* LIGAND DATABASE FILE (OPLS2005)
*
001      88    92    161    258     460
    1     0 S   NP   _N1_     1    28.64038    94.92441   -20.71415
    2     1 S   H    _HN1     2     1.02961    88.64438    40.86882
    3     1 S   H    _H1_     3     1.02837    34.24528   164.63458
    4     1 S   H    _H2_     4     1.02780    87.39324   -67.53922
    5     1 S   CT   _CA1     5     1.50109   144.99155   165.90956
    6     5 S   HC   _HA1     6     1.09577   105.24265    58.38260
    7     5 S   CO3  _C1_     7     1.53788   112.38858   -61.83881
    8     7 S   O2Z  _O11     8     1.26357   115.01187   -44.45604
    9     7 S   O2Z  _O12     9     1.26241   114.91710   134.77230
   10     5 S   CT   _CB1    10     1.53104   107.43897   176.27543
   11    10 S   HC   HB11    11     1.09825   109.32912   -51.10646
   12    10 S   HC   HB12    12     1.09820   110.41915    65.43763
   13    10 S   CT   _CG1    13     1.53010   112.66767  -172.22729
   14    13 S   HC   HG11    14     1.09600   110.42274   -63.62529
   15    13 S   HC   HG12    15     1.09651   110.00499    55.59047
   16    13 S   C    _CD1    16     1.51808   112.33400   175.93668
   17    16 S   O    _OE1    17     1.22732   123.29910    -2.90785
   18    16 S   N    _N2_    18     1.38639   111.64577   177.28084
   19    18 S   H    _HN2    19     1.01597   119.05679     0.94998
   20    18 S   CT1  _CA2    20     1.46133   123.31030  -179.86583
   21    20 S   HC   _HA2    21     1.09758   109.30788   -10.35201
   22    20 S   C    _C2_    22     1.53382   108.45595  -125.74183
   23    22 S   O    _O2_    23     1.23011   122.25502  -145.59854
   24    20 S   CT   _CB2    32     1.53552   111.72500   111.59572
   25    24 S   HC   HB21    33     1.09512   109.57071    54.42819
   26    24 S   HC   HB22    34     1.09259   109.64949   173.27833
   27    22 S   N    _N3_    24     1.38506   113.36837    42.06630
   28    27 S   H    _HN3    25     1.01509   119.00754    -0.79942
   29    24 S   S    _SG2    35     1.82884   111.23555   -65.83856
   30    27 S   CT   _CA3    26     1.45428   123.20441   174.26670
   31    30 S   HC   HA31    27     1.09539   108.94404    29.95926
   32    30 S   HC   HA32    28     1.09484   107.19938   146.99281
   33    29 S   CT   _C13    36     1.88313   102.68271  -164.28700
   34    30 S   CO3  _C3_    29     1.52979   113.33144   -93.23654
   35    34 S   O2Z  _O31    30     1.26388   115.56062   -39.70701
   36    34 S   O2Z  _O32    31     1.26375   114.86914   141.17557
   37    33 S   CT   _C14    37     1.56158   105.53418  -171.76765
   38    37 S   HC   _H12    38     1.09421   108.83440  -165.52905
   39    37 S   HC   _H13    39     1.09658   110.74717   -49.99902
   40    33 S   CT   _C15    72     1.56437   108.74425    70.68548
   41    40 S   HC   _H14    73     1.09654   110.92285   -67.31177
   42    40 S   HC   _H15    74     1.09576   110.52972   176.24835
   43    37 S   S    _S2_    40     1.84025   120.39199    74.89316
   44    40 S   N5P  _N10    75     1.47618   115.93818    55.67620
   45    43 S   C4T  _C10    41     1.80944    99.53274     0.18767
   46    45 S   HC   _H4_    42     1.09489   114.40258   -84.77346
   47    44 S   C5B  _C16    76     1.39285   125.21172   -91.87544
   48    47 S   HA   _H16    77     1.07375   118.38471     0.71873
   49    45 S   C4T  _C9_    43     1.55386   117.57539   140.74405
   50    49 S   HC   _H3_    44     1.09565   113.67756   128.20254
   51    45 S   N4   _N9_    47     1.44909   109.65128    43.69228
   52    47 S   C5A  _C17    78     1.36510   107.68060   179.98022
   53    52 S   HA   _H17    79     1.07289   135.09845  -178.67470
   54    49 S   C4   _C11    45     1.55957    84.60635  -118.64236
   55    54 S   O    _O35    46     1.20851   136.99753  -174.56689
   56    33 S   CT1  _C12    48     1.56417   111.34503   -51.31425
   57    56 S   HC   _H5_    49     1.09529   111.38798    48.65608
   58    49 S   N    _N8_    53     1.47737   117.00074    -4.09419
