* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    150    232     439
    1     0 S   NP   _N1_     1    28.74589    94.79562   -23.67247
    2     1 S   H    _HN1     2     1.02951    81.84221    18.63661
    3     1 S   H    _H1_     3     1.02830    28.09911   172.64811
    4     1 S   H    _H2_     4     1.02783   105.45770   -88.23265
    5     1 S   CT   _CA1     5     1.50107   133.12299   129.02547
    6     5 S   HC   _HA1     6     1.09574   105.22385    79.58444
    7     5 S   CO3  _C1_     7     1.53798   112.39087   -40.67508
    8     7 S   O2Z  _O11     8     1.26370   115.01203   -44.28208
    9     7 S   O2Z  _O12     9     1.26239   114.94014   134.87440
   10     5 S   CT   _CB1    10     1.53087   107.42405  -162.45813
   11    10 S   HC   HB11    11     1.09829   109.40195   -50.11971
   12    10 S   HC   HB12    12     1.09815   110.43406    66.48255
   13    10 S   CT   _CG1    13     1.52984   112.58949  -171.12728
   14    13 S   HC   HG11    14     1.09590   110.56044   -64.20556
   15    13 S   HC   HG12    15     1.09665   109.86446    55.01719
   16    13 S   C    _CD1    16     1.51799   112.28889   175.45554
   17    16 S   O    _OE1    17     1.22726   123.31016     3.25016
   18    16 S   N    _N2_    18     1.38649   111.62582  -176.85589
   19    18 S   H    _HN2    19     1.01588   118.94545     1.77872
   20    18 S   CT1  _CA2    20     1.46176   123.37167   178.35753
   21    20 S   HC   _HA2    21     1.09738   109.38469    -1.86152
   22    20 S   C    _C2_    22     1.53478   108.53773  -117.35397
   23    22 S   O    _O2_    23     1.23050   122.29789  -147.85500
   24    20 S   CT   _CB2    32     1.53361   111.60012   120.16246
   25    24 S   HC   HB21    33     1.09493   109.93209    56.19235
   26    24 S   HC   HB22    34     1.09512   110.06667   175.27536
   27    22 S   N    _N3_    24     1.38335   113.61595    39.58822
   28    27 S   H    _HN3    25     1.01613   119.54758    -3.47305
   29    24 S   S    _SG2    35     1.82770   111.49209   -64.91758
   30    27 S   CT   _CA3    26     1.45289   123.16457   177.03661
   31    30 S   HC   HA31    27     1.09551   107.51910   -64.13556
   32    30 S   HC   HA32    28     1.09558   107.96305    52.28351
   33    29 S   CT   _C12    36     1.84744    99.97703  -174.42002
   34    33 S   HC   _H5_    37     1.09632   106.11706    42.30766
   35    30 S   CO3  _C3_    29     1.52947   114.11519   174.27306
   36    35 S   O2Z  _O31    30     1.26372   116.06255    -0.73648
   37    35 S   O2Z  _O32    31     1.26430   114.41182   179.32391
   38    33 S   CT   _C11    38     1.53671   109.27500   -72.89102
   39    38 S   HC   _H15    39     1.09573   110.19185    72.24245
   40    38 S   HC   _H16    40     1.09562   111.85433   -48.04384
   41    38 S   CO4  _C10    41     1.51099   112.15923  -168.82287
   42    41 S   O    _O33    42     1.23049   121.15501   172.75950
   43    41 S   CT   _C9_    43     1.50602   117.57021    -9.23444
   44    43 S   HC   _H13    44     1.09538   109.17327   176.90054
   45    43 S   HC   _H14    45     1.09595   107.66554   -67.16478
   46    43 S   CT   _C8_    46     1.52435   110.88794    53.93460
   47    46 S   HC   _H4_    47     1.09654   108.68757  -170.66060
   48    33 S   CT   _C7_    48     1.57475   111.72214   160.67237
   49    48 S   CA   _C13    49     1.55302   109.34113   -66.41688
   50    48 S   CT   _C6_    68     1.55625   111.02271    61.30357
   51    50 S   HC   _H11    69     1.09613   111.26534    34.71282
   52    50 S   HC   _H12    70     1.09230   115.16467   -85.26972
   53    49 S   CA   _C14    50     1.40079   123.36590   118.13059
