* LIGAND DATABASE FILE (OPLS2005)
*
001      77    77    134    197     399
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02125    49.24975    98.41387
    3     1 S   H    _H1_     3     1.02178    63.12414  -106.02119
    4     1 S   H    _H2_     4     1.02093   105.93994    -2.82556
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C9_    36     1.83424    97.81623   161.84370
   34    33 S   HC   _H3_    37     1.12418   105.15267   -41.89306
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   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   CT   _C7_    38     1.54118   113.68828  -160.01879
   39    38 S   HC   _H32    39     1.14428   109.07172   164.55289
   40    38 S   CT   _C5_    40     1.53486   114.42319   -75.41295
   41    40 S   HC   _H30    41     1.10739   109.81417  -173.62117
   42    38 S   OH   _O33    76     1.42511   111.63690    49.83430
   43    42 S   HO   _H35    77     0.96886   106.25770    52.16679
   44    40 S   CT   _C4_    42     1.53375   111.87499   -52.72218
   45    44 S   HC   _H29    43     1.12302   109.48253   172.89759
   46    40 S   OS   _O21    69     1.42500   111.00105    68.98831
   47    44 S   CT   _C6_    44     1.53999   113.15351    50.49544
   48    47 S   HC   _H31    45     1.11305   109.18516  -170.63813
   49    44 S   OS   _O20    62     1.42597   109.57050   -72.55515
   50    46 S   P1   _P26    70     1.61345   118.18157   156.54711
   51    50 S   O2Z  _O8_    71     1.50135   115.16417    59.99315
   52    33 S   CT   _C8_    46     1.54187   111.16894    73.62880
   53    52 S   HC   _H33    47     1.11279   110.84047   -44.21543
   54    47 S   OS   _O22    55     1.42452   109.86513    73.99259
   55    49 S   P1   _P25    63     1.61185   118.04628   -80.00242
   56    55 S   O2Z  _O7_    64     1.50045   115.25156    59.97706
   57    50 S   OS   _O14    72     1.61732   103.84630   -67.04965
   58    57 S   HO   _H38    73     0.98124   118.92926  -173.08556
   59    50 S   OS   _O15    74     1.61761   102.57333  -174.36014
   60    59 S   HO   _H39    75     0.98135   118.89214   174.23088
   61    52 S   OS   _O23    48     1.43158   108.41565  -159.96988
   62    54 S   P1   _P27    56     1.61272   118.00327    79.95488
   63    62 S   O2Z  _O9_    57     1.50014   115.27533   -39.94717
   64    55 S   OS   _O34    65     1.61736   103.85096   -67.14126
   65    64 S   HO   _H36    66     0.98094   118.91240  -172.91064
   66    55 S   OS   _O13    67     1.61774   102.45773  -174.39045
   67    66 S   HO   _H37    68     0.98056   118.92709   174.18200
   68    61 S   P1   _P28    49     1.61305   118.08464   155.64698
   69    68 S   O2Z  _O10    50     1.50134   115.21939    59.97109
   70    62 S   OS   _O16    58     1.61761   103.87270  -167.08605
   71    70 S   HO   _H40    59     0.98053   118.95265  -172.92238
   72    62 S   OS   _O17    60     1.61730   102.44079    85.68133
   73    72 S   HO   _H41    61     0.98118   118.93094   174.21867
   74    68 S   OS   _O18    51     1.61684   103.88606   -67.07766
   75    74 S   HO   _H42    52     0.98098   118.98804  -172.96622
   76    68 S   OS   _O19    53     1.61698   102.50850  -174.38190
   77    76 S   HO   _H43    54     0.98123   118.96397   174.24721
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  14   7  16   7   4   1  15   7   8  12   6
   8   5   4   8   3   7   5   4   3   1   1   1   6   5   4   3
   1   1   1   5   4   3   1   1   1   3   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    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    52    53    61    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    48    52    53    61    68    54    46    42    43  
   38    39    40    47    52    53    61    42  
   36    37  
   37  
    0  
   39    40    41    44    45    47    52    53    61    49    46    50    42    43  
   40    41    44    52    46    42    43  
   41    44    45    47    48    52    54    49    55    46    50    51    57    59    42    43  
   44    45    47    49    46    50    42  
   43    44    46    52  
    0  
   45    47    48    52    53    61    54    62    49    55    56    64    66    46    50  
   47    48    52    54    49    55    46  
   50    51    57    58    59    60    47    49  
   48    52    53    61    68    54    62    63    70    72    49    55  
   52    53    61    54    62    49  
   55    56    64    65    66    67    52    54  
   51    57    58    59    60  
