* LIGAND DATABASE FILE (OPLS2005)
*
001      87    90    160    258     475
    1     0 S   NP   _N1_     1    28.96074    99.92596   -21.40061
    2     1 S   H    _HN1     2     1.02777    89.15415   -91.67331
    3     1 S   H    _H1_     3     1.02957    62.02544    19.66216
    4     1 S   H    _H2_     4     1.02837    57.71116   156.44837
    5     1 S   CT   _CA1     5     1.50097   158.51181    93.91253
    6     5 S   HC   _HA1     6     1.09577   105.24724   112.52062
    7     5 S   CO3  _C1_     7     1.53751   112.34650    -7.69210
    8     7 S   O2Z  _O11     8     1.26349   114.99470   -45.82330
    9     7 S   O2Z  _O12     9     1.26232   114.87919   133.39271
   10     5 S   CT   _CB1    10     1.53085   107.44247  -129.61829
   11    10 S   HC   HB11    11     1.09822   109.29436   -51.52225
   12    10 S   HC   HB12    12     1.09818   110.45656    65.02123
   13    10 S   CT   _CG1    13     1.52992   112.63739  -172.65768
   14    13 S   HC   HG11    14     1.09613   110.40724   -63.81992
   15    13 S   HC   HG12    15     1.09650   110.00855    55.35839
   16    13 S   C    _CD1    16     1.51828   112.33708   175.66252
   17    16 S   O    _OE1    17     1.22738   123.30540    -3.91607
   18    16 S   N    _N2_    18     1.38481   111.59742   176.23184
   19    18 S   H    _HN2    19     1.01554   119.04021     4.66501
   20    18 S   CT1  _CA2    20     1.45932   123.15882   179.04838
   21    20 S   HC   _HA2    21     1.09719   109.06683    20.47866
   22    20 S   C    _C2_    22     1.52864   106.90353   -96.69449
   23    22 S   O    _O2_    23     1.22999   123.00084   -27.28432
   24    20 S   CT   _CB2    32     1.53289   111.84992   143.59193
   25    24 S   HC   HB21    33     1.09260   109.20055    55.15232
   26    24 S   HC   HB22    34     1.09469   110.01483   173.92088
   27    22 S   N    _N3_    24     1.38493   112.64762   155.35955
   28    27 S   H    _HN3    25     1.01665   120.34247    -1.55167
   29    24 S   S    _SG2    35     1.82932   110.27875   -65.86615
   30    27 S   CT   _CA3    26     1.45349   122.39312   178.63886
   31    30 S   HC   HA31    27     1.09571   107.63681   -59.05335
   32    30 S   HC   HA32    28     1.09568   107.74470    57.22900
   33    29 S   CT   _C20    36     1.89426   102.78249   172.40821
   34    33 S   OM   _O38    37     1.32110   108.61110    55.18300
   35    30 S   CO3  _C3_    29     1.52871   114.44542   179.09908
   36    35 S   O2Z  _O31    30     1.26319   116.11564    -1.51801
   37    35 S   O2Z  _O32    31     1.26454   114.38529   178.51906
   38    33 S   CM   _C21    38     1.55099   106.44705   168.19632
   39    33 S   CT   _C19    70     1.62192   108.76586   -67.61088
   40    39 S   HC   _H4_    71     1.09861   108.86721    14.83665
   41    38 S   CMA  _C23    39     1.36183   127.15196   125.42436
   42    41 S   OM   _O37    40     1.26688   130.65448   177.58200
   43    39 S   NT   _N5_    72     1.51611   115.75002   131.54282
   44    38 S   C    _C22    83     1.51073   118.61160   -55.67151
   45    44 S   O    _O36    84     1.22698   122.54648    87.83662
   46    41 S   CT   _C16    41     1.53316   117.03948    -1.31194
   47    43 S   CT   _C24    73     1.47676   111.42005   -77.95759
   48    47 S   HC   _H16    74     1.09681   110.19455   175.27959
   49    47 S   HC   _H17    75     1.09092   113.61842    57.44780
   50    47 S   HC   _H18    76     1.09669   111.69862   -64.75345
