* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    148    237     443
    1     0 S   NP   _N1_     1    29.34096    92.24506   -23.44794
    2     1 S   H    _HN1     2     1.02982    96.31688    34.30971
    3     1 S   H    _H1_     3     1.02802    13.91040   176.60650
    4     1 S   H    _H2_     4     1.02790   104.38781   -76.20120
    5     1 S   CT   _CA1     5     1.50205   123.87499   153.93334
    6     5 S   HC   _HA1     6     1.09565   105.29764    65.28381
    7     5 S   CO3  _C1_     7     1.53769   112.43795   -55.03607
    8     7 S   O2Z  _O11     8     1.26364   115.05483   -42.52213
    9     7 S   O2Z  _O12     9     1.26253   114.92422   136.56569
   10     5 S   CT   _CB1    10     1.52906   107.07931  -176.85409
   11    10 S   HC   HB11    11     1.09807   109.10522   -50.89693
   12    10 S   HC   HB12    12     1.09782   110.16433    65.59098
   13    10 S   CT   _CG1    13     1.52887   113.28567  -172.34568
   14    13 S   HC   HG11    14     1.09576   110.23339   -63.13442
   15    13 S   HC   HG12    15     1.09605   110.40252    56.27481
   16    13 S   C    _CD1    16     1.51788   111.53539   176.06562
   17    16 S   O    _OE1    17     1.22778   123.08271   -17.98647
   18    16 S   N    _N2_    18     1.38543   112.03346   163.08837
   19    18 S   H    _HN2    19     1.01565   119.18984     3.06893
   20    18 S   CT1  _CA2    20     1.46039   123.09871  -178.37948
   21    20 S   HC   _HA2    21     1.09605   109.32993     0.46897
   22    20 S   C    _C2_    22     1.53450   109.08739  -114.90171
   23    22 S   O    _O2_    23     1.23073   122.20180  -148.97863
   24    20 S   CT   _CB2    32     1.53334   111.59426   122.47039
   25    24 S   HC   HB21    33     1.09658   109.64407    64.15021
   26    24 S   HC   HB22    34     1.09575   110.79151  -178.62428
   27    22 S   N    _N3_    24     1.38317   113.76182    38.56460
   28    27 S   H    _HN3    25     1.01611   119.56510    -3.57320
   29    24 S   S    _SG2    35     1.82914   114.86656   -55.68480
   30    27 S   CT   _CA3    26     1.45289   123.07537   176.87632
   31    30 S   HC   HA31    27     1.09554   107.54415   -63.21024
   32    30 S   HC   HA32    28     1.09560   107.91519    53.17716
   33    29 S   CT   _C20    36     1.83611   100.03531   -63.72187
   34    33 S   HC   _H3_    37     1.09936   106.69798   -45.57760
   35    33 S   HC   _H4_    38     1.09612   107.86644    67.84716
   36    30 S   CO3  _C3_    29     1.52922   114.18866   175.16110
   37    36 S   O2Z  _O31    30     1.26354   116.07647    -0.46394
   38    36 S   O2Z  _O32    31     1.26434   114.40027   179.58222
   39    33 S   CT   _C18    39     1.57393   115.14485  -167.67870
   40    39 S   OM   _O18    40     1.32260   105.42503  -177.44097
   41    39 S   CT   _C12    41     1.56598   106.97533    67.20331
   42    41 S   HC   _H33    42     1.10165   109.89866    46.49899
   43    41 S   HC   _H34    43     1.09903   109.55395   -67.14026
   44    39 S   CT   _C15    65     1.57854   113.44973   -55.47834
   45    44 S   HC   _H37    66     1.10102   105.34363    73.56880
   46    41 S   CT   _C16    44     1.52769   118.11442   169.33598
   47    46 S   HC   _H38    45     1.09913   109.37779   -65.17500
   48    46 S   CT   _C13    46     1.51920   114.72613    61.83341
   49    48 S   HC   _H35    47     1.09823   110.99700    43.73781
   50    48 S   CM   _C4_    48     1.49471    98.38421   155.34322
   51    48 S   CT   _C10    55     1.52746   111.16331   -80.26326
   52    51 S   HC   _H29    56     1.09741   109.11604  -151.25108
   53    51 S   HC   _H30    57     1.09747   109.76908   -35.81511