   57    58    59    60  
   53    61    68    69    74    76    54    62  
   61    68    54  
   62    63    70    71    72    73    61  
   56    64    65    66    67  
   64    65    66    67  
   58    59    60  
   59  
   60  
    0  
   68    69    74    75    76    77  
   63    70    71    72    73  
   70    71    72    73  
   65    66    67  
   66  
   67  
    0  
   69    74    75    76    77  
   74    75    76    77  
   71    72    73  
   72  
   73  
    0  
   75    76    77  
   76  
   77  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   50   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   51   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   52   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   55   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   56   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   57   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   59   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   61   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   62   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   63   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   64   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   66   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   69   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   70   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   72   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   74   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   76   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.380000   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   268.000  1.529
   33    52   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    47   268.000  1.529
   44    49   320.000  1.410
   47    48   340.000  1.090
   47    52   268.000  1.529
   47    54   320.000  1.410
   52    53   340.000  1.090
   52    61   320.000  1.410
   61    68   405.000  1.623
   68    69   675.000  1.490
   68    74   405.000  1.623
   68    76   405.000  1.623
   74    75   553.000  0.945
   76    77   553.000  0.945
   54    62   405.000  1.623
   62    63   675.000  1.490
   62    70   405.000  1.623
   62    72   405.000  1.623
   70    71   553.000  0.945
   72    73   553.000  0.945
   49    55   405.000  1.623
   55    56   675.000  1.490
   55    64   405.000  1.623
   55    66   405.000  1.623
   64    65   553.000  0.945
   66    67   553.000  0.945
   46    50   405.000  1.623
   50    51   675.000  1.490
   50    57   405.000  1.623
   50    59   405.000  1.623
   57    58   553.000  0.945
   59    60   553.000  0.945
   42    43   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    52    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    52    47    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    61    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    47    58.35000  112.70000
   40    44    49    50.00000  109.50000
   40    46    50    75.00000  119.24600
   44    40    41    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    52    58.35000  112.70000
   44    47    54    50.00000  109.50000
   44    49    55    75.00000  119.24600
   47    44    45    37.50000  110.70000
   47    52    53    37.50000  110.70000
   47    52    61    50.00000  109.50000
   47    54    62    75.00000  119.24600
   52    33    34    37.50000  110.70000
   52    33    38    58.35000  112.70000
   52    47    48    37.50000  110.70000
   52    61    68    75.00000  119.24600
   61    52    53    35.00000  109.50000
   61    68    69   100.00000  115.86100
   61    68    74   120.00000  102.38000
   61    68    76   120.00000  102.38000
   68    74    75    50.00000  113.86100
   68    76    77    50.00000  113.86100
   74    68    69   100.00000  115.86100
   76    68    69   100.00000  115.86100
   76    68    74   120.00000  102.38000
   54    47    48    35.00000  109.50000
   54    47    52    50.00000  109.50000
   54    62    63   100.00000  115.86100
   54    62    70   120.00000  102.38000
   54    62    72   120.00000  102.38000
   62    70    71    50.00000  113.86100
   62    72    73    50.00000  113.86100
   70    62    63   100.00000  115.86100
   72    62    63   100.00000  115.86100
   72    62    70   120.00000  102.38000
   49    44    45    35.00000  109.50000
   49    44    47    50.00000  109.50000
   49    55    56   100.00000  115.86100
   49    55    64   120.00000  102.38000