   51    43 S   CT   _C25    77     1.46900   114.98023   161.22848
   52    51 S   HC   _H19    78     1.09723   110.64086   175.48794
   53    51 S   HC   _H20    79     1.09619   112.03233    55.24348
   54    51 S   HC   _H21    80     1.09238   112.43174   -68.11907
   55    44 S   N    _N4_    85     1.37510   113.17631   -93.40062
   56    55 S   H    _H14    86     1.01422   121.34816     1.58424
   57    55 S   H    _H15    87     1.01214   120.77404  -179.30903
   58    46 S   CO4  _C15    42     1.54560   115.83710  -153.23726
   59    58 S   O    _O35    43     1.23166   121.55767   -97.29805
   60    46 S   OH   _O39    81     1.43492   107.11655    91.00005
   61    60 S   HO   _H22    82     0.97345   106.61876    50.99947
   62    58 S   CA   _C7_    44     1.49866   119.06086    82.76997
   63    62 S   CA   _C6_    45     1.39562   119.77059    14.07037
   64    63 S   CA   _C5_    46     1.42728   119.37998  -178.93137
   65    63 S   CT   _C18    65     1.51667   120.22060    -1.33119
   66    65 S   HC   _H12    66     1.09728   109.14839   140.48567
   67    65 S   HC   _H13    67     1.09218   106.43340  -102.88392
   68    64 S   CA   _C10    47     1.45310   121.73563    -7.71538
   69    64 S   CT   _C4_    61     1.51824   117.44651   170.91451
   70    69 S   HC   _H5_    62     1.09368   110.62536  -136.81862
   71    69 S   HC   _H6_    63     1.09341   113.12166   -21.76694
   72    69 S   HC   _H7_    64     1.09326   110.45789    99.10127
   73    46 S   CT   _C17    68     1.53327   113.10337   -30.09559
   74    73 S   HC   _H3_    69     1.09683   108.69890   179.46332
   75    68 S   CA   _C9_    48     1.42969   117.16450     9.51544
   76    75 S   CA   _C14    49     1.42992   118.75096   175.13313
   77    62 S   CA   _C8_    58     1.40560   120.88520  -166.23616
   78    76 S   CA   _C13    50     1.39025   123.01179     1.91223
   79    78 S   HA   _H9_    51     1.08584   121.47018   179.81762
   80    76 S   OH   _O33    56     1.37617   120.47257  -178.25236
   81    80 S   HO   _H10    57     0.97150   109.67783   179.81869
   82    77 S   OH   _O34    59     1.37888   119.79339     2.89976
   83    82 S   HO   _H11    60     0.97247   109.98635     0.21670
   84    78 S   CA   _C12    52     1.37613   118.98908     1.56598
   85    84 S   HA   _H8_    53     1.08781   118.80125   177.22667
   86    68 S   CA   _C11    54     1.44469   126.84221  -170.47922
   87    86 S   Cl   Cl1_    55     1.73940   124.37011     9.59653
  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   9   5   4   3
  16   7   2   1   1  14  21   7  13   5  12   5   3  12   8   3
   2   1   4   2   1   1   2   1   1  12   5   5   1  13  15  15
   7   3   2  14   5   2   1   1   1   1  11   9   5   7   4   2
   1   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    73    39    40    43    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    46    65    73    74    39    40    43    47    51    44    45    55  
   38    41    73    39    40    43    44  
   36    37  
   37  
    0  
   41    42    46    58    73    39    40    43    60    44    45    55    56    57  
   40    43    47    48    49    50    51    52    53    54    60    44    41    46    58    63    65    66    67    73    74  
   43    47    51    46    65    73    74  
   42    46    58    59    62    65    73    74    60    61    44    45    55  
   46    58    73    60    44  