   59    58 S   H    _H11    54     1.01762   118.88932    10.16889
   60    52 S   N56P _N11    80     1.37015   106.39408     2.85992
   61    56 S   CO3  _C22    50     1.55258   111.33238   165.83451
   62    61 S   O2Z  _O37    51     1.26227   116.31178    72.59288
   63    61 S   O2Z  _O36    52     1.26475   114.41015  -105.96474
   64    58 S   C    _C8_    55     1.37895   122.70709  -164.80022
   65    64 S   O    _O34    56     1.22075   128.19173    -4.89313
   66    44 S   C56P _C18    81     1.35068   126.74054    94.09724
   67    64 S   CD   _C5_    57     1.50796   112.90862   173.24077
   68    66 S   CAA  _C19    82     1.46949   130.98526     0.48739
   69    68 S   HA   _H18    83     1.08131   121.30990     1.98485
   70    67 S   CA5  _C6_    58     1.45378   119.16765   -71.34077
   71    67 S   NI   _N4_    66     1.29808   121.99009   108.28703
   72    68 S   CAB  _C20    84     1.33371   116.55318  -178.55802
   73    72 S   HA   _H19    85     1.08085   123.98268  -179.82086
   74    70 S   N5B  _N5_    59     1.39252   119.50181     6.79861
   75    71 S   OS   _O33    67     1.40175   111.41163    -0.75976
   76    72 S   CAB  _C21    86     1.48412   115.97169    -0.22814
   77    76 S   HA   _H20    87     1.10335   113.41490   179.28509
   78    74 S   CA5  _C7_    60     1.31428   109.51845   177.97590
   79    75 S   CT   _C4_    68     1.41970   108.15491   179.29473
   80    79 S   HC   _H6_    69     1.09316   108.47109  -179.97202
   81    79 S   HC   _H7_    70     1.09444   110.33833    60.99937
   82    79 S   HC   _H8_    71     1.09444   110.34055   -60.96493
   83    60 S   NAA  _N12    88     1.40327   124.90813   179.06476
   84    78 S   SA   _S1_    61     1.72096   111.20283     1.26548
   85    78 S   NE   _N7_    63     1.34380   126.04789  -178.24487
   86    85 S   H    _H9_    64     1.01837   120.63568     3.07765
   87    85 S   H    _H10    65     1.01329   122.70183   179.96044
   88    70 S   N5B  _N6_    62     1.33738   121.77275  -174.46678
  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  13   5   4   3
  18   2   1   1  14   5   4  14   5   4   8  11  12   6   7   4
  10   6   8   6   3   7   2   4   3   6   3   7   2   1   1   7
   3   6   8   6   3   7   7   4   3   6   4   2   1   5   3   2
   1   1   1   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    51    56    57    61    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    45    54    51    56    57    61    62    63    40    41    42    44    47    66  
   35    36  
   36  
    0  
   38    39    43    45    46    49    51    56    57    61    40    41    42    44  
   39    43    45    56    40  
   43    45    56    40  
   41    42    44    47    48    52    60    66    68    43    51    56    57    61  
   42    44    47    66    56  
   44    47    66    56  
   45    46    49    50    54    51    56    58  
   47    48    52    53    60    66    68    69    72    83    56  
   46    49    50    54    55    51    56    57    61    58    59    64  
   49    50    54    51    56    58  
   48    52    53    60    66    68    83  
   52    53    60    66  
   50    54    55    51    56    58    59    64    65    67  
   54    55    51    58    59    64  
   56    57    61    62    63    58    54    55  
   53    60    66    68    76    83  
   60    66    83  
   55    56    57    61    58    59    64  
   56    58  
   57    61    62    63  
   61    62    63  
   59    64    65    67    70    71  
   64    65    67  
   66    68    69    72    76    77    83  
   62    63  
   63  
    0  
   65    67    70    74    88    71    75  
   67    70    71  
   68    69    72    73    76    83  
   70    74    78    84    88    71    75    79  
   69    72    73    76    77    83  
   72    73    76  
   74    78    84    88    85    71    75  
   75    79    80    81    82    74    88  
   73    76    77    83  
   76    77    83  
   78    84    88    85    86    87  
   79    80    81    82  
   77    83  
   83  
   84    88    85    86    87  