   49    55    66   120.00000  102.38000
   55    64    65    50.00000  113.86100
   55    66    67    50.00000  113.86100
   64    55    56   100.00000  115.86100
   66    55    56   100.00000  115.86100
   66    55    64   120.00000  102.38000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   46    50    51   100.00000  115.86100
   46    50    57   120.00000  102.38000
   46    50    59   120.00000  102.38000
   50    57    58    50.00000  113.86100
   50    59    60    50.00000  113.86100
   57    50    51   100.00000  115.86100
   59    50    51   100.00000  115.86100
   59    50    57   120.00000  102.38000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    52    47   0.44750  1.0 1.0
   29    33    52    47  -0.17800 -1.0 2.0
   29    33    52    47   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    61   0.56750  1.0 1.0
   29    33    52    61  -0.07550 -1.0 2.0
   29    33    52    61   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.62750  1.0 1.0
   33    38    40    46  -0.30950 -1.0 2.0
   33    38    40    46   0.27300  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    52    61    68  -2.65550  1.0 1.0
   33    52    61    68  -0.22350 -1.0 2.0
   33    52    61    68   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    52    47   0.15000  1.0 3.0
   34    33    52    53   0.15000  1.0 3.0
   34    33    52    61   0.23400  1.0 3.0
   38    33    52    47   0.56750  1.0 1.0
   38    33    52    47  -0.07550 -1.0 2.0
   38    33    52    47   0.20000  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    61   0.62750  1.0 1.0
   38    33    52    61  -0.30950 -1.0 2.0
   38    33    52    61   0.27300  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    47   0.56750  1.0 1.0
   38    40   -44    47  -0.07550 -1.0 2.0
   38    40   -44    47   0.20000  1.0 3.0
   38    40    44    49   0.62750  1.0 1.0
   38    40    44    49  -0.30950 -1.0 2.0
   38    40    44    49   0.27300  1.0 3.0
   38    40    46    50  -2.65550  1.0 1.0
   38    40    46    50  -0.22350 -1.0 2.0
   38    40    46    50   0.24150  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    47    48   0.15000  1.0 3.0
   40    44    47    52   0.56750  1.0 1.0
   40    44    47    52  -0.07550 -1.0 2.0
   40    44    47    52   0.20000  1.0 3.0
   40    44    47    54   0.62750  1.0 1.0
   40    44    47    54  -0.30950 -1.0 2.0
   40    44    47    54   0.27300  1.0 3.0
   40    44    49    55  -2.65550  1.0 1.0
   40    44    49    55  -0.22350 -1.0 2.0
   40    44    49    55   0.24150  1.0 3.0
   40    46    50    51   0.00000  1.0 1.0
   40    46    50    57   0.91800  1.0 1.0
   40    46    50    57   0.22900 -1.0 2.0
   40    46    50    57   0.32050  1.0 3.0
   40    46    50    59   0.91800  1.0 1.0
   40    46    50    59   0.22900 -1.0 2.0
   40    46    50    59   0.32050  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   41    40    44    49   0.23400  1.0 3.0
   41    40    46    50   0.03000  1.0 3.0
   44    40    46    50  -2.65550  1.0 1.0
   44    40    46    50  -0.22350 -1.0 2.0
   44    40    46    50   0.24150  1.0 3.0
   44    47   -52    33   0.56750  1.0 1.0
   44    47   -52    33  -0.07550 -1.0 2.0
   44    47   -52    33   0.20000  1.0 3.0
   44    47    52    53   0.15000  1.0 3.0
   44    47    52    61   0.62750  1.0 1.0
   44    47    52    61  -0.30950 -1.0 2.0
   44    47    52    61   0.27300  1.0 3.0
   44    47    54    62  -2.65550  1.0 1.0
   44    47    54    62  -0.22350 -1.0 2.0
   44    47    54    62   0.24150  1.0 3.0
   44    49    55    56   0.00000  1.0 1.0
   44    49    55    64   0.91800  1.0 1.0
   44    49    55    64   0.22900 -1.0 2.0
   44    49    55    64   0.32050  1.0 3.0
   44    49    55    66   0.91800  1.0 1.0
   44    49    55    66   0.22900 -1.0 2.0
   44    49    55    66   0.32050  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    52   0.15000  1.0 3.0
   45    44    47    54   0.23400  1.0 3.0
   45    44    49    55   0.03000  1.0 3.0
   47    44    49    55  -2.65550  1.0 1.0
   47    44    49    55  -0.22350 -1.0 2.0
   47    44    49    55   0.24150  1.0 3.0
   47    52    61    68  -2.65550  1.0 1.0
   47    52    61    68  -0.22350 -1.0 2.0
   47    52    61    68   0.24150  1.0 3.0
   47    54    62    63   0.00000  1.0 1.0
   47    54    62    70   0.91800  1.0 1.0
   47    54    62    70   0.22900 -1.0 2.0
   47    54    62    70   0.32050  1.0 3.0
   47    54    62    72   0.91800  1.0 1.0