   47    48    49    50    51    52    53    54    46    65    73    74  
   45    55    56    57    46  
   55    56    57  
   58    59    62    63    77    65    66    67    73    74    60    61  
   48    49    50    51    52    53    54    73  
   49    50    51  
   50    51  
   51  
   52    53    54    73  
   53    54  
   54  
    0  
   56    57  
   57  
    0  
   59    62    63    64    75    77    82    65    73    74    60    61  
   62    63    77    73    60  
   61    62    65    73    74  
   73  
   63    64    68    75    76    77    82    83    69    65    66    67    73  
   64    68    75    86    77    82    69    70    71    72    65    66    67    73    74  
   68    75    76    84    86    87    77    69    70    71    72    65    66    67    73  
   66    67    73    74    68    69    77  
   67    73    74  
   73    74  
   75    76    78    84    85    86    87    80    77    82    69    70    71    72  
   70    71    72    75    86  
   71    72  
   72  
    0  
   74  
    0  
   76    78    79    84    86    87    80    81    77    82    83  
   78    79    84    85    86    80    81    77    82  
   82    83    78    80    86  
   79    84    85    86    87    80    81  
   84    85    86    80  
   81    84  
    0  
   83  
    0  
   85    86    87  
   86    87  
   87  
    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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   44   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   46   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   56   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   57   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   58   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   86   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   87   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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   570.000  1.307
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   465.000  1.376
   38    44   410.000  1.444
   41    42   745.000  1.250
   41    46   270.000  1.512
   46    58   317.000  1.522
   46    73   268.000  1.529
   46    60   320.000  1.410
   58    59   570.000  1.229
   58    62   310.000  1.470
   62    63   469.000  1.400
   62    77   469.000  1.400
   63    64   469.000  1.400
   63    65   317.000  1.510
   64    68   469.000  1.400
   64    69   317.000  1.510
   68    75   469.000  1.400
   68    86   469.000  1.400
   75    76   469.000  1.400
   75    77   469.000  1.400
   76    78   469.000  1.400
   76    80   450.000  1.364
   78    79   367.000  1.080
   78    84   469.000  1.400
   84    85   367.000  1.080
   84    86   469.000  1.400
   86    87   300.000  1.725
   80    81   553.000  0.945
   77    82   450.000  1.364
   82    83   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    73   268.000  1.529
   73    74   340.000  1.090
   73    39   268.000  1.529
   39    40   340.000  1.090
   39    43   382.000  1.448
   43    47   382.000  1.448
   43    51   382.000  1.448
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   60    61   553.000  0.945
   44    45   570.000  1.229
   44    55   490.000  1.335
   55    56   434.000  1.010
   55    57   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    44    70.00000  119.70000
   33    39    73    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    56.20000  109.47000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    46    65.00000  122.18000