   80    81    82  
   81    82  
   82  
    0  
    0  
   88    85    86    87  
   86    87    88  
   87  
    0  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.2500   0.1700  -0.141100   1.9750   1.7500   0.001000000  -0.511443539
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0700   0.032500   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.241500   1.3810   1.2100   0.030040813   0.268726247
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   52   3.5500   0.0700  -0.426400   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.308200   1.3810   1.2100   0.030040813   0.268726247
   54   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   56   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   59   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.2500   0.1700   0.610400   1.8650   1.6500   0.001000000  -0.511443539
   61   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   64   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   66   3.5500   0.0700   0.238100   2.5000   1.7750   0.001000000  -0.843144165
   67   3.7500   0.1050   0.385300   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5500   0.0700  -0.135300   2.5000   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.219600   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.504400   2.0020   1.7750   0.001000000  -0.843144165
   71   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   72   3.5500   0.0700  -0.256200   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.230000   1.3810   1.2100   0.030040813   0.268726247
   74   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   75   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   76   3.5500   0.0700   0.309500   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.145600   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700   0.425300   2.0020   1.7750   0.001000000  -0.843144165
   79   3.5000   0.0660   0.042500   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.2800   0.1700  -0.498900   1.8650   1.6500   0.001000000  -0.511443539
   84   3.5600   0.3950   0.119700   2.0080   1.7800   0.025682759  -1.666211680
   85   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   86   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   87   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   88   3.2500   0.1700  -0.365000   1.8000   1.6000   0.001000000  -0.511443539
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   222.000  1.810
   33    37   268.000  1.529
   33    56   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   222.000  1.810
   43    45   200.000  1.824
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    51   305.000  1.456
   49    50   340.000  1.090
   49    54   250.000  1.540
   49    58   337.000  1.449
   54    55   930.000  1.212
   54    51   440.000  1.369
   51    56   337.000  1.449
   56    57   340.000  1.090
   56    61   317.000  1.522
   61    62   656.000  1.250
   61    63   656.000  1.250
   58    59   434.000  1.010
   58    64   490.000  1.335
   64    65   570.000  1.229
   64    67   270.000  1.486
   67    70   305.000  1.466
   67    71   500.000  1.261
   70    74   525.000  1.333
   70    88   525.000  1.333
   74    78   525.000  1.333
   78    84   255.000  1.769
   78    85   481.000  1.340
   84    88   260.000  1.695
   85    86   434.000  1.010
   85    87   434.000  1.010
   71    75   320.000  1.394
   75    79   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   300.000  1.456
   44    47   420.000  1.386
   44    66   515.000  1.335
   47    48   367.000  1.080
   47    52   520.000  1.370
   52    53   367.000  1.080
   52    60   427.000  1.381
   60    66   535.000  1.325
   60    83   400.000  1.349
   66    68   485.000  1.375
   68    69   385.000  1.085
   68    72   500.000  1.367
   72    73   385.000  1.085
   72    76   420.000  1.406
   76    77   385.000  1.085
   76    83   555.000  1.319
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    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    37    75.00000  111.63000
