* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    151    236     440
    1     0 S   NP   _N1_     1    28.80482    95.69389   -21.53715
    2     1 S   H    _HN1     2     1.02785    90.13878   -90.32334
    3     1 S   H    _H1_     3     1.02949    82.08325    18.12628
    4     1 S   H    _H2_     4     1.02832    37.79974   149.86791
    5     1 S   CT   _CA1     5     1.50098   147.83361   134.33395
    6     5 S   HC   _HA1     6     1.09582   105.23822    69.50665
    7     5 S   CO3  _C1_     7     1.53815   112.18353   -50.64395
    8     7 S   O2Z  _O11     8     1.26355   115.07679   -50.29261
    9     7 S   O2Z  _O12     9     1.26234   114.90453   128.74551
   10     5 S   CT   _CB1    10     1.53083   107.38514  -172.75489
   11    10 S   HC   HB11    11     1.09824   109.40331   -51.28323
   12    10 S   HC   HB12    12     1.09814   110.48005    65.31768
   13    10 S   CT   _CG1    13     1.52939   112.50639  -172.33927
   14    13 S   HC   HG11    14     1.09528   110.35328   -62.39693
   15    13 S   HC   HG12    15     1.09651   110.01382    56.72386
   16    13 S   C    _CD1    16     1.51786   112.31464   177.09000
   17    16 S   O    _OE1    17     1.22728   123.31363    -3.34796
   18    16 S   N    _N2_    18     1.38588   111.62222   177.02178
   19    18 S   H    _HN2    19     1.01668   118.92872     0.70332
   20    18 S   CT1  _CA2    20     1.46229   123.52234   179.57942
   21    20 S   HC   _HA2    21     1.09728   109.40206     0.60133
   22    20 S   C    _C2_    22     1.53441   108.79720  -115.13158
   23    22 S   O    _O2_    23     1.23066   122.23927  -148.30820
   24    20 S   CT   _CB2    32     1.53360   111.16300   122.50247
   25    24 S   HC   HB21    33     1.09373   109.41800    57.34887
   26    24 S   HC   HB22    34     1.09507   110.68815   175.91985
   27    22 S   N    _N3_    24     1.38327   113.71138    39.25333
   28    27 S   H    _HN3    25     1.01606   119.55241    -3.85575
   29    24 S   S    _SG2    35     1.82760   111.19079   -64.57710
   30    27 S   CT   _CA3    26     1.45290   123.12217   176.90674
   31    30 S   HC   HA31    27     1.09554   107.54998   -62.97444
   32    30 S   HC   HA32    28     1.09559   107.91146    53.41913
   33    29 S   CT   _C7_    36     1.84328   100.19071   163.23411
   34    33 S   HC   _H5_    37     1.09815   106.38572    44.96557
   35    30 S   CO3  _C3_    29     1.52937   114.16493   175.36684
   36    35 S   O2Z  _O31    30     1.26364   116.07868    -1.23131
   37    35 S   O2Z  _O32    31     1.26438   114.40595   178.81949
   38    33 S   CT   _C8_    38     1.53893   109.47115   160.95707
   39    38 S   HC   _H6_    39     1.09810   108.56202   -57.35490
   40    33 S   CT   _C6_    52     1.54193   112.51567   -73.69415
   41    40 S   HC   _H4_    53     1.09609   109.12554    62.56796
   42    38 S   CM   _C9_    40     1.51910   110.77386  -178.56742
   43    40 S   OS   _O37    54     1.44210   111.08919   -59.04438
   44    38 S   OH   _O36    78     1.42587   111.60238    59.84103
   45    44 S   HO   _H20    79     0.97238   107.70722  -179.75055
   46    42 S   CM   _C10    41     1.34515   118.44664   129.17898
   47    46 S   HC   _H10    42     1.08583   121.47995    -0.85318
   48    43 S   CO4  _C19    55     1.36235   118.47868   113.06989
   49    48 S   O    _O38    56     1.22344   126.67383     0.31898
   50    46 S   CO4  _C11    43     1.47800   123.12736   176.97069
   51    50 S   O    _O33    44     1.22456   120.66762   178.93210
   52    48 S   CT   _C20    57     1.49837   109.38659  -178.60577
   53    52 S   HC   _H21    58     1.09328   110.00176   -50.32752
   54    52 S   HC   _H22    59     1.09339   109.29307  -168.79087