   54    50 S   CO4  _C5_    49     1.48141   107.74547   -28.67860
   55    54 S   O    _O19    50     1.21730   127.24022  -166.73792
   56    50 S   CM   _C7_    52     1.33563   130.95950   150.44973
   57    56 S   HC   _H25    53     1.08390   121.53100     1.04136
   58    56 S   HC   _H26    54     1.08545   121.50032  -179.43386
   59    51 S   CT   _C17    58     1.53829   113.04688    88.54796
   60    46 S   OS   _O21    51     1.44171   109.22503   179.26219
   61    59 S   CM   _C6_    59     1.51927   115.11264  -164.28000
   62    59 S   OH   _O22    77     1.44656   106.38101    78.51455
   63    62 S   HO   _H44    78     0.97249   107.83610    65.04766
   64    61 S   CT   _C14    60     1.50571   110.33629   153.99682
   65    64 S   HC   _H36    61     1.09659   110.49712   119.15424
   66    61 S   CM   _C8_    74     1.34120   126.83173   -24.33125
   67    66 S   HC   _H27    75     1.08377   121.94775    -1.23796
   68    66 S   HC   _H28    76     1.08522   120.81747   178.94910
   69    64 S   CT   _C11    62     1.52808   104.25082     0.05935
   70    69 S   HC   _H31    63     1.09907   108.60676    93.66535
   71    69 S   HC   _H32    64     1.08977   112.25399  -149.03178
   72    64 S   OS   _O23    67     1.43606   109.62248  -117.46449
   73    72 S   CO4  _C9_    68     1.36103   117.26297  -150.45783
   74    73 S   O    _O20    69     1.22353   126.62940     4.14170
   75    73 S   CT   _C19    70     1.49826   109.39260  -176.13903
   76    75 S   HC   _H39    71     1.09277   109.83605   -62.72061
   77    75 S   HC   _H40    72     1.09377   109.35354   178.06913
   78    75 S   HC   _H41    73     1.09310   109.80432    59.19087
  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   7   5   4   3
  12   5   4   2   1   1  18   8  14   6   5  17   8  12   6  14
   8  10  12   4   3   5   2   3   1   1  12   1  12   4   1  11
   6   4   1   1   4   2   1   6   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    44  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    46    59    69    44    45  
   35    39    40    41    44  
   39    40    41    44  
   37    38  
   38  
    0  
   40    41    42    43    46    47    48    60    51    59    61    64    69    70    71    44    45    62  
   41    42    43    46    59    69    44    45  
   42    43    46    47    48    49    50    54    60    51    59    69    44    45  
   43    46    47    48    60    44  
   46    47    48    60    44  
   45    72    66    62    63    46    48    51    52    53    59    61    64    65    69    70    71  
   62    51    59    61    64    69    70    71  
   47    48    49    50    54    55    60    56    51    52    53    59  
   48    49    50    54    60    51  
   49    50    54    55    60    56    57    58    51    52    53    59    61    62  
   50    54    60    56    51    52    53    59  
   54    55    60    56    57    58    51    52    53    59  
   52    53    59    61    64    69    66    62    63    54    56    60  
   53    59    61    62  
   59    61    62  
   55    60    56    57    58  
   60    56  
   57    58    60  
   58  
    0  
   61    64    65    69    70    71    72    66    67    68    62    63  
    0  
   64    65    69    70    71    72    73    66    67    68    62    63  
   63    64    66    69  
    0  
   65    69    70    71    72    73    74    75    66    67    68  
   69    70    71    72    73    66  
   67    68    69    72  
   68  
    0  
   70    71    72    73  
   71    72  
   72  
   73    74    75    76    77    78  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   570.000  1.307
   39    41   268.000  1.529
   39    44   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    60   320.000  1.410
