* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    133    217     388
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68818
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07484
    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   CM   _C16    36     1.73651    98.77407   161.77172
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C17    37     1.35382   123.18549   -90.01077
   38    37 S   N4   _N5_    38     1.35966   119.02252   177.90520
   39    37 S   CO3  _C19    71     1.52876   122.36213    -4.07304
   40    39 S   O2Z  _O36    72     1.25659   114.46655    90.00183
   41    39 S   O2Z  _O35    73     1.25679   114.47785   -90.06204
   42    38 S   C4   _C18    39     1.34739   139.35676   165.28036
   43    42 S   O    _O34    40     1.20893   133.85659     7.18982
   44    38 S   C4T  _C13    43     1.45701   122.99936   -12.49111
   45    44 S   HC   _H5_    44     1.10033   111.28328   -77.29333
   46    42 S   C4T  _C12    41     1.55749    89.73704  -169.29187
   47    46 S   HC   _H4_    42     1.09491   113.15261   107.29847
   48    44 S   CT   _C14    45     1.51311   108.25244    45.58306
   49    48 S   HC   _H12    46     1.09529   110.94070  -179.51867
   50    48 S   HC   _H13    47     1.09790   111.13398    61.17208
   51    33 S   CT   _C15    48     1.52951   115.80791    91.55394
   52    51 S   HC   _H14    49     1.09859   108.16144   -75.31022
   53    51 S   HC   _H15    50     1.09728   110.66652    42.03692
   54    46 S   N    _N4_    51     1.45979   114.27989  -122.94013
   55    54 S   H    _H11    52     1.00963   116.62528   -10.26215
   56    54 S   C    _C11    53     1.38012   122.75960   169.67572
   57    56 S   O    _O33    54     1.22894   125.48225    -0.02798
   58    56 S   CT1  _C10    55     1.52376   111.61411  -177.92566
   59    58 S   HC   _H3_    56     1.09718   108.90810   -32.03038
   60    58 S   CA   _C7_    57     1.51033   111.81057    90.33619
   61    58 S   NT   _N6_    68     1.44210   108.16873  -145.96229
   62    61 S   H    _H16    69     1.00622   118.96398  -160.41488
   63    61 S   H    _H17    70     1.00552   118.99892    33.02096
   64    60 S   CA   _C6_    58     1.39532   120.04887   -90.02502
   65    64 S   HA   _H8_    59     1.08689   120.50558     0.04423
   66    64 S   CA   _C5_    60     1.39439   119.98881   179.97202
   67    66 S   HA   _H7_    61     1.08656   119.95145   179.98022
   68    66 S   CA   _C4_    62     1.39492   120.03859     0.02798
   69    68 S   HA   _H6_    63     1.08615   119.99616   179.91607
   70    68 S   CA   _C9_    64     1.39468   119.99245     0.00000
   71    70 S   HA   _H10    65     1.08573   120.03203   180.00000
   72    60 S   CA   _C8_    66     1.39492   119.97853    89.97596
   73    72 S   HA   _H9_    67     1.08658   120.50868     0.06256
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   8   5   4   3
  13   2   1   1  13  14   5   1   1   9   4  12   7  10   4   6
   4   3   2   1   1   7   3   9   4  11   6  12   4   1   1   8
   4   6   3   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    48    51    52    53    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    44    48    49    50    51    52    53    39    40    41  
   35    36  
   36  
    0  
   38    42    43    46    44    45    48    51    52    53    39    40    41  
   42    43    46    47    44    45    48    49    50    51    54    39    40    41  
   40    41    42    44    51  
   41  
    0  
   43    46    47    44    45    48    54    55    56  
   46    47    44    54  
   45    48    49    50    51    52    53    54    55    56    46    47  
   48    49    50    51    54    46    47  
   47    48    49    50    51    54    55    56    57    58  
   48    54    55    56  
   49    50    51    52    53    54  
   50    51    52    53  
   51    52    53  
   52    53  
   53  
    0  
   55    56    57    58    59    60    61  
   56    57    58  