   29    33    56    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    75.00000  111.63000
   33    56    51    80.00000  109.70000
   33    56    57    37.50000  110.70000
   33    56    61    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    75.00000  111.19500
   37    43    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    45.00000  109.41400
   43    45    49    65.00000  119.05700
   43    45    51    80.00000  108.62000
   45    49    50    37.50000  110.70000
   45    49    54   100.00000   86.36000
   45    49    58    80.00000  110.05700
   45    51    54   100.00000   93.00000
   45    51    56    50.00000  132.70000
   49    45    46    37.50000  110.70000
   49    54    55    60.00000  136.58000
   49    54    51    95.00000   92.72400
   49    58    59    38.00000  118.40000
   49    58    64    50.00000  121.90000
   54    49    50    40.00000  113.37500
   54    51    56    50.00000  132.10000
   51    45    46    50.00000  112.01000
   51    45    49   105.00000   87.49700
   51    54    55    75.00000  131.60000
   51    56    57    35.00000  109.50000
   51    56    61    63.00000  110.10000
   56    33    37    58.35000  112.70000
   56    61    62    70.00000  117.00000
   56    61    63    70.00000  117.00000
   61    56    57    35.00000  109.50000
   63    61    62    80.00000  126.00000
   58    49    50    50.00000  112.01000
   58    49    54    75.00000  110.24000
   58    64    65    80.00000  122.90000
   58    64    67    75.00000  109.57000
   64    58    59    35.00000  119.80000
   64    67    70    75.00000  114.44000
   64    67    71    65.00000  123.79500
   67    64    65    80.00000  120.45000
   67    70    74    60.00000  126.00000
   67    70    88    60.00000  126.00000
   67    71    75   100.00000  109.52600
   70    74    78    90.00000  108.12000
   70    88    84    95.00000  106.08000
   74    78    84    80.00000  117.16000
   74    78    85    70.00000  120.00000
   78    84    88   120.00000   95.04000
   78    85    86    35.00000  113.50000
   78    85    87    35.00000  113.50000
   88    70    74    85.00000  114.42000
   85    78    84    70.00000  123.00000
   87    85    86    35.00000  109.00000
   71    67    70    65.00000  124.33800
   71    75    79   110.00000  106.71400
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    82    35.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    56    58.35000  112.70000
   40    44    47    65.00000  125.09000
   40    44    66    70.00000  114.00000
   42    40    41    33.00000  107.80000
   44    40    41    50.00000  107.70000
   44    40    42    50.00000  107.70000
   44    47    48    45.00000  117.61300
   44    47    52    85.00000  109.61400
   44    66    60    80.00000  116.60800
   44    66    68    65.00000  128.71400
   47    52    53    35.00000  130.70000
   47    52    60    70.00000  106.30000
   52    47    48    35.00000  128.20000
   52    60    66    80.00000  113.80000
   52    60    83    56.00000  113.10000
   60    52    53    35.00000  121.60000
   60    66    68    60.00000  128.22000
   60    83    76   110.00000  103.73000
   66    44    47    85.00000  110.55600
   66    68    69    40.00000  119.43200
   66    68    72    70.00000  116.43900
   68    72    73    40.00000  119.50000
   68    72    76    65.00000  119.42000
   72    68    69    40.00000  122.81700
   72    76    77    40.00000  119.95700
   72    76    83    65.00000  126.21000
   76    72    73    40.00000  119.95700
   83    60    66    75.00000  115.00000
   83    76    77    50.00000  116.56000
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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    56    51   0.71400  1.0 1.0
   29    33    56    51   0.04300 -1.0 2.0
   29    33    56    51   0.01450  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    61  -2.17200  1.0 1.0
   29    33    56    61  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    43    45  -0.25000 -1.0 2.0
