* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    144    222     428
    1     0 S   NP   _N1_     1    27.95566    96.30931   -22.49572
    2     1 S   H    _HN1     2     1.02956    78.71961    -5.00789
    3     1 S   H    _H1_     3     1.02833    33.65196   142.07532
    4     1 S   H    _H2_     4     1.02774   100.80606  -111.78473
    5     1 S   CT   _CA1     5     1.50135   139.59763   103.26317
    6     5 S   HC   _HA1     6     1.09573   105.21463    81.00022
    7     5 S   CO3  _C1_     7     1.53790   112.33722   -39.20170
    8     7 S   O2Z  _O11     8     1.26370   114.99242   -43.97266
    9     7 S   O2Z  _O12     9     1.26231   114.93577   135.07706
   10     5 S   CT   _CB1    10     1.53090   107.41269  -161.07292
   11    10 S   HC   HB11    11     1.09828   109.35853   -50.18191
   12    10 S   HC   HB12    12     1.09816   110.41981    66.38151
   13    10 S   CT   _CG1    13     1.53016   112.66998  -171.23052
   14    13 S   HC   HG11    14     1.09595   110.51496   -64.21328
   15    13 S   HC   HG12    15     1.09656   109.91548    54.99906
   16    13 S   C    _CD1    16     1.51836   112.27611   175.39253
   17    16 S   O    _OE1    17     1.22751   123.30207     1.13021
   18    16 S   N    _N2_    18     1.38533   111.72918  -178.95807
   19    18 S   H    _HN2    19     1.01590   119.08453     4.05956
   20    18 S   CT1  _CA2    20     1.45881   122.87548   178.50407
   21    20 S   HC   _HA2    21     1.09718   108.94679    25.23230
   22    20 S   C    _C2_    22     1.52899   106.90843   -92.07638
   23    22 S   O    _O2_    23     1.22998   122.96800   -28.11920
   24    20 S   CT   _CB2    32     1.53255   112.05094   148.40445
   25    24 S   HC   HB21    33     1.09460   109.53140    57.16701
   26    24 S   HC   HB22    34     1.09469   109.91011   175.55864
   27    22 S   N    _N3_    24     1.38475   112.68606   154.69693
   28    27 S   H    _HN3    25     1.01671   120.42590    -1.94682
   29    24 S   S    _SG2    35     1.82969   110.72155   -64.73976
   30    27 S   CT   _CA3    26     1.45364   122.33318   178.59807
   31    30 S   HC   HA31    27     1.09570   107.65547   -58.82210
   32    30 S   HC   HA32    28     1.09569   107.72554    57.46430
   33    29 S   CT   _C11    36     1.85231   102.55469   160.62574
   34    30 S   CO3  _C3_    29     1.52858   114.44890   179.33914
   35    34 S   O2Z  _O31    30     1.26309   116.08379    -0.76617
   36    34 S   O2Z  _O32    31     1.26450   114.38793   179.24931
   37    33 S   CO4  _C10    37     1.52802   106.89353   -61.15751
   38    37 S   O    _O35    38     1.22158   127.75150   -33.49799
   39    33 S   CT   _C12    57     1.56637   111.69640  -172.80882
   40    39 S   HC   _H14    58     1.09767   109.06857  -176.28142
   41    39 S   HC   _H15    59     1.10330   107.52661    74.33507
   42    37 S   OS   _O34    39     1.36081   108.47521   150.96879
   43    42 S   CO4  _C9_    40     1.36320   110.41965   -10.19410
   44    43 S   O    _O33    41     1.21805   122.85623   167.83989
   45    33 S   CT   _C8_    42     1.55173   116.13537    48.65629
   46    45 S   HC   _H4_    43     1.09650   108.38895   -41.90798
   47    45 S   CT   _C7_    44     1.56980   123.06818    82.97563
   48    47 S   HC   _H3_    45     1.09225   107.44467    64.05281
   49    47 S   CT   _C19    46     1.57536   112.42493   -57.27623
   50    49 S   OM   _O37    47     1.32554   112.50618  -162.70772
   51    49 S   HC   _H6_    48     1.09728   106.21347   -30.91947
   52    47 S   CT   _C6_    68     1.57848   110.66897   177.66854
   53    52 S   HC   _H12    69     1.09763   109.53020  -177.66947
   54    52 S   HC   _H13    70     1.09319   110.29212   -65.24221
   55    49 S   CO4  _C18    49     1.54265   114.37886    85.31322
   56    55 S   O    _O36    50     1.23782   120.37775  -137.18062
   57    52 S   CT   _C5_    71     1.53349   115.46439    58.40627