   38    44    45    80.00000  125.30000
   38    44    55    80.00000  111.56200
   41    46    58    70.00000  109.06800
   41    46    73    70.00000  112.02700
   41    46    60    90.00000  110.39200
   46    41    42    85.00000  112.85300
   46    58    59    80.00000  120.40000
   46    58    62    65.00000  115.47100
   46    73    65    58.35000  112.70000
   46    73    74    37.50000  110.70000
   46    73    39    58.35000  112.70000
   46    60    61    55.00000  108.50000
   58    62    63    60.00000  119.52600
   58    62    77    60.00000  119.52600
   62    58    59    75.00000  123.78400
   62    63    64    63.00000  120.00000
   62    63    65    70.00000  120.00000
   62    77    75    63.00000  120.00000
   62    77    82    70.00000  120.00000
   63    64    68    63.00000  120.00000
   63    64    69    70.00000  120.00000
   63    65    66    35.00000  109.50000
   63    65    67    35.00000  109.50000
   63    65    73    70.00000  112.17500
   64    68    75    63.00000  120.00000
   64    68    86    63.00000  120.00000
   64    69    70    35.00000  109.50000
   64    69    71    35.00000  109.50000
   64    69    72    35.00000  109.50000
   68    75    76    63.00000  120.00000
   68    75    77    63.00000  120.00000
   68    86    84    63.00000  120.00000
   68    86    87    75.00000  120.00000
   75    76    78    63.00000  120.00000
   75    76    80    70.00000  120.00000
   75    77    82    70.00000  120.00000
   76    78    79    35.00000  120.00000
   76    78    84    63.00000  120.00000
   76    80    81    35.00000  113.00000
   78    84    85    35.00000  120.00000
   78    84    86    63.00000  120.00000
   84    78    79    35.00000  120.00000
   84    86    87    75.00000  120.00000
   86    68    75    63.00000  120.00000
   86    84    85    35.00000  120.00000
   80    76    78    70.00000  120.00000
   77    62    63    63.00000  120.00000
   77    75    76    63.00000  120.00000
   77    82    83    35.00000  113.00000
   69    64    68    70.00000  120.00000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   65    63    64    70.00000  120.00000
   65    73    74    37.50000  110.70000
   65    73    39    58.35000  112.70000
   67    65    66    33.00000  107.80000
   73    46    58    63.00000  111.10000
   73    65    66    37.50000  110.70000
   73    65    67    37.50000  110.70000
   73    39    40    37.50000  110.70000
   73    39    43    56.20000  109.47000
   39    33    34    50.00000  109.50000
   39    33    38    70.00000  112.02700
   39    73    74    37.50000  110.70000
   39    43    47    51.80000  107.20000
   39    43    51    51.80000  107.20000
   43    39    40    35.00000  109.50000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    50    35.00000  109.50000
   43    51    52    35.00000  109.50000
   43    51    53    35.00000  109.50000
   43    51    54    35.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   51    43    47    51.80000  107.20000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   60    46    58    90.00000  109.61100
   60    46    73    50.00000  109.50000
   44    38    41    60.00000  120.04000
   44    55    56    35.00000  119.80000
   44    55    57    35.00000  119.80000
   55    44    45    80.00000  122.90000
   57    55    56    35.00000  120.00000
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   0.01700  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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    44   0.09700  1.0 1.0