   48    49   340.000  1.090
   48    50   317.000  1.510
   48    51   268.000  1.529
   50    54   320.000  1.462
   50    56   549.000  1.340
   54    55   570.000  1.229
   54    60   214.000  1.327
   56    57   340.000  1.080
   56    58   340.000  1.080
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    59   268.000  1.529
   59    61   317.000  1.510
   59    44   268.000  1.529
   59    62   320.000  1.410
   61    64   317.000  1.510
   61    66   549.000  1.340
   64    65   340.000  1.090
   64    69   268.000  1.529
   64    72   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    44   268.000  1.529
   44    45   340.000  1.090
   72    73   214.000  1.327
   73    74   570.000  1.229
   73    75   317.000  1.522
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   66    67   340.000  1.080
   66    68   340.000  1.080
   62    63   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    50.00000  109.50000
   33    39    41    58.35000  112.70000
   33    39    44    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    37.50000  110.70000
   39    41    46    58.35000  112.70000
   39    44    59    58.35000  112.70000
   39    44    69    58.35000  112.70000
   39    44    45    37.50000  110.70000
   41    39    40    50.00000  109.50000
   41    46    47    37.50000  110.70000
   41    46    48    58.35000  112.70000
   41    46    60    50.00000  109.50000
   43    41    42    33.00000  107.80000
   46    41    42    37.50000  110.70000
   46    41    43    37.50000  110.70000
   46    48    49    37.50000  110.70000
   46    48    50    70.00000  112.02700
   46    48    51    58.35000  112.70000
   46    60    54    83.00000  116.90000
   48    46    47    37.50000  110.70000
   48    50    54    65.00000  116.34900
   48    50    56    70.00000  124.00000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    59    58.35000  112.70000
   50    48    49    35.00000  109.50000
   50    54    55    80.00000  123.72100
   50    54    60    90.00000  111.29400
   50    56    57    35.00000  120.00000
   50    56    58    35.00000  120.00000
   60    46    47    35.00000  109.50000
   60    46    48    50.00000  109.50000
   60    54    55    83.00000  123.40000
   56    50    54    65.00000  118.96000
   58    56    57    35.00000  117.00000
   51    48    49    37.50000  110.70000
   51    48    50    70.00000  112.02700
   51    59    61    70.00000  112.02700
   51    59    44    58.35000  112.70000
   51    59    62    50.00000  109.50000
   53    51    52    33.00000  107.80000
   59    51    52    37.50000  110.70000
   59    51    53    37.50000  110.70000
   59    61    64    65.00000  117.92700
   59    61    66    70.00000  124.00000
   59    44    69    58.35000  112.70000
   59    44    45    37.50000  110.70000
   59    62    63    55.00000  108.50000
   61    64    65    35.00000  109.50000
   61    64    69    70.00000  112.02700
   61    64    72    85.00000  110.90400
   61    66    67    35.00000  120.00000
   61    66    68    35.00000  120.00000
   64    69    70    37.50000  110.70000
   64    69    71    37.50000  110.70000
   64    69    44    58.35000  112.70000
   64    72    73    83.00000  116.90000
   69    64    65    37.50000  110.70000
   69    44    45    37.50000  110.70000
   71    69    70    33.00000  107.80000
   44    39    40    50.00000  109.50000
   44    39    41    58.35000  112.70000
   44    59    61    70.00000  112.02700
   44    69    70    37.50000  110.70000
   44    69    71    37.50000  110.70000
   72    64    65    35.00000  109.50000
   72    64    69    50.00000  109.50000
   72    73    74    83.00000  123.40000
   72    73    75    81.00000  111.40000