   47    54    62    72   0.22900 -1.0 2.0
   47    54    62    72   0.32050  1.0 3.0
   48    47    52    33   0.15000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    61   0.23400  1.0 3.0
   48    47    54    62   0.03000  1.0 3.0
   52    33    38    39   0.15000  1.0 3.0
   52    33   -38    40   0.56750  1.0 1.0
   52    33   -38    40  -0.07550 -1.0 2.0
   52    33   -38    40   0.20000  1.0 3.0
   52    33    38    42   0.86500  1.0 1.0
   52    33    38    42  -0.17500 -1.0 2.0
   52    33    38    42   0.20800  1.0 3.0
   52    47    54    62  -2.65550  1.0 1.0
   52    47    54    62  -0.22350 -1.0 2.0
   52    47    54    62   0.24150  1.0 3.0
   52    61    68    69   0.00000  1.0 1.0
   52    61    68    74   0.91800  1.0 1.0
   52    61    68    74   0.22900 -1.0 2.0
   52    61    68    74   0.32050  1.0 3.0
   52    61    68    76   0.91800  1.0 1.0
   52    61    68    76   0.22900 -1.0 2.0
   52    61    68    76   0.32050  1.0 3.0
   53    52    61    68   0.03000  1.0 3.0
   61    68    74    75  -0.22900  1.0 1.0
   61    68    74    75   0.09450 -1.0 2.0
   61    68    74    75  -0.07800  1.0 3.0
   61    68    76    77  -0.22900  1.0 1.0
   61    68    76    77   0.09450 -1.0 2.0
   61    68    76    77  -0.07800  1.0 3.0
   69    68    74    75   0.00000  1.0 1.0
   69    68    76    77   0.00000  1.0 1.0
   74    68    76    77  -0.22900  1.0 1.0
   74    68    76    77   0.09450 -1.0 2.0
   74    68    76    77  -0.07800  1.0 3.0
   76    68    74    75  -0.22900  1.0 1.0
   76    68    74    75   0.09450 -1.0 2.0
   76    68    74    75  -0.07800  1.0 3.0
   54    47    52    33   0.62750  1.0 1.0
   54    47    52    33  -0.30950 -1.0 2.0
   54    47    52    33   0.27300  1.0 3.0
   54    47    52    53   0.23400  1.0 3.0
   54    47    52    61   1.11900  1.0 1.0
   54    47    52    61  -1.16350 -1.0 2.0
   54    47    52    61  -0.34150  1.0 3.0
   54    62    70    71  -0.22900  1.0 1.0
   54    62    70    71   0.09450 -1.0 2.0
   54    62    70    71  -0.07800  1.0 3.0
   54    62    72    73  -0.22900  1.0 1.0
   54    62    72    73   0.09450 -1.0 2.0
   54    62    72    73  -0.07800  1.0 3.0
   63    62    70    71   0.00000  1.0 1.0
   63    62    72    73   0.00000  1.0 1.0
   70    62    72    73  -0.22900  1.0 1.0
   70    62    72    73   0.09450 -1.0 2.0
   70    62    72    73  -0.07800  1.0 3.0
   72    62    70    71  -0.22900  1.0 1.0
   72    62    70    71   0.09450 -1.0 2.0
   72    62    70    71  -0.07800  1.0 3.0
   49    44    47    48   0.23400  1.0 3.0
   49    44    47    52   0.62750  1.0 1.0
   49    44    47    52  -0.30950 -1.0 2.0
   49    44    47    52   0.27300  1.0 3.0
   49    44    47    54   1.11900  1.0 1.0
   49    44    47    54  -1.16350 -1.0 2.0
   49    44    47    54  -0.34150  1.0 3.0
   49    55    64    65  -0.22900  1.0 1.0
   49    55    64    65   0.09450 -1.0 2.0
   49    55    64    65  -0.07800  1.0 3.0
   49    55    66    67  -0.22900  1.0 1.0
   49    55    66    67   0.09450 -1.0 2.0
   49    55    66    67  -0.07800  1.0 3.0
   56    55    64    65   0.00000  1.0 1.0
   56    55    66    67   0.00000  1.0 1.0
   64    55    66    67  -0.22900  1.0 1.0
   64    55    66    67   0.09450 -1.0 2.0
   64    55    66    67  -0.07800  1.0 3.0
   66    55    64    65  -0.22900  1.0 1.0
   66    55    64    65   0.09450 -1.0 2.0
   66    55    64    65  -0.07800  1.0 3.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    47   0.62750  1.0 1.0
   46    40    44    47  -0.30950 -1.0 2.0
   46    40    44    47   0.27300  1.0 3.0
   46    40    44    49   1.11900  1.0 1.0
   46    40    44    49  -1.16350 -1.0 2.0
   46    40    44    49  -0.34150  1.0 3.0
   46    50    57    58  -0.22900  1.0 1.0
   46    50    57    58   0.09450 -1.0 2.0
   46    50    57    58  -0.07800  1.0 3.0
   46    50    59    60  -0.22900  1.0 1.0
   46    50    59    60   0.09450 -1.0 2.0
   46    50    59    60  -0.07800  1.0 3.0
   51    50    57    58   0.00000  1.0 1.0
   51    50    59    60   0.00000  1.0 1.0
   57    50    59    60  -0.22900  1.0 1.0
   57    50    59    60   0.09450 -1.0 2.0
   57    50    59    60  -0.07800  1.0 3.0
   59    50    57    58  -0.22900  1.0 1.0
   59    50    57    58   0.09450 -1.0 2.0
   59    50    57    58  -0.07800  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   3.69350  1.0 1.0
   42    38    40    46  -1.82950 -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
END
