    70.00000  112.02700
   52    53    59    63.00000  111.10000
   52    55    56    55.00000  108.50000
   53    57    58    35.00000  117.00000
   53    57    62    70.00000  124.00000
   53    59    60    80.00000  120.40000
   53    59    61    35.00000  115.00000
   57    53    54    35.00000  109.50000
   57    62    63    35.00000  120.00000
   57    62    64    35.00000  120.00000
   62    57    58    35.00000  120.00000
   64    62    63    35.00000  117.00000
   59    53    54    35.00000  109.50000
   59    53    57    70.00000  109.06800
   61    59    60    35.00000  123.00000
   55    52    53    50.00000  109.50000
   44    42    43   115.00000  116.36000
   39    33    34    35.00000  109.50000
   39    33    38    75.00000  110.70900
   41    39    40    43.60000  106.40000
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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    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    38    52   0.30250  1.0 1.0
   29    33    38    52  -0.14950 -1.0 2.0
   29    33    38    52   0.36900  1.0 3.0
   29    33    39    40  -0.05900  1.0 1.0
   29    33    39    40   0.08350 -1.0 2.0
   29    33    39    40   0.12500  1.0 3.0
   29    33    39    41  -0.05900  1.0 1.0
   29    33    39    41   0.08350 -1.0 2.0
   29    33    39    41   0.12500  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    44   7.00000 -1.0 2.0
   33    38    52    49   0.46850  1.0 1.0
   33    38    52    49   0.08550 -1.0 2.0
   33    38    52    49   0.09800  1.0 3.0
   33    38    52    53   0.46850  1.0 1.0
   33    38    52    53   0.08550 -1.0 2.0
   33    38    52    53   0.09800  1.0 3.0
   33    38    52    55   0.18000  1.0 1.0
   33    38    52    55   0.16450 -1.0 2.0
   33    38    52    55   0.04450  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    52   0.34800  1.0 3.0
   34    33    39    40   0.20000  1.0 3.0
   34    33    39    41   0.20000  1.0 3.0
   38    33    39    40   0.12450  1.0 1.0
   38    33    39    40  -0.40750 -1.0 2.0
   38    33    39    40   0.30300  1.0 3.0
   38    33    39    41   0.12450  1.0 1.0
   38    33    39    41  -0.40750 -1.0 2.0
   38    33    39    41   0.30300  1.0 3.0
   38    42    43    46  -2.26850  1.0 1.0
   38    42    43    46   3.39050 -1.0 2.0
   38    42    44    45  -0.66100  1.0 1.0
   38    42    44    45   1.20850 -1.0 2.0
   38    42    44    45  -0.36000  1.0 3.0
   38    52    53    54   0.15000  1.0 3.0
   38    52    53    57   0.31000  1.0 1.0
   38    52    53    57   0.14700 -1.0 2.0
   38    52    53    57   0.07550  1.0 3.0
   38    52    53    59  -0.98800  1.0 1.0
   38    52    53    59   0.48800 -1.0 2.0
   38    52    53    59   0.76800  1.0 3.0
   38    52    55    56  -0.07800  1.0 1.0
   38    52    55    56  -0.21500 -1.0 2.0
   38    52    55    56  -0.03150  1.0 3.0
   42    38    52    49   0.09850  1.0 1.0
   42    38    52    49   0.15250 -1.0 2.0
   42    38    52    49  -0.50650  1.0 3.0
   42    38    52    53   0.09850  1.0 1.0
   42    38    52    53   0.15250 -1.0 2.0
   42    38    52    53  -0.50650  1.0 3.0
   42    38    52    55   0.67800  1.0 1.0
   42    38    52    55   0.47050 -1.0 2.0
   42    38    52    55  -0.62500  1.0 3.0
   42    43    46    47   0.08050  1.0 3.0
   42    43    46    48   0.08050  1.0 3.0
   42    43   -46    49  -0.46850  1.0 1.0
   42    43   -46    49   0.09300 -1.0 2.0
   42    43   -46    49  -0.12850  1.0 3.0
   43    42    44    45   2.00000 -1.0 2.0