   73    75    76    35.00000  109.50000
   73    75    77    35.00000  109.50000
   73    75    78    35.00000  109.50000
   75    73    74    80.00000  120.40000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   66    61    64    70.00000  124.00000
   68    66    67    35.00000  117.00000
   62    59    61    90.00000  110.39200
   62    59    44    50.00000  109.50000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    44   0.44750  1.0 1.0
   29    33    39    44  -0.17800 -1.0 2.0
   29    33    39    44   0.20200  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.15000  1.0 3.0
   33    39    41    46   0.56750  1.0 1.0
   33    39    41    46  -0.07550 -1.0 2.0
   33    39    41    46   0.20000  1.0 3.0
   33    39    44    59   0.56750  1.0 1.0
   33    39    44    59  -0.07550 -1.0 2.0
   33    39    44    59   0.20000  1.0 3.0
   33    39    44    69   0.56750  1.0 1.0
   33    39    44    69  -0.07550 -1.0 2.0
   33    39    44    69   0.20000  1.0 3.0
   33    39    44    45   0.15000  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44   0.15000  1.0 3.0
   35    33    39    40   0.23400  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    44   0.15000  1.0 3.0
   39    41    46    47   0.15000  1.0 3.0
   39    41    46    48   0.56750  1.0 1.0
   39    41    46    48  -0.07550 -1.0 2.0
   39    41    46    48   0.20000  1.0 3.0
   39    41    46    60   0.62750  1.0 1.0
   39    41    46    60  -0.30950 -1.0 2.0
   39    41    46    60   0.27300  1.0 3.0
   40    39    41    42   0.23400  1.0 3.0
   40    39    41    43   0.23400  1.0 3.0
   40    39    41    46   0.62750  1.0 1.0
   40    39    41    46  -0.30950 -1.0 2.0
   40    39    41    46   0.27300  1.0 3.0
   40    39    44    59   0.62750  1.0 1.0
   40    39    44    59  -0.30950 -1.0 2.0
   40    39    44    59   0.27300  1.0 3.0
   40    39    44    69   0.62750  1.0 1.0
   40    39    44    69  -0.30950 -1.0 2.0
   40    39    44    69   0.27300  1.0 3.0
   40    39    44    45   0.23400  1.0 3.0
   41    39    44    59   0.56750  1.0 1.0
   41    39    44    59  -0.07550 -1.0 2.0
   41    39    44    59   0.20000  1.0 3.0
   41    39    44    69   0.56750  1.0 1.0
   41    39    44    69  -0.07550 -1.0 2.0
   41    39    44    69   0.20000  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    46    48    49   0.15000  1.0 3.0
   41    46    48    50   0.34400  1.0 1.0
   41    46    48    50   0.09450 -1.0 2.0
   41    46    48    50   0.11100  1.0 3.0
   41    46    48    51   0.56750  1.0 1.0
   41    46    48    51  -0.07550 -1.0 2.0
   41    46    48    51   0.20000  1.0 3.0
   41    46    60    54  -0.25900  1.0 1.0
   41    46    60    54  -0.47000 -1.0 2.0
   41    46    60    54   0.11750  1.0 3.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    48   0.15000  1.0 3.0
   42    41    46    60   0.23400  1.0 3.0
   43    41    46    47   0.15000  1.0 3.0
   43    41    46    48   0.15000  1.0 3.0
   43    41    46    60   0.23400  1.0 3.0
   46    48   -50    54   0.09700  1.0 1.0
   46    48   -50    54   0.15600 -1.0 2.0
   46    48   -50    54  -0.50800  1.0 3.0
   46    48    50    56   0.09850  1.0 1.0
   46    48    50    56   0.15250 -1.0 2.0
   46    48    50    56  -0.50650  1.0 3.0
   46    48    51    52   0.15000  1.0 3.0
   46    48    51    53   0.15000  1.0 3.0
   46    48    51    59   0.56750  1.0 1.0
   46    48    51    59  -0.07550 -1.0 2.0
   46    48    51    59   0.20000  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    51   0.15000  1.0 3.0
   47    46    60    54   0.08050  1.0 3.0
   48    46   -60    54  -0.25900  1.0 1.0
   48    46   -60    54  -0.47000 -1.0 2.0