   54    53 S   HA   _H17    51     1.08483   122.00162     0.43656
   55    50 S   CT   _C5_    71     1.51066   104.98608   150.65201
   56    55 S   HC   _H9_    72     1.09450   113.02676    72.77511
   57    55 S   HC   _H10    73     1.09344   113.52710  -159.82721
   58    53 S   CA   _C15    52     1.40023   121.42962  -179.50228
   59    58 S   HA   _H18    53     1.08600   117.45523  -179.97202
   60    46 S   NP   _N4_    74     1.53163   109.78842    74.93672
   61    60 S   H    _H3_    75     1.03008   108.43562   -28.33371
   62    58 S   CA   _C16    54     1.39535   120.74103     0.11869
   63    60 S   CT   _C4_    76     1.49807   114.63179    90.96946
   64    63 S   HC   _H6_    77     1.09324   108.84815    60.99616
   65    63 S   HC   _H7_    78     1.09298   107.82751  -178.65085
   66    63 S   HC   _H8_    79     1.09246   108.08726   -59.61371
   67    62 S   CA   _C17    55     1.40307   119.17334     0.02798
   68    62 S   OS   _O35    63     1.37248   124.73310  -180.00000
   69    49 S   CA   _C18    56     1.41295   119.54338   -61.23462
   70    69 S   HA   _H19    57     1.08630   118.29294    -0.91279
   71    67 S   OS   _O34    58     1.37346   115.85585  -179.96574
   72    68 S   CT   _C20    64     1.42230   117.32086    -0.53741
   73    72 S   HC   _H23    65     1.09430   107.73993  -179.71607
   74    72 S   HC   _H24    66     1.09494   111.13132    62.57558
   75    72 S   HC   _H25    67     1.09497   111.15208   -61.99106
   76    71 S   CT   _C19    59     1.42201   117.54175  -177.63984
   77    76 S   HC   _H20    60     1.09428   107.74112   178.44858
   78    76 S   HC   _H21    61     1.09503   111.19792    60.70744
   79    76 S   HC   _H22    62     1.09490   111.08495   -63.88610
  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
  18   8   2   1   1  11   5   4   8   4  11   5   4  17   7  16
  14  10   5   4   8   4   8   4   3   7   3   5   4  10   3   2
   1   1   9   6   3   1   4   3   2   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    46    48    49    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    46    47    48    49    53    69    50    51    52    55    60  
   38    39    40    41    46    48    49    50  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    48    49    50  
   40    41    42    43    48  
   41    42    43    48  
   42    43    44    45    46    47    48    60  
   43    44    45    46  
   44    45    46    47    48    49    50    55    60    61    63  
   45    46    47    48    60  
   46    47    48    60  
   47    48    49    53    69    50    51    52    55    56    57    60    61    63    64    65    66  
   48    49    50    55    60    61    63  
   49    53    54    58    67    69    70    50    51    52    55    56    57    60    61    63  
   53    54    58    59    62    67    69    70    71    50    51    52    55    60  
   51    52    55    56    57    60    61    63    53    69  
   52    55    56    57    60  
   55    56    57    60  
   54    58    59    62    67    69    70    68  
   58    59    62    69  
   56    57    60    61    63    64    65    66  
   57    60    61    63  
   60    61    63  
   59    62    67    69    71    68    72  
   62    67    68  
   61    63    64    65    66  
   63    64    65    66  
   67    69    70    71    76    68    72    73    74    75  
   64    65    66  
   65    66  
   66  
    0  
   69    70    71    76    77    78    79    68    72  
   72    73    74    75    69    71  
   70    71    76  
   71  
   76    77    78    79  
   73    74    75  
   74    75  
   75  
    0  
   77    78    79  
   78    79  
   79  