   43    46    49    50   0.23400  1.0 3.0
   43    46    49    51   0.23400  1.0 3.0
   43    46    49    52   0.62750  1.0 1.0
   43    46    49    52  -0.30950 -1.0 2.0
   43    46    49    52   0.27300  1.0 3.0
   46    49   -52    38   0.34400  1.0 1.0
   46    49   -52    38   0.09450 -1.0 2.0
   46    49   -52    38   0.11100  1.0 3.0
   46    49    52    53   0.56750  1.0 1.0
   46    49    52    53  -0.07550 -1.0 2.0
   46    49    52    53   0.20000  1.0 3.0
   46    49    52    55   0.86500  1.0 1.0
   46    49    52    55  -0.17500 -1.0 2.0
   46    49    52    55   0.20800  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    52   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51   0.15000  1.0 3.0
   48    46    49    52   0.15000  1.0 3.0
   49    52    53    54   0.15000  1.0 3.0
   49    52    53    57   0.34400  1.0 1.0
   49    52    53    57   0.09450 -1.0 2.0
   49    52    53    57   0.11100  1.0 3.0
   49    52    53    59  -0.95700  1.0 1.0
   49    52    53    59  -0.18200 -1.0 2.0
   49    52    53    59   0.29450  1.0 3.0
   49    52    55    56  -0.11600  1.0 1.0
   49    52    55    56  -0.09450 -1.0 2.0
   49    52    55    56   0.21250  1.0 3.0
   50    49    52    38   0.15000  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    55   0.23400  1.0 3.0
   51    49    52    38   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    55   0.23400  1.0 3.0
   52    38   -42    43   7.00000 -1.0 2.0
   52    38    42    44   7.00000 -1.0 2.0
   52    53    57    58   0.00000  1.0 1.0
   52    53    57    62   0.09850  1.0 1.0
   52    53    57    62   0.15250 -1.0 2.0
   52    53    57    62  -0.50650  1.0 3.0
   52    53    59    60   0.30150 -1.0 2.0
   52    53    59    61   0.74550  1.0 1.0
   52    53    59    61  -0.00500 -1.0 2.0
   53    52    55    56  -0.11600  1.0 1.0
   53    52    55    56  -0.09450 -1.0 2.0
   53    52    55    56   0.21250  1.0 3.0
   53    57    62    63   7.00000 -1.0 2.0
   53    57    62    64   7.00000 -1.0 2.0
   54    53    57    58   0.33100  1.0 3.0
   54    53    57    62   0.00000  1.0 1.0
   54    53    59    60   0.00000  1.0 1.0
   54    53    59    61   0.00000  1.0 1.0
   57    53    59    60   0.30150 -1.0 2.0
   57    53    59    61   0.81450  1.0 1.0
   57    53    59    61  -0.29600 -1.0 2.0
   57    53    59    61   0.60450  1.0 3.0
   58    57    62    63   7.00000 -1.0 2.0
   58    57    62    64   7.00000 -1.0 2.0
   59    53    57    58   0.00000  1.0 1.0
   59    53    57    62  -0.51250  1.0 1.0
   59    53    57    62  -0.88800 -1.0 2.0
   59    53    57    62   0.08850  1.0 3.0
   55    52    53    54   0.23400  1.0 3.0
   55    52    53    57   1.05650  1.0 1.0
   55    52    53    57   0.15600 -1.0 2.0
   55    52    53    57   0.53150  1.0 3.0
   55    52    53    59  -0.09450  1.0 1.0
   55    52    53    59  -1.12950 -1.0 2.0
   55    52    53    59   0.54000  1.0 3.0
   44    42    43    46   2.00000 -1.0 2.0
   39    33    38    42   0.90200  1.0 1.0
   39    33    38    42   0.57900 -1.0 2.0
   39    33    38    42  -0.62100  1.0 3.0
   39    33    38    52   0.52100  1.0 1.0
   39    33    38    52  -0.20350 -1.0 2.0
   39    33    38    52   0.29750  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
   33    52    38    42   1.10000 -1.0 2.0
   43    44    42    38   1.10000 -1.0 2.0
   53    58    57    62  15.00000 -1.0 2.0
   63    64    62    57  15.00000 -1.0 2.0
   53    61    59    60  10.50000 -1.0 2.0
END