   58    57 S   HC   _H10    72     1.09484   110.28962   -67.53963
   59    57 S   HC   _H11    73     1.09470   110.87395    51.23805
   60    55 S   CT   _C17    51     1.52539   120.31047    46.43121
   61    60 S   HC   _H20    52     1.09533   110.06162    30.65274
   62    60 S   HC   _H21    53     1.09893   105.22996   143.48036
   63    57 S   CT   _C4_    74     1.52218   111.23330   172.50103
   64    63 S   HC   _H7_    75     1.09466   111.01151   -61.17675
   65    63 S   HC   _H8_    76     1.09453   110.23632   179.13589
   66    63 S   HC   _H9_    77     1.09469   110.99188    59.40769
   67    60 S   CT   _C16    54     1.52896   115.50311   -96.72663
   68    67 S   HC   _H5_    55     1.09697   107.57636  -139.21029
   69    67 S   CM   _C13    56     1.51519   116.07359   -17.38567
   70    67 S   OH   _O38    66     1.42965   110.21845   108.94907
   71    70 S   HO   _H22    67     0.97245   107.68034    55.57035
   72    69 S   CM   _C14    60     1.35167   121.91780   -87.04846
   73    72 S   HC   _H16    61     1.08928   118.40144  -175.89955
   74    72 S   CT   _C15    62     1.49531   127.94963     5.57496
   75    74 S   HC   _H17    63     1.09419   109.79563  -115.05869
   76    74 S   HC   _H18    64     1.09483   109.40534   126.44322
   77    74 S   HC   _H19    65     1.09189   113.69850     6.48655
  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  12   5   4   3
  17   2   1   1  11   4  15   5   4   5   7   3  12   4  14   8
  12   5   4  10   5   4   8   4   6   5   4   8   5   4   3   2
   1   1   7   4   8   2   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    45    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    43    45    46    47    69    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    45    46    47    48    49    67    69    39    40    41    72    52  
   35    36  
   36  
    0  
   38    42    43    44    45    46    47    69    39    40    41  
   42    43    45    39  
   40    41    72    73    74    70    42    43    45    46    47    60    67    68    69  
   41    72    45    67    69  
   72    45    67    69  
   43    44    45    46    47  
   44    45    46    47    48    49    52  
   45    46    47  
   46    47    48    49    50    51    55    69    52    53    54    57  
   47    48    49    52  
   48    49    50    51    55    56    60    52    53    54    57    58    59    63  
   49    50    51    55    52    53    54    57  
   50    51    55    56    60    61    62    67    52    53    54    57  
   51    55    56    60    52  
   55    56    60    52  
   53    54    57    58    59    63    64    65    66    55  
   54    57    58    59    63  
   57    58    59    63  
   56    60    61    62    67    68    69    70  
   60    61    62    67  
   58    59    63    64    65    66  
   59    63    64    65    66  
   63    64    65    66  
   61    62    67    68    69    72    70    71  
   62    67    68    69    70  
   67    68    69    70  
   64    65    66  
   65    66  
   66  
    0  
   68    69    72    73    74    70    71  
   69    72    70    71  
   72    73    74    75    76    77    70    71  
   71    72  
    0  
   73    74    75    76    77  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.0000   0.1700  -0.160000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   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    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   317.000  1.522
   33    45   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    42   214.000  1.327
   42    43   214.000  1.327
   43    44   570.000  1.229
   43    45   317.000  1.522
   45    46   340.000  1.090
   45    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    52   268.000  1.529
   49    50   570.000  1.307
   49    51   340.000  1.090
   49    55   317.000  1.522
   55    56   570.000  1.229
   55    60   317.000  1.522
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    67   268.000  1.529