    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   1.6450   1.4500   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   48   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   61   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   68   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    48   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    60   367.000  1.471
   48    49   317.000  1.510
   48    50   268.000  1.529
   49    53   469.000  1.400
   49    69   469.000  1.400
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    59   367.000  1.080
   58    62   469.000  1.400
   62    67   469.000  1.400
   62    68   450.000  1.364
   67    69   469.000  1.400
   67    71   450.000  1.364
   69    70   367.000  1.080
   71    76   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   68    72   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   367.000  1.471
   60    61   434.000  1.010
   60    63   367.000  1.471
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
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    48    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    48    46    58.35000  112.70000
   33    48    49    70.00000  112.17500
   33    48    50    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    35.00000  109.50000
   41    43    45    35.00000  109.50000
   41    43    46    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    46    47    37.50000  110.70000
   43    46    48    58.35000  112.70000
   43    46    60    80.00000  111.20000
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    48    49    70.00000  112.17500
   46    48    50    58.35000  112.70000
   46    60    55    75.00000  113.01200
   46    60    61    35.00000  109.50000
   46    60    63    75.00000  113.01200
   48    33    34    37.50000  110.70000
   48    33    38    58.35000  112.70000
   48    46    47    37.50000  110.70000
   48    49    53    70.00000  120.00000
   48    49    69    70.00000  120.00000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    55    58.35000  112.70000
   49    53    54    35.00000  120.00000
   49    53    58    63.00000  120.00000
   49    69    67    63.00000  120.00000
   49    69    70    35.00000  120.00000
   53    58    59    35.00000  120.00000
   53    58    62    63.00000  120.00000
   58    53    54    35.00000  120.00000
   58    62    67    63.00000  120.00000
   58    62    68    70.00000  120.00000
   62    58    59    35.00000  120.00000
   62    67    69    63.00000  120.00000
   62    67    71    70.00000  120.00000
   62    68    72    75.00000  111.00000
   67    69    70    35.00000  120.00000
   67    71    76    75.00000  111.00000
   69    49    53    63.00000  120.00000
   71    67    69    70.00000  120.00000
   71    76    77    35.00000  109.50000
   71    76    78    35.00000  109.50000
   71    76    79    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   68    62    67    70.00000  120.00000
   68    72    73    35.00000  109.50000
   68    72    74    35.00000  109.50000
   68    72    75    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   50    48    49    70.00000  112.17500
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    60    80.00000  111.20000
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    60    61    35.00000  109.50000
   55    60    63    75.00000  113.01200
   57    55    56    33.00000  107.80000
   60    46    47    35.00000  109.50000
   60    46    48    80.00000  111.20000
   60    55    56    35.00000  109.50000
   60    55    57    35.00000  109.50000
   60    63    64    35.00000  109.50000
   60    63    65    35.00000  109.50000