   29    33    38    44   0.15600 -1.0 2.0
   29    33    38    44  -0.50800  1.0 3.0
   29    33    39    73   0.44750  1.0 1.0
   29    33    39    73  -0.17800 -1.0 2.0
   29    33    39    73   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    46   7.00000 -1.0 2.0
   33    38    44    45  -0.64400  1.0 1.0
   33    38    44    45   0.26850 -1.0 2.0
   33    38    44    55   1.59650  1.0 1.0
   33    38    44    55   0.42750 -1.0 2.0
   33    38    44    55  -0.48350  1.0 3.0
   33    39    43    47   0.23450  1.0 1.0
   33    39    43    47   0.02050 -1.0 2.0
   33    39    43    47   0.25250  1.0 3.0
   33    39    43    51   0.23450  1.0 1.0
   33    39    43    51   0.02050 -1.0 2.0
   33    39    43    51   0.25250  1.0 3.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    38    44   0.09700  1.0 1.0
   34    33    38    44   0.15600 -1.0 2.0
   34    33    38    44  -0.50800  1.0 3.0
   34    33    39    73   0.62750  1.0 1.0
   34    33    39    73  -0.30950 -1.0 2.0
   34    33    39    73   0.27300  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    43   1.74050  1.0 1.0
   38    33    39    73   0.34400  1.0 1.0
   38    33    39    73   0.09450 -1.0 2.0
   38    33    39    73   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43   0.59950  1.0 1.0
   38    33    39    43  -0.21400 -1.0 2.0
   38    33    39    43   0.56200  1.0 3.0
   38    41    46    58  -0.51250  1.0 1.0
   38    41    46    58  -0.88800 -1.0 2.0
   38    41    46    58   0.08850  1.0 3.0
   38    41   -46    73   0.09850  1.0 1.0
   38    41   -46    73   0.15250 -1.0 2.0
   38    41   -46    73  -0.50650  1.0 3.0
   38    41    46    60   0.67800  1.0 1.0
   38    41    46    60   0.47050 -1.0 2.0
   38    41    46    60  -0.62500  1.0 3.0
   38    44    55    56   2.56700 -1.0 2.0
   38    44    55    57   2.56700 -1.0 2.0
   41    38    44    45   1.00000 -1.0 2.0
   41    38    44    55   0.49500  1.0 1.0
   41    38    44    55   1.31600 -1.0 2.0
   41    38    44    55  -0.02300  1.0 3.0
   41    46    58    59   0.30150 -1.0 2.0
   41    46    58    62   0.65300  1.0 1.0
   41    46    58    62  -0.03850 -1.0 2.0
   41    46    58    62   0.33900  1.0 3.0
   41    46    73    65   0.34400  1.0 1.0
   41    46    73    65   0.09450 -1.0 2.0
   41    46    73    65   0.11100  1.0 3.0
   41    46    73    74   0.15000  1.0 3.0
   41    46    73    39   0.34400  1.0 1.0
   41    46    73    39   0.09450 -1.0 2.0
   41    46    73    39   0.11100  1.0 3.0
   41    46    60    61  -0.07800  1.0 1.0
   41    46    60    61  -0.21500 -1.0 2.0
   41    46    60    61  -0.03150  1.0 3.0
   42    41    46    58   0.09700  1.0 1.0
   42    41    46    58   0.15600 -1.0 2.0
   42    41    46    58  -0.50800  1.0 3.0
   42    41    46    73   0.09700  1.0 1.0
   42    41    46    73   0.15600 -1.0 2.0
   42    41    46    73  -0.50800  1.0 3.0
   42    41    46    60   0.09700  1.0 1.0
   42    41    46    60   0.15600 -1.0 2.0
   42    41    46    60  -0.50800  1.0 3.0
   46    58    62    63   2.26350  1.0 1.0
   46    58    62    63   0.76750 -1.0 2.0
   46    58    62    63   0.22500  1.0 3.0
   46    58    62    77   2.26350  1.0 1.0
   46    58    62    77   0.76750 -1.0 2.0
   46    58    62    77   0.22500  1.0 3.0
   46    73   -39    33   0.56750  1.0 1.0
   46    73   -39    33  -0.07550 -1.0 2.0