   55    52 S   HC   _H23    60     1.09256   109.70453    71.54214
   56    50 S   C3T  _C12    45     1.48767   115.84821    -1.70272
   57    56 S   CT   _C13    46     1.51062   116.52386    27.98328
   58    57 S   HC   _H11    47     1.09412   111.50399  -172.29640
   59    57 S   HC   _H12    48     1.09837   106.49848    72.42875
   60    56 S   C3T  _C16    69     1.54971   121.02843  -171.50423
   61    42 S   CT   _C14    49     1.53723   117.67112   -50.97089
   62    56 S   O3T  _O34    70     1.43630   112.97800  -106.99910
   63    60 S   CO4  _C18    71     1.48606   119.55280    -1.11978
   64    63 S   O    _O35    72     1.22483   121.15907  -102.37935
   65    63 S   HC   _H19    73     1.10287   116.87530    78.49203
   66    60 S   CT   _C17    74     1.50522   120.43660  -161.90980
   67    66 S   HC   _H16    75     1.09462   112.48553   -52.96361
   68    66 S   HC   _H17    76     1.09544   110.53220  -172.29477
   69    66 S   HC   _H18    77     1.09447   110.11758    68.52286
   70    61 S   CT   _C5_    50     1.57975   110.10472    44.68912
   71    70 S   HC   _H3_    51     1.10114   106.60482    71.05612
   72    61 S   CT   _C15    65     1.54755   108.77413   -79.17018
   73    72 S   HC   _H13    66     1.09559   111.56799  -169.24997
   74    72 S   HC   _H14    67     1.09182   112.97964    70.15791
   75    72 S   HC   _H15    68     1.09613   111.46689   -49.77723
   76    70 S   CT   _C4_    61     1.53823   113.58891  -172.55155
   77    76 S   HC   _H7_    62     1.09405   112.18673    63.81893
   78    76 S   HC   _H8_    63     1.09353   111.61846   -57.81138
   79    76 S   HC   _H9_    64     1.09588   110.31287  -176.47485
  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
  15   8   2   1   1  14   6  16   6  18  10   3   1  10   4   6
   4  10   4   3   2   1   1  15  14   6   5   9  11   7   6   2
   1   3   2   1   1   9   5   4   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    70    40    41    43    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    46    61    70    71    40    41    43    48    76    44    45  
   38    39    42    70    40    41    43    44  
   36    37  
   37  
    0  
   39    42    46    47    50    57    61    70    40    41    43    72    44    45  
   42    46    61    40    44    45  
   41    43    48    49    52    76    77    78    79    72    44    42    57    61    70    71  
   43    48    76    61    70    71  
   46    47    50    51    56    57    58    59    61    70    71    76    72    73    74    75    44    45  
   48    49    52    53    54    55    76    61    70    71  
   45    46    61  
    0  
   47    50    51    56    57    61    70    72    60    62  
   50    51    56    61  
   49    52    53    54    55    70  
   52    53    54    55  
   51    56    57    58    59    61    60    62    63    66  
   56    57    60    62  
   53    54    55  
   54    55  
   55  
    0  
   57    58    59    61    70    72    60    62    63    64    65    66    67    68    69  
   58    59    61    70    71    76    72    73    74    75    60    62    63    66  
   59    61    70    72    60    62  
   61    70    72    60    62  
   62    63    64    65    66    67    68    69    61  
   70    71    76    77    78    79    72    73    74    75    62  
   63    64    65    66    67    68    69  
   64    65    66    67    68    69  
   65    66  
   66  
   67    68    69  
   68    69  
   69  
    0  
   71    76    77    78    79    72    73    74    75  
   76    77    78    79    72  
   73    74    75    76  