   57    58    59    60    64    72    61    62    63  
   58    59    60    61  
   59    60    64    65    66    70    72    73    61    62    63  
   60    64    72    61    62    63  
   64    65    66    67    68    70    71    72    73    61    62    63  
   62    63    64    72  
   63  
    0  
   65    66    67    68    69    70    72    73  
   66    67    68    72  
   67    68    69    70    71    72  
   68    69    70  
   69    70    71    72    73  
   70    71    72  
   71    72    73  
   72    73  
   73  
    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  -0.175000   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   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.259000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   39   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   42   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   44   3.5000   0.0660   0.003700   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.061200   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   55   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   56   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   58   3.5000   0.0660   0.278900   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   62   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   63   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   240.000  1.763
   33    37   549.000  1.340
   33    51   317.000  1.510
   37    38   400.000  1.384
   37    39   230.000  1.545
   38    42   440.000  1.369
   38    44   305.000  1.456
   42    43   930.000  1.212
   42    46   250.000  1.540
   46    47   340.000  1.090
   46    44   268.000  1.529
   46    54   337.000  1.449
   44    45   340.000  1.090
   44    48   260.000  1.519
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   54    55   434.000  1.010
   54    56   490.000  1.335
   56    57   570.000  1.229
   56    58   317.000  1.522
   58    59   340.000  1.090
   58    60   275.000  1.474
   58    61   305.000  1.457
   60    64   469.000  1.400
   60    72   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   367.000  1.080
   61    62   434.000  1.010
   61    63   434.000  1.010
   39    40   656.000  1.250
   39    41   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    65.00000  122.11800
   29    33    51    65.00000  117.37300
   33    37    38    75.00000  120.83300
   33    37    39    55.00000  124.75400
   33    51    48    70.00000  112.02700
   33    51    52    35.00000  109.50000
   33    51    53    35.00000  109.50000
   37    38    42    50.00000  132.10000
   37    38    44    50.00000  132.70000
   37    39    40    85.00000  113.83300
   37    39    41    85.00000  113.83300
   38    42    43    75.00000  131.60000
   38    42    46    95.00000   92.72400
   38    44    46   105.00000   87.49700
   38    44    45    50.00000  112.01000
   38    44    48    80.00000  110.05700
   42    46    47    40.00000  113.37500
   42    46    44   100.00000   86.36000
   42    46    54    75.00000  110.24000
   46    42    43    60.00000  136.58000
   46    44    45    37.50000  110.70000
   46    44    48    65.00000  119.52000
   46    54    55    38.00000  118.40000
   46    54    56    50.00000  121.90000
   44    38    42   100.00000   93.00000
   44    46    47    37.50000  110.70000
   44    48    49    45.00000  111.22300
   44    48    50    45.00000  111.22300
   44    48    51    70.00000  112.98000
   48    44    45    45.00000  112.72800
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   50    48    49    33.00000  107.80000
   51    33    37    70.00000  124.00000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   53    51    52    33.00000  107.80000
   54    46    47    50.00000  112.01000
   54    46    44    80.00000  110.05700
   54    56    57    80.00000  122.90000
   54    56    58    70.00000  116.60000
   56    54    55    35.00000  119.80000
   56    58    59    35.00000  109.50000