   46    73   -39    33   0.20000  1.0 3.0
   46    73    39    40   0.15000  1.0 3.0
   46    73    39    43   1.85550  1.0 1.0
   46    73    39    43  -0.84100 -1.0 2.0
   58    46    73    65  -0.95700  1.0 1.0
   58    46    73    65  -0.18200 -1.0 2.0
   58    46    73    65   0.29450  1.0 3.0
   58    46    73    74  -0.11250  1.0 3.0
   58    46    73    39  -0.95700  1.0 1.0
   58    46    73    39  -0.18200 -1.0 2.0
   58    46    73    39   0.29450  1.0 3.0
   58    46    60    61   0.91850  1.0 1.0
   58    46    60    61   0.57950  1.0 3.0
   58    62    63    64   3.62500 -1.0 2.0
   58    62   -63    65   3.62500 -1.0 2.0
   58    62    77    75   3.62500 -1.0 2.0
   58    62    77    82   3.62500 -1.0 2.0
   59    58    62    63   1.05000 -1.0 2.0
   59    58    62    77   1.05000 -1.0 2.0
   62    63    64    68   3.62500 -1.0 2.0
   62    63    64    69   3.62500 -1.0 2.0
   62    63    65    66   0.00000  1.0 1.0
   62    63    65    67   0.00000  1.0 1.0
   62    63    65    73   0.04150 -1.0 2.0
   62    77    82    83   0.84100 -1.0 2.0
   63    62    77    75   3.62500 -1.0 2.0
   63    62    77    82   3.62500 -1.0 2.0
   63    64   -68    75   3.62500 -1.0 2.0
   63    64    68    86   3.62500 -1.0 2.0
   63    64    69    70   0.00000  1.0 1.0
   63    64    69    71   0.00000  1.0 1.0
   63    64    69    72   0.00000  1.0 1.0
   63    65   -73    46  -0.03700  1.0 1.0
   63    65   -73    46   0.37200 -1.0 2.0
   63    65   -73    46  -0.47300  1.0 3.0
   63    65    73    74   0.43200  1.0 3.0
   63    65    73    39  -0.03700  1.0 1.0
   63    65    73    39   0.37200 -1.0 2.0
   63    65    73    39  -0.47300  1.0 3.0
   64    63    65    66   0.00000  1.0 1.0
   64    63    65    67   0.00000  1.0 1.0
   64    63    65    73   0.04150 -1.0 2.0
   64    68    75    76   3.62500 -1.0 2.0
   64    68    75    77   3.62500 -1.0 2.0
   64    68    86    84   3.62500 -1.0 2.0
   64    68    86    87   3.62500 -1.0 2.0
   68    64    69    70   0.00000  1.0 1.0
   68    64    69    71   0.00000  1.0 1.0
   68    64    69    72   0.00000  1.0 1.0
   68    75    76    78   3.62500 -1.0 2.0
   68    75    76    80   3.62500 -1.0 2.0
   68    75   -77    62   3.62500 -1.0 2.0
   68    75    77    82   3.62500 -1.0 2.0
   75    68    86    84   3.62500 -1.0 2.0
   75    68    86    87   3.62500 -1.0 2.0
   75    76    78    79   3.62500 -1.0 2.0
   75    76   -78    84   3.62500 -1.0 2.0
   75    76    80    81   0.84100 -1.0 2.0
   75    77    82    83   0.84100 -1.0 2.0
   76    75    77    62   3.62500 -1.0 2.0
   76    75    77    82   3.62500 -1.0 2.0
   76    78    84    85   3.62500 -1.0 2.0
   76    78    84    86   3.62500 -1.0 2.0
   78    76    80    81   0.84100 -1.0 2.0
   78    84   -86    68   3.62500 -1.0 2.0
   78    84    86    87   3.62500 -1.0 2.0
   79    78    84    85   3.62500 -1.0 2.0
   79    78    84    86   3.62500 -1.0 2.0
   85    84    86    68   3.62500 -1.0 2.0
   85    84    86    87   3.62500 -1.0 2.0
   86    68   -75    76   3.62500 -1.0 2.0
   86    68    75    77   3.62500 -1.0 2.0
   80    76    78    79   3.62500 -1.0 2.0
   80    76    78    84   3.62500 -1.0 2.0
   77    62   -63    64   3.62500 -1.0 2.0
   77    62    63    65   3.62500 -1.0 2.0
   77    75    76    78   3.62500 -1.0 2.0
   77    75    76    80   3.62500 -1.0 2.0
   69    64    68    75   3.62500 -1.0 2.0
   69    64    68    86   3.62500 -1.0 2.0
   65    63    64    68   3.62500 -1.0 2.0