   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   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   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   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   63   3.7500   0.1050   0.367200   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   65   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   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    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    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.510
   38    44   320.000  1.410
   42    46   549.000  1.340
   42    61   317.000  1.510
   46    47   340.000  1.080
   46    50   320.000  1.462
   50    51   570.000  1.229
   50    56   290.000  1.496
   56    57   275.000  1.510
   56    60   260.000  1.509
   56    62   335.000  1.432
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    61   268.000  1.529
   61    70   268.000  1.529
   61    72   268.000  1.529
   70    71   340.000  1.090
   70    40   268.000  1.529
   70    76   268.000  1.529
   40    41   340.000  1.090
   40    43   320.000  1.410
   43    48   214.000  1.327
   48    49   570.000  1.229
   48    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   60    62   335.000  1.432
   60    63   290.000  1.496
   60    66   275.000  1.510
   63    64   570.000  1.229
   63    65   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   44    45   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    70.00000  112.02700
   33    38    44    50.00000  109.50000
   33    40    70    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    43    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    46    70.00000  124.00000
   38    42    61    65.00000  117.92700
   38    44    45    55.00000  108.50000
   42    38    39    35.00000  109.50000
   42    46    47    35.00000  120.00000
   42    46    50    65.00000  118.96000
   42    61    57    70.00000  112.02700
   42    61    70    70.00000  112.02700
   42    61    72    70.00000  112.02700
   46    50    51    80.00000  123.72100
   46    50    56    65.00000  118.62400
   50    46    47    40.00000  117.72500
   50    56    57    63.00000  111.10000
   50    56    60    65.00000  117.18000
   50    56    62    80.00000  114.91000
   56    50    51    75.00000  121.36600
   56    57    58    45.00000  109.38400
   56    57    59    45.00000  109.38400
   56    57    61    70.00000  112.37300
   56    60    62    15.00000   60.43100
   56    60    63    65.00000  117.18000
   56    60    66    60.00000  120.94000
   56    62    60    15.00000   59.14900
   57    61    70    58.35000  112.70000
   57    61    72    58.35000  112.70000
   59    57    58    33.00000  107.80000
   61    42    46    70.00000  124.00000
   61    57    58    37.50000  110.70000
   61    57    59    37.50000  110.70000
   61    70    71    37.50000  110.70000
   61    70    40    58.35000  112.70000
   61    70    76    58.35000  112.70000
   61    72    73    37.50000  110.70000
   61    72    74    37.50000  110.70000
   61    72    75    37.50000  110.70000
   70    40    41    37.50000  110.70000
   70    40    43    50.00000  109.50000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    79    37.50000  110.70000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    70    71    37.50000  110.70000
   40    43    48    83.00000  116.90000
   43    40    41    35.00000  109.50000
   43    48    49    83.00000  123.40000
   43    48    52    81.00000  111.40000
   48    52    53    35.00000  109.50000
   48    52    54    35.00000  109.50000
   48    52    55    35.00000  109.50000
   52    48    49    80.00000  120.40000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   76    70    71    37.50000  110.70000