   56    58    60    70.00000  102.60000
   56    58    61    75.00000  111.54000
   58    56    57    80.00000  120.40000
   58    60    64    60.00000  125.54000
   58    60    72    60.00000  125.54000
   58    61    62    50.00000  111.55300
   58    61    63    50.00000  111.55300
   60    58    59    45.00000  110.88000
   60    64    65    35.00000  120.00000
   60    64    66    63.00000  120.00000
   60    72    70    63.00000  120.00000
   60    72    73    35.00000  120.00000
   64    66    67    35.00000  120.00000
   64    66    68    63.00000  120.00000
   66    64    65    35.00000  120.00000
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    35.00000  120.00000
   72    60    64    63.00000  120.00000
   72    70    71    35.00000  120.00000
   61    58    59    50.00000  109.55000
   61    58    60    75.00000  112.33000
   63    61    62    43.60000  106.40000
   39    37    38    80.00000  114.48000
   41    39    40    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.00000  1.0 1.0
   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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   1.00000 -1.0 2.0
   24    29    33    51   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   7.00000 -1.0 2.0
   29    33    37    39   7.00000 -1.0 2.0
   29    33    51    48   0.09700  1.0 1.0
   29    33    51    48   0.15600 -1.0 2.0
   29    33    51    48  -0.50800  1.0 3.0
   29    33    51    52   0.00000  1.0 1.0
   29    33    51    53   0.00000  1.0 1.0
   33    37    38    42   0.00000  1.0 1.0
   33    37    38    44   0.00000  1.0 1.0
   33    37    39    40  -0.04000 -1.0 2.0
   33    37    39    40  -0.29050  1.0 3.0
   33    37    39    41  -0.04000 -1.0 2.0
   33    37    39    41  -0.29050  1.0 3.0
   37    33    51    48   0.09850  1.0 1.0
   37    33    51    48   0.15250 -1.0 2.0
   37    33    51    48  -0.50650  1.0 3.0
   37    33    51    52   0.00000  1.0 1.0
   37    33    51    53   0.00000  1.0 1.0
   37    38    42    43   3.00000 -1.0 2.0
   37    38    42    46   3.00000 -1.0 2.0
   37    38   -44    46   0.00000  1.0 1.0
   37    38    44    45   0.00000  1.0 1.0
   37    38   -44    48   0.00000  1.0 1.0
   38    37    39    40   1.91650 -1.0 2.0
   38    37    39    41   1.91650 -1.0 2.0
   38    42    46    47   0.00000  1.0 1.0
   38    42   -46    44   3.00000 -1.0 2.0
   38    42    46    54   0.00000  1.0 1.0
   38    44    48    49   0.15000  1.0 3.0
   38    44    48    50   0.15000  1.0 3.0
   38    44    48    51   0.43900  1.0 1.0
   38    44    48    51   0.49100 -1.0 2.0
   38    44    48    51   0.28400  1.0 3.0
   42    38   -44    46   0.00000  1.0 1.0
   42    38    44    45   0.00000  1.0 1.0
   42    38    44    48   0.00000  1.0 1.0
   42    46   -44    38   3.00000 -1.0 2.0
   42    46   -44    45   0.15000  1.0 3.0
   42    46   -44    48  -0.95700  1.0 1.0
   42    46   -44    48  -0.18200 -1.0 2.0
   42    46   -44    48   0.29450  1.0 3.0
   42    46    54    55   0.00000  1.0 1.0
   42    46    54    56  -0.42300  1.0 1.0
   42    46    54    56  -0.07000 -1.0 2.0
   42    46    54    56   0.04150  1.0 3.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    44  -0.11250  1.0 1.0
   43    42    46    44   0.11400 -1.0 2.0
   43    42    46    44  -0.28950  1.0 3.0
   43    42    46    54   0.30150 -1.0 2.0
   46    44    48    49   0.00000  1.0 1.0
   46    44    48    50   0.00000  1.0 1.0
   46    44    48    51   0.04050  1.0 1.0
   46    44    48    51   0.63700 -1.0 2.0
   46    44    48    51   0.17650  1.0 3.0
   46    54    56    57   3.04450 -1.0 2.0
   46    54    56    58   1.15000  1.0 1.0
   46    54    56    58   3.04450 -1.0 2.0
   47    46   -44    38   0.15000  1.0 3.0
   47    46    44    45   0.15000  1.0 3.0
   47    46    44    48   0.15000  1.0 3.0
   47    46    54    55   0.00000  1.0 1.0
   47    46    54    56   0.00000  1.0 1.0
   44    38   -42    43   3.00000 -1.0 2.0
   44    38   -42    46   3.00000 -1.0 2.0