   48    46   -60    54   0.11750  1.0 3.0
   48    50    54    55  -0.64400  1.0 1.0
   48    50    54    55   0.26850 -1.0 2.0
   48    50   -54    60  -0.15000  1.0 1.0
   48    50   -54    60   0.89550 -1.0 2.0
   48    50   -54    60  -0.06900  1.0 3.0
   48    50    56    57   7.00000 -1.0 2.0
   48    50    56    58   7.00000 -1.0 2.0
   48    51    59    61   0.34400  1.0 1.0
   48    51    59    61   0.09450 -1.0 2.0
   48    51    59    61   0.11100  1.0 3.0
   48    51    59    44   0.56750  1.0 1.0
   48    51    59    44  -0.07550 -1.0 2.0
   48    51    59    44   0.20000  1.0 3.0
   48    51    59    62   0.86500  1.0 1.0
   48    51    59    62  -0.17500 -1.0 2.0
   48    51    59    62   0.20800  1.0 3.0
   49    48    50    54   0.15000  1.0 3.0
   49    48    50    56   0.00000  1.0 1.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    59   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    53   0.15000  1.0 3.0
   50    48    51    59   0.34400  1.0 1.0
   50    48    51    59   0.09450 -1.0 2.0
   50    48    51    59   0.11100  1.0 3.0
   50    54   -60    46   2.00000 -1.0 2.0
   54    50    56    57   7.00000 -1.0 2.0
   54    50    56    58   7.00000 -1.0 2.0
   55    54    60    46   3.00000 -1.0 2.0
   60    46    48    49   0.23400  1.0 3.0
   60    46   -48    50   0.61850  1.0 1.0
   60    46   -48    50  -0.22750 -1.0 2.0
   60    46   -48    50   0.15300  1.0 3.0
   60    46    48    51   0.62750  1.0 1.0
   60    46    48    51  -0.30950 -1.0 2.0
   60    46    48    51   0.27300  1.0 3.0
   56    50    54    55   1.00000 -1.0 2.0
   56    50    54    60  -0.56150  1.0 1.0
   56    50    54    60   2.19150 -1.0 2.0
   51    48    50    54   0.09700  1.0 1.0
   51    48    50    54   0.15600 -1.0 2.0
   51    48    50    54  -0.50800  1.0 3.0
   51    48    50    56   0.09850  1.0 1.0
   51    48    50    56   0.15250 -1.0 2.0
   51    48    50    56  -0.50650  1.0 3.0
   51    59    61    64   0.46850  1.0 1.0
   51    59    61    64   0.08550 -1.0 2.0
   51    59    61    64   0.09800  1.0 3.0
   51    59    61    66   0.09850  1.0 1.0
   51    59    61    66   0.15250 -1.0 2.0
   51    59    61    66  -0.50650  1.0 3.0
   51    59    44    39   0.56750  1.0 1.0
   51    59    44    39  -0.07550 -1.0 2.0
   51    59    44    39   0.20000  1.0 3.0
   51    59    44    69   0.56750  1.0 1.0
   51    59    44    69  -0.07550 -1.0 2.0
   51    59    44    69   0.20000  1.0 3.0
   51    59    44    45   0.15000  1.0 3.0
   51    59    62    63  -0.11600  1.0 1.0
   51    59    62    63  -0.09450 -1.0 2.0
   51    59    62    63   0.21250  1.0 3.0
   52    51    59    61   0.15000  1.0 3.0
   52    51    59    44   0.15000  1.0 3.0
   52    51    59    62   0.23400  1.0 3.0
   53    51    59    61   0.15000  1.0 3.0
   53    51    59    44   0.15000  1.0 3.0
   53    51    59    62   0.23400  1.0 3.0
   59    61    64    65   0.34800  1.0 3.0
   59    61   -64    69   0.46850  1.0 1.0
   59    61   -64    69   0.08550 -1.0 2.0
   59    61   -64    69   0.09800  1.0 3.0
   59    61    64    72   0.09700  1.0 1.0
   59    61    64    72   0.15600 -1.0 2.0
   59    61    64    72  -0.50800  1.0 3.0
   59    61    66    67   7.00000 -1.0 2.0
   59    61    66    68   7.00000 -1.0 2.0
   61    59    44    39   0.34400  1.0 1.0
   61    59    44    39   0.09450 -1.0 2.0
   61    59    44    39   0.11100  1.0 3.0
   61    59   -44    69   0.34400  1.0 1.0
   61    59   -44    69   0.09450 -1.0 2.0
   61    59   -44    69   0.11100  1.0 3.0
   61    59    44    45   0.15000  1.0 3.0
   61    59    62    63  -0.07800  1.0 1.0
   61    59    62    63  -0.21500 -1.0 2.0
   61    59    62    63  -0.03150  1.0 3.0