   65    63    64    69   3.62500 -1.0 2.0
   65    73    39    33   0.56750  1.0 1.0
   65    73    39    33  -0.07550 -1.0 2.0
   65    73    39    33   0.20000  1.0 3.0
   65    73    39    40   0.15000  1.0 3.0
   65    73    39    43   1.85550  1.0 1.0
   65    73    39    43  -0.84100 -1.0 2.0
   66    65    73    46   0.15000  1.0 3.0
   66    65    73    74   0.15000  1.0 3.0
   66    65    73    39   0.15000  1.0 3.0
   67    65    73    46   0.15000  1.0 3.0
   67    65    73    74   0.15000  1.0 3.0
   67    65    73    39   0.15000  1.0 3.0
   73    46    58    59   0.30150 -1.0 2.0
   73    46   -58    62   0.05850 -1.0 2.0
   73    46   -58    62   0.17250  1.0 3.0
   73    46    60    61  -0.11600  1.0 1.0
   73    46    60    61  -0.09450 -1.0 2.0
   73    46    60    61   0.21250  1.0 3.0
   73    39    43    47   0.23450  1.0 1.0
   73    39    43    47   0.02050 -1.0 2.0
   73    39    43    47   0.25250  1.0 3.0
   73    39    43    51   0.23450  1.0 1.0
   73    39    43    51   0.02050 -1.0 2.0
   73    39    43    51   0.25250  1.0 3.0
   74    73    39    33   0.15000  1.0 3.0
   74    73    39    40   0.15000  1.0 3.0
   74    73    39    43   0.15000  1.0 3.0
   39    33   -38    41   0.09850  1.0 1.0
   39    33   -38    41   0.15250 -1.0 2.0
   39    33   -38    41  -0.50650  1.0 3.0
   39    33    38    44   0.09700  1.0 1.0
   39    33    38    44   0.15600 -1.0 2.0
   39    33    38    44  -0.50800  1.0 3.0
   39    43    47    48   0.28000  1.0 3.0
   39    43    47    49   0.28000  1.0 3.0
   39    43    47    50   0.28000  1.0 3.0
   39    43    51    52   0.28000  1.0 3.0
   39    43    51    53   0.28000  1.0 3.0
   39    43    51    54   0.28000  1.0 3.0
   40    39    43    47   0.28000  1.0 3.0
   40    39    43    51   0.28000  1.0 3.0
   47    43    51    52   0.28000  1.0 3.0
   47    43    51    53   0.28000  1.0 3.0
   47    43    51    54   0.28000  1.0 3.0
   51    43    47    48   0.28000  1.0 3.0
   51    43    47    49   0.28000  1.0 3.0
   51    43    47    50   0.28000  1.0 3.0
   60    46    58    59   0.30150 -1.0 2.0
   60    46    58    62   0.65300  1.0 1.0
   60    46    58    62  -0.03850 -1.0 2.0
   60    46    58    62   0.33900  1.0 3.0
   60    46    73    65   0.86500  1.0 1.0
   60    46    73    65  -0.17500 -1.0 2.0
   60    46    73    65   0.20800  1.0 3.0
   60    46    73    74   0.23400  1.0 3.0
   60    46    73    39   0.86500  1.0 1.0
   60    46    73    39  -0.17500 -1.0 2.0
   60    46    73    39   0.20800  1.0 3.0
   44    38    41    42   7.00000 -1.0 2.0
   44    38    41    46   7.00000 -1.0 2.0
   45    44    55    56   2.45000 -1.0 2.0
   45    44    55    57   2.45000 -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
   36    30    35    37  10.50000 -1.0 2.0
   33    44    38    41   1.10000 -1.0 2.0
   46    42    41    38   1.10000 -1.0 2.0
   46    62    58    59  10.50000 -1.0 2.0
   63    77    62    58   4.00000 -1.0 2.0
   64    65    63    62   4.00000 -1.0 2.0
   68    69    64    63   4.00000 -1.0 2.0
   75    86    68    64   4.00000 -1.0 2.0
   76    77    75    68   4.00000 -1.0 2.0
   78    80    76    75   4.00000 -1.0 2.0
   84    79    78    76   1.10000 -1.0 2.0
   86    85    84    78   1.10000 -1.0 2.0
   84    87    86    68   4.00000 -1.0 2.0
   75    82    77    62   4.00000 -1.0 2.0
   38    55    44    45  10.50000 -1.0 2.0
   57    44    55    56   1.00000 -1.0 2.0
END