   44    46    54    55   0.00000  1.0 1.0
   44    46    54    56  -0.43950  1.0 1.0
   44    46    54    56  -0.08100 -1.0 2.0
   44    46    54    56   0.03350  1.0 3.0
   44    48   -51    33   0.34400  1.0 1.0
   44    48   -51    33   0.09450 -1.0 2.0
   44    48   -51    33   0.11100  1.0 3.0
   44    48    51    52   0.15000  1.0 3.0
   44    48    51    53   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    50   0.15000  1.0 3.0
   45    44    48    51   0.15000  1.0 3.0
   49    48    51    33   0.15000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   50    48    51    33   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    53   0.15000  1.0 3.0
   51    33   -37    38   7.00000 -1.0 2.0
   51    33    37    39   7.00000 -1.0 2.0
   54    46   -44    38   2.20050  1.0 1.0
   54    46   -44    38   0.63450 -1.0 2.0
   54    46   -44    38  -0.91300  1.0 3.0
   54    46    44    45   0.15000  1.0 3.0
   54    46    44    48   0.43900  1.0 1.0
   54    46    44    48   0.49100 -1.0 2.0
   54    46    44    48   0.28400  1.0 3.0
   54    56    58    59   0.00000  1.0 1.0
   54    56    58    60   0.00000  1.0 1.0
   54    56    58    61   0.00000  1.0 1.0
   55    54    56    57   2.45000 -1.0 2.0
   55    54    56    58   2.45000 -1.0 2.0
   56    58    60    64   0.04300 -1.0 2.0
   56    58    60    72   0.04300 -1.0 2.0
   56    58    61    62   0.21900  1.0 1.0
   56    58    61    62  -0.24900 -1.0 2.0
   56    58    61    62   0.15200  1.0 3.0
   56    58    61    63   0.21900  1.0 1.0
   56    58    61    63  -0.24900 -1.0 2.0
   56    58    61    63   0.15200  1.0 3.0
   57    56    58    59   0.00000  1.0 1.0
   57    56    58    60   0.30150 -1.0 2.0
   57    56    58    61   0.30150 -1.0 2.0
   58    60    64    65   3.62500 -1.0 2.0
   58    60    64    66   3.62500 -1.0 2.0
   58    60    72    70   3.62500 -1.0 2.0
   58    60    72    73   3.62500 -1.0 2.0
   59    58    60    64   0.00000  1.0 1.0
   59    58    60    72   0.00000  1.0 1.0
   59    58    61    62   0.20000  1.0 3.0
   59    58    61    63   0.20000  1.0 3.0
   60    58    61    62   0.76500  1.0 1.0
   60    58    61    62   0.05700 -1.0 2.0
   60    58    61    62  -0.90900  1.0 3.0
   60    58    61    63   0.76500  1.0 1.0
   60    58    61    63   0.05700 -1.0 2.0
   60    58    61    63  -0.90900  1.0 3.0
   60    64    66    67   3.62500 -1.0 2.0
   60    64    66    68   3.62500 -1.0 2.0
   64    60    72    70   3.62500 -1.0 2.0
   64    60    72    73   3.62500 -1.0 2.0
   64    66    68    69   3.62500 -1.0 2.0
   64    66   -68    70   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    68   3.62500 -1.0 2.0
   66    68    70    71   3.62500 -1.0 2.0
   66    68    70    72   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    70   -72    60   3.62500 -1.0 2.0
   68    70    72    73   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   71    70    72    60   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   72    60    64    65   3.62500 -1.0 2.0
   72    60   -64    66   3.62500 -1.0 2.0
   61    58    60    64   0.18550 -1.0 2.0
   61    58    60    64   0.14000  1.0 3.0
   61    58    60    72   0.18550 -1.0 2.0
   61    58    60    72   0.14000  1.0 3.0
   39    37    38    42   0.00000  1.0 1.0
   39    37    38    44   0.00000  1.0 1.0
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
   35    30    34    36  10.50000 -1.0 2.0
   29    51    33    37   1.10000 -1.0 2.0
   39    38    37    33   1.10000 -1.0 2.0
   44    42    38    37   1.00000 -1.0 2.0
   38    46    42    43  10.50000 -1.0 2.0
   55    56    54    46   1.00000 -1.0 2.0
   54    58    56    57  10.50000 -1.0 2.0
   64    72    60    58   4.00000 -1.0 2.0
   66    65    64    60   1.10000 -1.0 2.0
   68    67    66    64   1.10000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   70    73    72    60   1.10000 -1.0 2.0
   40    37    39    41  10.50000 -1.0 2.0
END