   76    70    40    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   72    61    70    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   60    56    57    60.00000  120.94000
   60    63    64    75.00000  121.36600
   60    63    65    40.00000  115.82000
   60    66    67    45.00000  109.38400
   60    66    68    45.00000  109.38400
   60    66    69    45.00000  109.38400
   62    56    57    80.00000  116.47100
   62    56    60    15.00000   60.43100
   63    60    62    80.00000  114.91000
   65    63    64    35.00000  123.00000
   66    60    62    80.00000  116.47100
   66    60    63    63.00000  111.10000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    42    90.00000  110.39200
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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    40    70   0.44750  1.0 1.0
   29    33    40    70  -0.17800 -1.0 2.0
   29    33    40    70   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   33    38    42    46   0.09850  1.0 1.0
   33    38    42    46   0.15250 -1.0 2.0
   33    38    42    46  -0.50650  1.0 3.0
   33    38    42    61   0.46850  1.0 1.0
   33    38    42    61   0.08550 -1.0 2.0
   33    38    42    61   0.09800  1.0 3.0
   33    38    44    45  -0.11600  1.0 1.0
   33    38    44    45  -0.09450 -1.0 2.0
   33    38    44    45   0.21250  1.0 3.0
   33    40    43    48  -0.25900  1.0 1.0
   33    40    43    48  -0.47000 -1.0 2.0
   33    40    43    48   0.11750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    44   0.23400  1.0 3.0
   34    33    40    70   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    43   0.23400  1.0 3.0
   38    33    40    70   0.56750  1.0 1.0
   38    33    40    70  -0.07550 -1.0 2.0
   38    33    40    70   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    43   0.62750  1.0 1.0
   38    33    40    43  -0.30950 -1.0 2.0
   38    33    40    43   0.27300  1.0 3.0
   38    42    46    47   7.00000 -1.0 2.0
   38    42    46    50   7.00000 -1.0 2.0
   38    42    61    57   0.46850  1.0 1.0
   38    42    61    57   0.08550 -1.0 2.0
   38    42    61    57   0.09800  1.0 3.0
   38    42   -61    70   0.46850  1.0 1.0
   38    42   -61    70   0.08550 -1.0 2.0
   38    42   -61    70   0.09800  1.0 3.0
   38    42    61    72   0.46850  1.0 1.0
   38    42    61    72   0.08550 -1.0 2.0
   38    42    61    72   0.09800  1.0 3.0
   39    38    42    46   0.00000  1.0 1.0
   39    38    42    61   0.34800  1.0 3.0
   39    38    44    45   0.19450  1.0 3.0
   42    38    44    45  -0.07800  1.0 1.0
   42    38    44    45  -0.21500 -1.0 2.0
   42    38    44    45  -0.03150  1.0 3.0
   42    46    50    51   1.00000 -1.0 2.0
   42    46    50    56  -0.33500  1.0 1.0
   42    46    50    56   1.06600 -1.0 2.0
   42    46    50    56  -0.14000  1.0 3.0
   42    61    70    71   0.15000  1.0 3.0
   42    61    70    40   0.34400  1.0 1.0
   42    61    70    40   0.09450 -1.0 2.0
   42    61    70    40   0.11100  1.0 3.0
   42    61    70    76   0.34400  1.0 1.0
   42    61    70    76   0.09450 -1.0 2.0
   42    61    70    76   0.11100  1.0 3.0
   42    61    72    73   0.15000  1.0 3.0
   42    61    72    74   0.15000  1.0 3.0
   42    61    72    75   0.15000  1.0 3.0
   46    42    61    57   0.09850  1.0 1.0
   46    42    61    57   0.15250 -1.0 2.0
   46    42    61    57  -0.50650  1.0 3.0
   46    42    61    70   0.09850  1.0 1.0
   46    42    61    70   0.15250 -1.0 2.0
   46    42    61    70  -0.50650  1.0 3.0
   46    42    61    72   0.09850  1.0 1.0
   46    42    61    72   0.15250 -1.0 2.0
   46    42    61    72  -0.50650  1.0 3.0
   46    50   -56    57   0.65300  1.0 1.0
   46    50   -56    57  -0.03850 -1.0 2.0
   46    50   -56    57   0.33900  1.0 3.0
   46    50    56    60   0.65300  1.0 1.0