   33    37    43    45  -0.01800  1.0 3.0
   33    56    61    62   0.00000  1.0 1.0
   33    56    61    63   0.00000  1.0 1.0
   33    40    44    47   1.10250  1.0 1.0
   33    40    44    47   0.01650 -1.0 2.0
   33    40    44    47   0.39100  1.0 3.0
   33    40    44    66   1.10250  1.0 1.0
   33    40    44    66   0.01650 -1.0 2.0
   33    40    44    66   0.39100  1.0 3.0
   37    33    56    51   0.42250  1.0 1.0
   37    33    56    51  -0.48100 -1.0 2.0
   37    33    56    51   0.35650  1.0 3.0
   37    33    56    57   0.15000  1.0 3.0
   37    33    56    61  -0.84850  1.0 1.0
   37    33    56    61  -0.22800 -1.0 2.0
   37    33    56    61   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    44  -0.64600  1.0 1.0
   37    33    40    44   0.58400 -1.0 2.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    49   0.25150  1.0 1.0
   37    43    45    49  -1.17200 -1.0 2.0
   37    43    45    49   0.53050  1.0 3.0
   37    43   -45    51   0.01700  1.0 1.0
   37    43   -45    51  -0.23550 -1.0 2.0
   37    43   -45    51   0.21350  1.0 3.0
   38    37    43    45   0.32350  1.0 3.0
   39    37    43    45   0.32350  1.0 3.0
   43    45    49    50   0.00000  1.0 1.0
   43    45    49    54   0.00000  1.0 1.0
   43    45    49    58   0.00000  1.0 1.0
   43    45   -51    54   0.00000  1.0 1.0
   43    45    51    56   0.00000  1.0 1.0
   45    49    54    55  -0.11250  1.0 1.0
   45    49    54    55   0.11400 -1.0 2.0
   45    49    54    55  -0.28950  1.0 3.0
   45    49   -54    51   3.00000 -1.0 2.0
   45    49    58    59   0.00000  1.0 1.0
   45    49    58    64  -0.43950  1.0 1.0
   45    49    58    64  -0.08100 -1.0 2.0
   45    49    58    64   0.03350  1.0 3.0
   45    51   -56    33   0.00000  1.0 1.0
   45    51    56    57   0.00000  1.0 1.0
   45    51    56    61   0.00000  1.0 1.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    54   0.15000  1.0 3.0
   46    45    49    58   0.15000  1.0 3.0
   46    45   -51    54   0.00000  1.0 1.0
   46    45    51    56   0.00000  1.0 1.0
   49    45   -51    54   0.00000  1.0 1.0
   49    45    51    56   0.00000  1.0 1.0
   49    54   -51    45   3.00000 -1.0 2.0
   49    54   -51    56   3.00000 -1.0 2.0
   49    58    64    65   3.04450 -1.0 2.0
   49    58    64    67   1.49850  1.0 1.0
   49    58    64    67   1.53950 -1.0 2.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    51   0.00000  1.0 1.0
   50    49    58    59   0.00000  1.0 1.0
   50    49    58    64   0.00000  1.0 1.0
   54    49    58    59   0.00000  1.0 1.0
   54    49    58    64  -0.42300  1.0 1.0
   54    49    58    64  -0.07000 -1.0 2.0
   54    49    58    64   0.04150  1.0 3.0
   54    51    56    33   0.00000  1.0 1.0
   54    51    56    57   0.00000  1.0 1.0
   54    51    56    61   0.00000  1.0 1.0
   55    54   -51    45   3.00000 -1.0 2.0
   55    54    51    56   3.00000 -1.0 2.0
   51    45   -49    50   0.15000  1.0 3.0
   51    45   -49    54   3.00000 -1.0 2.0
   51    45    49    58   2.20050  1.0 1.0
   51    45    49    58   0.63450 -1.0 2.0
   51    45    49    58  -0.91300  1.0 3.0
   51    56    61    62   0.00000  1.0 1.0
   51    56    61    63   0.00000  1.0 1.0
   56    33    37    38   0.15000  1.0 3.0
   56    33    37    39   0.15000  1.0 3.0
   56    33   -37    43   0.44750  1.0 1.0
   56    33   -37    43  -0.17800 -1.0 2.0
   56    33   -37    43   0.20200  1.0 3.0
   56    33    40    41   0.15000  1.0 3.0
   56    33    40    42   0.15000  1.0 3.0
   56    33    40    44  -0.64600  1.0 1.0
   56    33    40    44   0.58400 -1.0 2.0
   57    56    61    62   0.00000  1.0 1.0
   57    56    61    63   0.00000  1.0 1.0
   58    49    54    55   0.30150 -1.0 2.0
   58    49   -54    51   0.00000  1.0 1.0
   58    64    67    70   1.50000 -1.0 2.0
   58    64    67    71   1.50000 -1.0 2.0
   59    58    64    65   2.45000 -1.0 2.0
   59    58    64    67   2.56700 -1.0 2.0
   64    67    70    74   0.30050 -1.0 2.0
   64    67    70    74   0.16600  1.0 3.0