   67    68   340.000  1.090
   67    69   317.000  1.510
   67    70   320.000  1.410
   69    39   317.000  1.510
   69    72   549.000  1.340
   39    40   340.000  1.090
   39    41   340.000  1.090
   72    73   340.000  1.080
   72    74   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   70    71   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   268.000  1.529
   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    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  110.18000
   29    33    45    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    42    81.00000  111.40000
   33    45    43    63.00000  111.10000
   33    45    46    37.50000  110.70000
   33    45    47    58.35000  112.70000
   33    39    69    70.00000  112.02700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43   105.00000  110.06700
   42    37    38    83.00000  123.40000
   42    43    44    83.00000  123.40000
   42    43    45    81.00000  111.40000
   43    45    46    35.00000  109.50000
   43    45    47    63.00000  111.10000
   45    33    37    63.00000  111.10000
   45    43    44    80.00000  120.40000
   45    47    48    37.50000  110.70000
   45    47    49    58.35000  112.70000
   45    47    52    58.35000  112.70000
   47    45    46    37.50000  110.70000
   47    49    50    50.00000  109.50000
   47    49    51    37.50000  110.70000
   47    49    55    63.00000  111.10000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    57    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    55    56    80.00000  120.40000
   49    55    60    70.00000  116.00000
   51    49    50    45.00000  125.66300
   55    49    50    90.00000  108.74100
   55    49    51    35.00000  109.50000
   55    60    61    35.00000  109.50000
   55    60    62    35.00000  109.50000
   55    60    67    63.00000  111.10000
   60    55    56    80.00000  120.40000
   60    67    68    37.50000  110.70000
   60    67    69    70.00000  112.02700
   60    67    70    50.00000  109.50000
   62    60    61    33.00000  107.80000
   67    60    61    37.50000  110.70000
   67    60    62    37.50000  110.70000
   67    69    39    65.00000  117.92700
   67    69    72    70.00000  124.00000
   67    70    71    55.00000  108.50000
   69    67    68    35.00000  109.50000
   69    39    40    35.00000  109.50000
   69    39    41    35.00000  109.50000
   69    72    73    35.00000  120.00000
   69    72    74    70.00000  124.00000
   39    33    37    63.00000  111.10000
   39    33    45    58.35000  112.70000
   41    39    40    33.00000  107.80000
   72    69    39    70.00000  124.00000
   72    74    75    35.00000  109.50000
   72    74    76    35.00000  109.50000
   72    74    77    35.00000  109.50000
   74    72    73    35.00000  117.00000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   70    67    68    35.00000  109.50000
   70    67    69    90.00000  110.39200
   52    47    48    37.50000  110.70000
   52    47    49    58.35000  112.70000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    63    58.35000  112.70000
   54    52    53    33.00000  107.80000
   57    52    53    37.50000  110.70000
   57    52    54    37.50000  110.70000
   57    63    64    37.50000  110.70000
   57    63    65    37.50000  110.70000
   57    63    66    37.50000  110.70000
   59    57    58    33.00000  107.80000
   63    57    58    37.50000  110.70000
   63    57    59    37.50000  110.70000
   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    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    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   0.21350  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    37    38   0.30150 -1.0 2.0
   29    33    37    42   0.40000  1.0 3.0
   29    33    45    43   0.56750  1.0 1.0
   29    33    45    43  -0.07550 -1.0 2.0
   29    33    45    43   0.20000  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   29    33    45    47   0.44750  1.0 1.0