   61    64    69    70   0.15000  1.0 3.0
   61    64    69    71   0.15000  1.0 3.0
   61    64   -69    44   0.34400  1.0 1.0
   61    64   -69    44   0.09450 -1.0 2.0
   61    64   -69    44   0.11100  1.0 3.0
   61    64    72    73  -0.82050  1.0 1.0
   61    64    72    73   0.00600 -1.0 2.0
   61    64    72    73   0.04400  1.0 3.0
   64    61    66    67   7.00000 -1.0 2.0
   64    61    66    68   7.00000 -1.0 2.0
   64    69    44    39   0.56750  1.0 1.0
   64    69    44    39  -0.07550 -1.0 2.0
   64    69    44    39   0.20000  1.0 3.0
   64    69   -44    59   0.56750  1.0 1.0
   64    69   -44    59  -0.07550 -1.0 2.0
   64    69   -44    59   0.20000  1.0 3.0
   64    69    44    45   0.15000  1.0 3.0
   64    72    73    74   3.00000 -1.0 2.0
   64    72    73    75   1.63150  1.0 1.0
   64    72    73    75   2.92000 -1.0 2.0
   65    64    69    70   0.15000  1.0 3.0
   65    64    69    71   0.15000  1.0 3.0
   65    64    69    44   0.15000  1.0 3.0
   65    64    72    73   0.08050  1.0 3.0
   69    64    72    73  -0.25900  1.0 1.0
   69    64    72    73  -0.47000 -1.0 2.0
   69    64    72    73   0.11750  1.0 3.0
   70    69    44    39   0.15000  1.0 3.0
   70    69    44    59   0.15000  1.0 3.0
   70    69    44    45   0.15000  1.0 3.0
   71    69    44    39   0.15000  1.0 3.0
   71    69    44    59   0.15000  1.0 3.0
   71    69    44    45   0.15000  1.0 3.0
   44    39    41    42   0.15000  1.0 3.0
   44    39    41    43   0.15000  1.0 3.0
   44    39    41    46   0.56750  1.0 1.0
   44    39    41    46  -0.07550 -1.0 2.0
   44    39    41    46   0.20000  1.0 3.0
   44    59   -61    64   0.46850  1.0 1.0
   44    59   -61    64   0.08550 -1.0 2.0
   44    59   -61    64   0.09800  1.0 3.0
   44    59    61    66   0.09850  1.0 1.0
   44    59    61    66   0.15250 -1.0 2.0
   44    59    61    66  -0.50650  1.0 3.0
   44    59    62    63  -0.11600  1.0 1.0
   44    59    62    63  -0.09450 -1.0 2.0
   44    59    62    63   0.21250  1.0 3.0
   72    64    69    70   0.23400  1.0 3.0
   72    64    69    71   0.23400  1.0 3.0
   72    64    69    44   0.62750  1.0 1.0
   72    64    69    44  -0.30950 -1.0 2.0
   72    64    69    44   0.27300  1.0 3.0
   72    73    75    76   0.00000  1.0 1.0
   72    73    75    77   0.00000  1.0 1.0
   72    73    75    78   0.00000  1.0 1.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    77   0.00000  1.0 1.0
   74    73    75    78   0.00000  1.0 1.0
   66    61    64    65   0.00000  1.0 1.0
   66    61    64    69   0.09850  1.0 1.0
   66    61    64    69   0.15250 -1.0 2.0
   66    61    64    69  -0.50650  1.0 3.0
   66    61    64    72   0.39000  1.0 1.0
   66    61    64    72  -0.05800 -1.0 2.0
   66    61    64    72  -0.55150  1.0 3.0
   62    59    61    64   0.18000  1.0 1.0
   62    59    61    64   0.16450 -1.0 2.0
   62    59    61    64   0.04450  1.0 3.0
   62    59    61    66   0.67800  1.0 1.0
   62    59    61    66   0.47050 -1.0 2.0
   62    59    61    66  -0.62500  1.0 3.0
   62    59    44    39   0.86500  1.0 1.0
   62    59    44    39  -0.17500 -1.0 2.0
   62    59    44    39   0.20800  1.0 3.0
   62    59    44    69   0.86500  1.0 1.0
   62    59    44    69  -0.17500 -1.0 2.0
   62    59    44    69   0.20800  1.0 3.0
   62    59    44    45   0.23400  1.0 3.0
IPHI
    9     5     7     8  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
   38    30    36    37  10.50000 -1.0 2.0
   48    54    50    56   1.10000 -1.0 2.0
   50    60    54    55  10.50000 -1.0 2.0
   57    58    56    50   1.10000 -1.0 2.0
   59    64    61    66   1.10000 -1.0 2.0
   72    75    73    74  10.50000 -1.0 2.0
   67    68    66    61   1.10000 -1.0 2.0
END