   60    63    66    35.00000  109.50000
   63    60    61    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    48    46   0.44750  1.0 1.0
   29    33    48    46  -0.17800 -1.0 2.0
   29    33    48    46   0.20200  1.0 3.0
   29    33    48    49   0.56750  1.0 1.0
   29    33    48    49  -0.07550 -1.0 2.0
   29    33    48    49   0.20000  1.0 3.0
   29    33    48    50   0.44750  1.0 1.0
   29    33    48    50  -0.17800 -1.0 2.0
   29    33    48    50   0.20200  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.60050  1.0 1.0
   33    38    41    43   0.05600 -1.0 2.0
   33    38    41    43   0.26150  1.0 3.0
   33    48    49    53   0.04150 -1.0 2.0
   33    48    49    69   0.04150 -1.0 2.0
   33    48    50    51   0.15000  1.0 3.0
   33    48    50    52   0.15000  1.0 3.0
   33    48    50    55   0.56750  1.0 1.0
   33    48    50    55  -0.07550 -1.0 2.0
   33    48    50    55   0.20000  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    41  -0.11250  1.0 3.0
   34    33    48    46   0.15000  1.0 3.0
   34    33    48    49   0.43200  1.0 3.0
   34    33    48    50   0.15000  1.0 3.0
   38    33    48    46   0.56750  1.0 1.0
   38    33    48    46  -0.07550 -1.0 2.0
   38    33    48    46   0.20000  1.0 3.0
   38    33    48    49  -0.03700  1.0 1.0
   38    33    48    49   0.37200 -1.0 2.0
   38    33    48    49  -0.47300  1.0 3.0
   38    33    48    50   0.56750  1.0 1.0
   38    33    48    50  -0.07550 -1.0 2.0
   38    33    48    50   0.20000  1.0 3.0
   38    41    43    44   0.00000  1.0 1.0
   38    41    43    45   0.00000  1.0 1.0
   38    41   -43    46   0.60050  1.0 1.0
   38    41   -43    46   0.05600 -1.0 2.0
   38    41   -43    46   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    46    47  -0.11250  1.0 3.0
   41    43    46    48  -0.95700  1.0 1.0
   41    43    46    48  -0.18200 -1.0 2.0
   41    43    46    48   0.29450  1.0 3.0
   41    43    46    60  -1.46550  1.0 1.0
   41    43    46    60  -0.30600 -1.0 2.0
   41    43    46    60  -0.05950  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    46   0.30150 -1.0 2.0
   43    46   -48    33   0.56750  1.0 1.0
   43    46   -48    33  -0.07550 -1.0 2.0
   43    46   -48    33   0.20000  1.0 3.0
   43    46    48    49  -0.03700  1.0 1.0
   43    46    48    49   0.37200 -1.0 2.0
   43    46    48    49  -0.47300  1.0 3.0
   43    46    48    50   0.56750  1.0 1.0
   43    46    48    50  -0.07550 -1.0 2.0
   43    46    48    50   0.20000  1.0 3.0
   43    46    60    55   0.47100  1.0 1.0
   43    46    60    61   0.17350  1.0 3.0
   43    46    60    63   0.47100  1.0 1.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    60   0.19200  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    48   0.15000  1.0 3.0
   45    43    46    60   0.19200  1.0 3.0
   46    48    49    53   0.04150 -1.0 2.0
   46    48    49    69   0.04150 -1.0 2.0
   46    48    50    51   0.15000  1.0 3.0
   46    48    50    52   0.15000  1.0 3.0
   46    48   -50    55   0.56750  1.0 1.0
   46    48   -50    55  -0.07550 -1.0 2.0
   46    48   -50    55   0.20000  1.0 3.0
   46    60    63    64   0.15000  1.0 3.0
   46    60    63    65   0.15000  1.0 3.0
   46    60    63    66   0.15000  1.0 3.0
   47    46    48    33   0.15000  1.0 3.0
   47    46    48    49   0.43200  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    60    55   0.15000  1.0 3.0
   47    46    60    61   0.13050  1.0 3.0
   47    46    60    63   0.15000  1.0 3.0
   48    33    38    39   0.15000  1.0 3.0
   48    33    38    40   0.15000  1.0 3.0
   48    33   -38    41  -0.95700  1.0 1.0
   48    33   -38    41  -0.18200 -1.0 2.0