   29    33    45    47  -0.17800 -1.0 2.0
   29    33    45    47   0.20200  1.0 3.0
   29    33    39    69   0.56750  1.0 1.0
   29    33    39    69  -0.07550 -1.0 2.0
   29    33    39    69   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    37   -42    43   2.00000 -1.0 2.0
   33    45    47    48   0.15000  1.0 3.0
   33    45    47    49   0.56750  1.0 1.0
   33    45    47    49  -0.07550 -1.0 2.0
   33    45    47    49   0.20000  1.0 3.0
   33    45    47    52   0.56750  1.0 1.0
   33    45    47    52  -0.07550 -1.0 2.0
   33    45    47    52   0.20000  1.0 3.0
   37    33   -45    43   0.11950  1.0 1.0
   37    33   -45    43   0.20300 -1.0 2.0
   37    33   -45    43  -0.70800  1.0 3.0
   37    33    45    46  -0.11250  1.0 3.0
   37    33    45    47  -0.95700  1.0 1.0
   37    33    45    47  -0.18200 -1.0 2.0
   37    33    45    47   0.29450  1.0 3.0
   37    33    39    69  -0.98800  1.0 1.0
   37    33    39    69   0.48800 -1.0 2.0
   37    33    39    69   0.76800  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    42    43    44   3.00000 -1.0 2.0
   37    42   -43    45   2.00000 -1.0 2.0
   38    37    42    43   3.00000 -1.0 2.0
   42    43   -45    33   0.36750  1.0 3.0
   42    43    45    46   0.00000  1.0 1.0
   42    43    45    47   0.36750  1.0 3.0
   43    45    47    48  -0.11250  1.0 3.0
   43    45    47    49  -0.95700  1.0 1.0
   43    45    47    49  -0.18200 -1.0 2.0
   43    45    47    49   0.29450  1.0 3.0
   43    45    47    52  -0.95700  1.0 1.0
   43    45    47    52  -0.18200 -1.0 2.0
   43    45    47    52   0.29450  1.0 3.0
   44    43    45    33   0.30150 -1.0 2.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.30150 -1.0 2.0
   45    33    37    38   0.30150 -1.0 2.0
   45    33   -37    42   0.36750  1.0 3.0
   45    33    39    69   0.34400  1.0 1.0
   45    33    39    69   0.09450 -1.0 2.0
   45    33    39    69   0.11100  1.0 3.0
   45    33    39    40   0.15000  1.0 3.0
   45    33    39    41   0.15000  1.0 3.0
   45    47    49    50   0.62750  1.0 1.0
   45    47    49    50  -0.30950 -1.0 2.0
   45    47    49    50   0.27300  1.0 3.0
   45    47    49    51   0.15000  1.0 3.0
   45    47    49    55  -0.95700  1.0 1.0
   45    47    49    55  -0.18200 -1.0 2.0
   45    47    49    55   0.29450  1.0 3.0
   45    47    52    53   0.15000  1.0 3.0
   45    47    52    54   0.15000  1.0 3.0
   45    47    52    57   0.56750  1.0 1.0
   45    47    52    57  -0.07550 -1.0 2.0
   45    47    52    57   0.20000  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    49   0.15000  1.0 3.0
   46    45    47    52   0.15000  1.0 3.0
   47    49    55    56   0.30150 -1.0 2.0
   47    49    55    60   0.60050  1.0 1.0
   47    49    55    60   0.05600 -1.0 2.0
   47    49    55    60   0.26150  1.0 3.0
   47    52    57    58   0.15000  1.0 3.0
   47    52    57    59   0.15000  1.0 3.0
   47    52    57    63   0.56750  1.0 1.0
   47    52    57    63  -0.07550 -1.0 2.0
   47    52    57    63   0.20000  1.0 3.0
   48    47    49    50   0.23400  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    55  -0.11250  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    54   0.15000  1.0 3.0
   48    47    52    57   0.15000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    54   0.15000  1.0 3.0
   49    47    52    57   0.56750  1.0 1.0
   49    47    52    57  -0.07550 -1.0 2.0
   49    47    52    57   0.20000  1.0 3.0
   49    55    60    61   0.00000  1.0 1.0
   49    55    60    62   0.00000  1.0 1.0
   49    55    60    67   0.60050  1.0 1.0
   49    55    60    67   0.05600 -1.0 2.0
   49    55    60    67   0.26150  1.0 3.0
   50    49    55    56   0.30150 -1.0 2.0
   50    49    55    60   0.55300  1.0 1.0
   50    49    55    60   1.25850 -1.0 2.0
   50    49    55    60  -0.23600  1.0 3.0
   51    49    55    56   0.00000  1.0 1.0
   51    49    55    60   0.00000  1.0 1.0