   46    50    56    60  -0.03850 -1.0 2.0
   46    50    56    60   0.33900  1.0 3.0
   46    50    56    62   0.65300  1.0 1.0
   46    50    56    62  -0.03850 -1.0 2.0
   46    50    56    62   0.33900  1.0 3.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    56   0.04550  1.0 1.0
   47    46    50    56   0.83000 -1.0 2.0
   47    46    50    56  -0.04000  1.0 3.0
   50    56    57    58  -0.11250  1.0 3.0
   50    56    57    59  -0.11250  1.0 3.0
   50    56    57    61  -0.95700  1.0 1.0
   50    56    57    61  -0.18200 -1.0 2.0
   50    56    57    61   0.29450  1.0 3.0
   50    56   -60    62  -0.09450  1.0 1.0
   50    56   -60    62  -1.12950 -1.0 2.0
   50    56   -60    62   0.54000  1.0 3.0
   50    56    60    63   0.11950  1.0 1.0
   50    56    60    63   0.20300 -1.0 2.0
   50    56    60    63  -0.70800  1.0 3.0
   50    56    60    66  -0.95700  1.0 1.0
   50    56    60    66  -0.18200 -1.0 2.0
   50    56    60    66   0.29450  1.0 3.0
   50    56   -62    60  -1.11000  1.0 1.0
   50    56   -62    60   0.50250 -1.0 2.0
   50    56   -62    60   0.47450  1.0 3.0
   51    50    56    57   0.30150 -1.0 2.0
   51    50    56    60   0.30150 -1.0 2.0
   51    50    56    62   0.30150 -1.0 2.0
   56    57   -61    42   0.34400  1.0 1.0
   56    57   -61    42   0.09450 -1.0 2.0
   56    57   -61    42   0.11100  1.0 3.0
   56    57    61    70   0.47050  1.0 1.0
   56    57    61    70   0.03900 -1.0 2.0
   56    57    61    70   0.20100  1.0 3.0
   56    57    61    72   0.47050  1.0 1.0
   56    57    61    72   0.03900 -1.0 2.0
   56    57    61    72   0.20100  1.0 3.0
   56    60    63    64   0.30150 -1.0 2.0
   56    60    63    65   0.74550  1.0 1.0
   56    60    63    65  -0.00500 -1.0 2.0
   56    60    66    67   0.15000  1.0 3.0
   56    60    66    68   0.15000  1.0 3.0
   56    60    66    69   0.15000  1.0 3.0
   57    56   -60    62   0.02550  1.0 1.0
   57    56   -60    62  -0.02600 -1.0 2.0
   57    56   -60    62   1.20400  1.0 3.0
   57    56    60    63  -0.95700  1.0 1.0
   57    56    60    63  -0.18200 -1.0 2.0
   57    56    60    63   0.29450  1.0 3.0
   57    56    60    66   0.56750  1.0 1.0
   57    56    60    66  -0.07550 -1.0 2.0
   57    56    60    66   0.20000  1.0 3.0
   57    56   -62    60   0.06250  1.0 1.0
   57    56   -62    60  -0.01100 -1.0 2.0
   57    56   -62    60   0.28050  1.0 3.0
   57    61    70    71   0.15000  1.0 3.0
   57    61    70    40   0.56750  1.0 1.0
   57    61    70    40  -0.07550 -1.0 2.0
   57    61    70    40   0.20000  1.0 3.0
   57    61    70    76   0.56750  1.0 1.0
   57    61    70    76  -0.07550 -1.0 2.0
   57    61    70    76   0.20000  1.0 3.0
   57    61    72    73   0.15000  1.0 3.0
   57    61    72    74   0.15000  1.0 3.0
   57    61    72    75   0.15000  1.0 3.0
   58    57    61    42   0.15000  1.0 3.0
   58    57    61    70   0.15000  1.0 3.0
   58    57    61    72   0.15000  1.0 3.0
   59    57    61    42   0.15000  1.0 3.0
   59    57    61    70   0.15000  1.0 3.0
   59    57    61    72   0.15000  1.0 3.0
   61    42    46    47   7.00000 -1.0 2.0
   61    42   -46    50   7.00000 -1.0 2.0
   61    70   -40    33   0.56750  1.0 1.0
   61    70   -40    33  -0.07550 -1.0 2.0
   61    70   -40    33   0.20000  1.0 3.0
   61    70    40    41   0.15000  1.0 3.0
   61    70    40    43   0.62750  1.0 1.0
   61    70    40    43  -0.30950 -1.0 2.0
   61    70    40    43   0.27300  1.0 3.0
   61    70    76    77   0.15000  1.0 3.0
   61    70    76    78   0.15000  1.0 3.0
   61    70    76    79   0.15000  1.0 3.0
   70    61    72    73   0.15000  1.0 3.0
   70    61    72    74   0.15000  1.0 3.0
   70    61    72    75   0.15000  1.0 3.0