   64    67    70    88   0.30050 -1.0 2.0
   64    67    70    88   0.16600  1.0 3.0
   64    67    71    75   6.00000 -1.0 2.0
   65    64    67    70   1.00000 -1.0 2.0
   65    64    67    71   1.00000 -1.0 2.0
   67    70    74    78   3.62500 -1.0 2.0
   67    70    88    84   3.62500 -1.0 2.0
   67    71    75    79   1.50000 -1.0 2.0
   70    67    71    75   6.00000 -1.0 2.0
   70    74   -78    84   3.62500 -1.0 2.0
   70    74    78    85   3.62500 -1.0 2.0
   74    70   -88    84   3.62500 -1.0 2.0
   74    78   -84    88   3.62500 -1.0 2.0
   74    78    85    86   1.75000 -1.0 2.0
   74    78    85    87   1.75000 -1.0 2.0
   78    84   -88    70   3.62500 -1.0 2.0
   84    78    85    86   0.47600 -1.0 2.0
   84    78    85    87   0.47600 -1.0 2.0
   88    70   -74    78   3.62500 -1.0 2.0
   85    78    84    88   3.62500 -1.0 2.0
   71    67    70    74   1.02250 -1.0 2.0
   71    67    70    88   1.02250 -1.0 2.0
   71    75    79    80   0.37500  1.0 3.0
   71    75    79    81   0.37500  1.0 3.0
   71    75    79    82   0.37500  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.44750  1.0 1.0
   40    33    37    43  -0.17800 -1.0 2.0
   40    33    37    43   0.20200  1.0 3.0
   40    33    56    51   0.42250  1.0 1.0
   40    33    56    51  -0.48100 -1.0 2.0
   40    33    56    51   0.35650  1.0 3.0
   40    33    56    57   0.15000  1.0 3.0
   40    33    56    61  -0.84850  1.0 1.0
   40    33    56    61  -0.22800 -1.0 2.0
   40    33    56    61   0.29250  1.0 3.0
   40    44    47    48   3.62500 -1.0 2.0
   40    44    47    52   3.62500 -1.0 2.0
   40    44    66    60   3.62500 -1.0 2.0
   40    44    66    68   3.62500 -1.0 2.0
   41    40    44    47   0.00000  1.0 1.0
   41    40    44    66   0.00000  1.0 1.0
   42    40    44    47   0.00000  1.0 1.0
   42    40    44    66   0.00000  1.0 1.0
   44    47    52    53   3.62500 -1.0 2.0
   44    47   -52    60   3.62500 -1.0 2.0
   44    66    68    69   3.62500 -1.0 2.0
   44    66    68    72   3.62500 -1.0 2.0
   47    44   -66    60   3.62500 -1.0 2.0
   47    44    66    68   3.62500 -1.0 2.0
   47    52   -60    66   3.62500 -1.0 2.0
   47    52    60    83   3.62500 -1.0 2.0
   48    47    52    53   3.62500 -1.0 2.0
   48    47    52    60   5.37500 -1.0 2.0
   52    60   -66    44   3.62500 -1.0 2.0
   52    60    66    68   3.62500 -1.0 2.0
   52    60    83    76   3.62500 -1.0 2.0
   53    52    60    66   3.62500 -1.0 2.0
   53    52    60    83   3.62500 -1.0 2.0
   60    66    68    69   3.62500 -1.0 2.0
   60    66    68    72   3.62500 -1.0 2.0
   66    44    47    48   3.62500 -1.0 2.0
   66    44   -47    52   3.62500 -1.0 2.0
   66    60    83    76   3.62500 -1.0 2.0
   66    68    72    73   3.62500 -1.0 2.0
   66    68   -72    76   3.62500 -1.0 2.0
   68    72    76    77   3.62500 -1.0 2.0
   68    72    76    83   3.62500 -1.0 2.0
   69    68    72    73   3.62500 -1.0 2.0
   69    68    72    76   3.62500 -1.0 2.0
   72    76   -83    60   3.62500 -1.0 2.0
   73    72    76    77   3.62500 -1.0 2.0
   73    72    76    83   3.62500 -1.0 2.0
   77    76    83    60   3.62500 -1.0 2.0
   83    60    66    44   3.62500 -1.0 2.0
   83    60   -66    68   3.62500 -1.0 2.0
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
   49    51    54    55  10.50000 -1.0 2.0
   56    54    51    45   1.00000 -1.0 2.0
   62    56    61    63  10.50000 -1.0 2.0
   59    64    58    49   1.00000 -1.0 2.0
   58    67    64    65  10.50000 -1.0 2.0
   64    70    67    71  10.50000 -1.0 2.0
   74    88    70    67   4.00000 -1.0 2.0
   85    84    78    74   4.00000 -1.0 2.0
   87    78    85    86   1.00000 -1.0 2.0
   47    66    44    40   4.00000 -1.0 2.0
   52    48    47    44   1.10000 -1.0 2.0
   60    53    52    47   1.10000 -1.0 2.0
   66    83    60    52   4.00000 -1.0 2.0
   60    68    66    44   4.00000 -1.0 2.0
   72    69    68    66   1.10000 -1.0 2.0
   76    73    72    68   1.10000 -1.0 2.0
   83    77    76    72   1.10000 -1.0 2.0
END