   55    60    67    68  -0.11250  1.0 3.0
   55    60    67    69  -0.98800  1.0 1.0
   55    60    67    69   0.48800 -1.0 2.0
   55    60    67    69   0.76800  1.0 3.0
   55    60    67    70  -0.09450  1.0 1.0
   55    60    67    70  -1.12950 -1.0 2.0
   55    60    67    70   0.54000  1.0 3.0
   56    55    60    61   0.00000  1.0 1.0
   56    55    60    62   0.00000  1.0 1.0
   56    55    60    67   0.30150 -1.0 2.0
   60    67    69    39   0.46850  1.0 1.0
   60    67    69    39   0.08550 -1.0 2.0
   60    67    69    39   0.09800  1.0 3.0
   60    67    69    72   0.09850  1.0 1.0
   60    67    69    72   0.15250 -1.0 2.0
   60    67    69    72  -0.50650  1.0 3.0
   60    67    70    71  -0.11600  1.0 1.0
   60    67    70    71  -0.09450 -1.0 2.0
   60    67    70    71   0.21250  1.0 3.0
   61    60    67    68   0.15000  1.0 3.0
   61    60    67    69   0.15000  1.0 3.0
   61    60    67    70   0.23400  1.0 3.0
   62    60    67    68   0.15000  1.0 3.0
   62    60    67    69   0.15000  1.0 3.0
   62    60    67    70   0.23400  1.0 3.0
   67    69    39    33   0.46850  1.0 1.0
   67    69    39    33   0.08550 -1.0 2.0
   67    69    39    33   0.09800  1.0 3.0
   67    69    39    40   0.34800  1.0 3.0
   67    69    39    41   0.34800  1.0 3.0
   67    69    72    73   7.00000 -1.0 2.0
   67    69    72    74   7.00000 -1.0 2.0
   68    67    69    39   0.34800  1.0 3.0
   68    67    69    72   0.00000  1.0 1.0
   68    67    70    71   0.19450  1.0 3.0
   69    67    70    71  -0.07800  1.0 1.0
   69    67    70    71  -0.21500 -1.0 2.0
   69    67    70    71  -0.03150  1.0 3.0
   69    72    74    75   0.00000  1.0 1.0
   69    72    74    76   0.00000  1.0 1.0
   69    72    74    77   0.00000  1.0 1.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    42   0.36750  1.0 3.0
   39    33    45    43  -0.95700  1.0 1.0
   39    33    45    43  -0.18200 -1.0 2.0
   39    33    45    43   0.29450  1.0 3.0
   39    33    45    46   0.15000  1.0 3.0
   39    33    45    47   0.56750  1.0 1.0
   39    33    45    47  -0.07550 -1.0 2.0
   39    33    45    47   0.20000  1.0 3.0
   39    69    72    73   7.00000 -1.0 2.0
   39    69    72    74   7.00000 -1.0 2.0
   72    69    39    33   0.09850  1.0 1.0
   72    69    39    33   0.15250 -1.0 2.0
   72    69    39    33  -0.50650  1.0 3.0
   72    69    39    40   0.00000  1.0 1.0
   72    69    39    41   0.00000  1.0 1.0
   73    72    74    75   0.33100  1.0 3.0
   73    72    74    76   0.33100  1.0 3.0
   73    72    74    77   0.33100  1.0 3.0
   70    67    69    39   0.18000  1.0 1.0
   70    67    69    39   0.16450 -1.0 2.0
   70    67    69    39   0.04450  1.0 3.0
   70    67    69    72   0.67800  1.0 1.0
   70    67    69    72   0.47050 -1.0 2.0
   70    67    69    72  -0.62500  1.0 3.0
   52    47    49    50   0.62750  1.0 1.0
   52    47    49    50  -0.30950 -1.0 2.0
   52    47    49    50   0.27300  1.0 3.0
   52    47    49    51   0.15000  1.0 3.0
   52    47    49    55  -0.95700  1.0 1.0
   52    47    49    55  -0.18200 -1.0 2.0
   52    47    49    55   0.29450  1.0 3.0
   52    57    63    64   0.15000  1.0 3.0
   52    57    63    65   0.15000  1.0 3.0
   52    57    63    66   0.15000  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    59   0.15000  1.0 3.0
   53    52    57    63   0.15000  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    59   0.15000  1.0 3.0
   54    52    57    63   0.15000  1.0 3.0
   58    57    63    64   0.15000  1.0 3.0
   58    57    63    65   0.15000  1.0 3.0
   58    57    63    66   0.15000  1.0 3.0
   59    57    63    64   0.15000  1.0 3.0
   59    57    63    65   0.15000  1.0 3.0
   59    57    63    66   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    38  10.50000 -1.0 2.0
   42    45    43    44  10.50000 -1.0 2.0
   49    60    55    56  10.50000 -1.0 2.0
   67    39    69    72   1.10000 -1.0 2.0
   74    73    72    69   1.10000 -1.0 2.0
END