   48    33   -38    41   0.29450  1.0 3.0
   48    46   -60    55   0.47100  1.0 1.0
   48    46    60    61   0.17350  1.0 3.0
   48    46    60    63   0.47100  1.0 1.0
   48    49    53    54   3.62500 -1.0 2.0
   48    49    53    58   3.62500 -1.0 2.0
   48    49    69    67   3.62500 -1.0 2.0
   48    49    69    70   3.62500 -1.0 2.0
   48    50    55    56   0.15000  1.0 3.0
   48    50    55    57   0.15000  1.0 3.0
   48    50   -55    60   1.36600  1.0 1.0
   48    50   -55    60  -0.11450 -1.0 2.0
   48    50   -55    60   0.24250  1.0 3.0
   49    48    50    51   0.43200  1.0 3.0
   49    48    50    52   0.43200  1.0 3.0
   49    48    50    55  -0.03700  1.0 1.0
   49    48    50    55   0.37200 -1.0 2.0
   49    48    50    55  -0.47300  1.0 3.0
   49    53    58    59   3.62500 -1.0 2.0
   49    53    58    62   3.62500 -1.0 2.0
   53    49    69    67   3.62500 -1.0 2.0
   53    49    69    70   3.62500 -1.0 2.0
   53    58   -62    67   3.62500 -1.0 2.0
   53    58    62    68   3.62500 -1.0 2.0
   54    53    58    59   3.62500 -1.0 2.0
   54    53    58    62   3.62500 -1.0 2.0
   58    62    67    69   3.62500 -1.0 2.0
   58    62    67    71   3.62500 -1.0 2.0
   58    62    68    72   1.63200 -1.0 2.0
   59    58    62    67   3.62500 -1.0 2.0
   59    58    62    68   3.62500 -1.0 2.0
   62    67   -69    49   3.62500 -1.0 2.0
   62    67    69    70   3.62500 -1.0 2.0
   62    67    71    76   1.63200 -1.0 2.0
   62    68    72    73   0.08050  1.0 3.0
   62    68    72    74   0.08050  1.0 3.0
   62    68    72    75   0.08050  1.0 3.0
   67    62    68    72   1.63200 -1.0 2.0
   67    71    76    77   0.08050  1.0 3.0
   67    71    76    78   0.08050  1.0 3.0
   67    71    76    79   0.08050  1.0 3.0
   69    49    53    54   3.62500 -1.0 2.0
   69    49   -53    58   3.62500 -1.0 2.0
   69    67    71    76   1.63200 -1.0 2.0
   71    67    69    49   3.62500 -1.0 2.0
   71    67    69    70   3.62500 -1.0 2.0
   68    62    67    69   3.62500 -1.0 2.0
   68    62    67    71   3.62500 -1.0 2.0
   50    48    49    53   0.04150 -1.0 2.0
   50    48    49    69   0.04150 -1.0 2.0
   50    55   -60    46   0.47100  1.0 1.0
   50    55    60    61   0.17350  1.0 3.0
   50    55    60    63   0.47100  1.0 1.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    60   0.19200  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    57   0.15000  1.0 3.0
   52    50    55    60   0.19200  1.0 3.0
   55    60    63    64   0.15000  1.0 3.0
   55    60    63    65   0.15000  1.0 3.0
   55    60    63    66   0.15000  1.0 3.0
   56    55    60    46   0.15000  1.0 3.0
   56    55    60    61   0.13050  1.0 3.0
   56    55    60    63   0.15000  1.0 3.0
   57    55    60    46   0.15000  1.0 3.0
   57    55    60    61   0.13050  1.0 3.0
   57    55    60    63   0.15000  1.0 3.0
   60    46    48    33   1.36600  1.0 1.0
   60    46    48    33  -0.11450 -1.0 2.0
   60    46    48    33   0.24250  1.0 3.0
   60    46    48    49   1.24050  1.0 1.0
   60    46    48    49   0.48100 -1.0 2.0
   60    46    48    49   1.08150  1.0 3.0
   60    46   -48    50   1.36600  1.0 1.0
   60    46   -48    50  -0.11450 -1.0 2.0
   60    46   -48    50   0.24250  1.0 3.0
   61    60    63    64   0.13050  1.0 3.0
   61    60    63    65   0.13050  1.0 3.0
   61    60    63    66   0.13050  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   53    69    49    48   4.00000 -1.0 2.0
   58    54    53    49   1.10000 -1.0 2.0
   62    59    58    53   1.10000 -1.0 2.0
   67    68    62    58   4.00000 -1.0 2.0
   69    71    67    62   4.00000 -1.0 2.0
   67    70    69    49   1.10000 -1.0 2.0
END