   70    40    43    48  -0.25900  1.0 1.0
   70    40    43    48  -0.47000 -1.0 2.0
   70    40    43    48   0.11750  1.0 3.0
   71    70    40    33   0.15000  1.0 3.0
   71    70    40    41   0.15000  1.0 3.0
   71    70    40    43   0.23400  1.0 3.0
   71    70    76    77   0.15000  1.0 3.0
   71    70    76    78   0.15000  1.0 3.0
   71    70    76    79   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42   0.34400  1.0 1.0
   40    33   -38    42   0.09450 -1.0 2.0
   40    33   -38    42   0.11100  1.0 3.0
   40    33    38    44   0.86500  1.0 1.0
   40    33    38    44  -0.17500 -1.0 2.0
   40    33    38    44   0.20800  1.0 3.0
   40    70    76    77   0.15000  1.0 3.0
   40    70    76    78   0.15000  1.0 3.0
   40    70    76    79   0.15000  1.0 3.0
   40    43    48    49   3.00000 -1.0 2.0
   40    43    48    52   1.63150  1.0 1.0
   40    43    48    52   2.92000 -1.0 2.0
   41    40    43    48   0.08050  1.0 3.0
   43    48    52    53   0.00000  1.0 1.0
   43    48    52    54   0.00000  1.0 1.0
   43    48    52    55   0.00000  1.0 1.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    54   0.00000  1.0 1.0
   49    48    52    55   0.00000  1.0 1.0
   76    70    40    33   0.56750  1.0 1.0
   76    70    40    33  -0.07550 -1.0 2.0
   76    70    40    33   0.20000  1.0 3.0
   76    70    40    41   0.15000  1.0 3.0
   76    70    40    43   0.62750  1.0 1.0
   76    70    40    43  -0.30950 -1.0 2.0
   76    70    40    43   0.27300  1.0 3.0
   72    61    70    71   0.15000  1.0 3.0
   72    61    70    40   0.56750  1.0 1.0
   72    61    70    40  -0.07550 -1.0 2.0
   72    61    70    40   0.20000  1.0 3.0
   72    61    70    76   0.56750  1.0 1.0
   72    61    70    76  -0.07550 -1.0 2.0
   72    61    70    76   0.20000  1.0 3.0
   60    56    57    58   0.15000  1.0 3.0
   60    56    57    59   0.15000  1.0 3.0
   60    56    57    61   0.07850  1.0 1.0
   60    56    57    61  -0.03950 -1.0 2.0
   60    56    57    61   0.67350  1.0 3.0
   62    56    57    58   0.23400  1.0 3.0
   62    56    57    59   0.23400  1.0 3.0
   62    56    57    61   0.02550  1.0 1.0
   62    56    57    61  -0.02600 -1.0 2.0
   62    56    57    61   1.20400  1.0 3.0
   62    56   -60    63  -0.09450  1.0 1.0
   62    56   -60    63  -1.12950 -1.0 2.0
   62    56   -60    63   0.54000  1.0 3.0
   62    56   -60    66   0.02550  1.0 1.0
   62    56   -60    66  -0.02600 -1.0 2.0
   62    56   -60    66   1.20400  1.0 3.0
   62    60    63    64   0.30150 -1.0 2.0
   62    60    63    65   0.00000  1.0 1.0
   62    60    66    67   0.23400  1.0 3.0
   62    60    66    68   0.23400  1.0 3.0
   62    60    66    69   0.23400  1.0 3.0
   63    60   -62    56  -1.11000  1.0 1.0
   63    60   -62    56   0.50250 -1.0 2.0
   63    60   -62    56   0.47450  1.0 3.0
   63    60    66    67  -0.11250  1.0 3.0
   63    60    66    68  -0.11250  1.0 3.0
   63    60    66    69  -0.11250  1.0 3.0
   66    60   -62    56   0.06250  1.0 1.0
   66    60   -62    56  -0.01100 -1.0 2.0
   66    60   -62    56   0.28050  1.0 3.0
   66    60    63    64   0.30150 -1.0 2.0
   66    60    63    65   0.74550  1.0 1.0
   66    60    63    65  -0.00500 -1.0 2.0
   44    38    42    46   0.67800  1.0 1.0
   44    38    42    46   0.47050 -1.0 2.0
   44    38    42    46  -0.62500  1.0 3.0
   44    38    42    61   0.18000  1.0 1.0
   44    38    42    61   0.16450 -1.0 2.0
   44    38    42    61   0.04450  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    61    42    46   1.10000 -1.0 2.0
   50    47    46    42   1.10000 -1.0 2.0
   46    56    50    51  10.50000 -1.0 2.0
   43    52    48    49  10.50000 -1.0 2.0
   60    65    63    64  10.50000 -1.0 2.0
END
