* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    145    216     421
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02119    56.80690  -114.84110
    3     1 S   H    _H1_     3     1.02095   106.67833   -13.11443
    4     1 S   H    _H2_     4     1.02074    55.28665    88.40781
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08638   110.54412    58.84088
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C15    36     1.82300    98.11646  -178.17909
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C14    37     1.49193   110.17988  -160.00575
   38    33 S   OS   _O34    76     1.42110   111.12958   -38.70484
   39    37 S   CM   _C13    38     1.34031   122.51972  -103.72274
   40    37 S   OS   _O35    71     1.38314   116.99931    76.84116
   41    38 S   CT   _C17    77     1.42114   111.54911   178.19865
   42    41 S   HC   _H13    78     1.09268   109.52814   179.97202
   43    41 S   HC   _H14    79     1.09260   109.53113    59.17255
   44    41 S   HC   _H15    80     1.09302   109.01833   -60.41081
   45    39 S   CM   _C12    39     1.46227   122.04471     0.98873
   46    39 S   OH   _O36    69     1.38122   121.76954   179.91153
   47    46 S   HO   _H19    70     0.96228   109.69427     0.97378
   48    40 S   CT   _C18    72     1.40573   112.50156   -90.51764
   49    48 S   HC   _H16    73     1.09209   109.50450   180.00000
   50    48 S   HC   _H17    74     1.09263   109.49424    59.20817
   51    48 S   HC   _H18    75     1.09254   108.96719   -60.38345
   52    45 S   CM   _C11    40     1.35418   121.62722   -10.70502
   53    33 S   CO4  _C16    41     1.52853   107.21381    77.48636
   54    53 S   O    _O33    42     1.23290   120.12922   -80.96183
   55    52 S   CT   _C10    43     1.53565   124.07261   179.92338
   56    55 S   CT   _C9_    44     1.54989   112.45717     7.61839
   57    56 S   HC   _H11    45     1.09842   110.57932  -159.86687
   58    56 S   HC   _H12    46     1.09912   110.59631    83.60717
   59    55 S   CM   _C20    60     1.51232   111.93776   126.63893
   60    59 S   HC   _H23    61     1.08611   117.16341   -60.05225
   61    55 S   CT   _C19    65     1.54510   108.55409  -112.90867
   62    61 S   HC   _H20    66     1.08328   108.91409   179.95577
   63    61 S   HC   _H21    67     1.08332   108.89059    60.06233
   64    61 S   HC   _H22    68     1.08173   108.94883   -60.00453
   65    56 S   CT   _C8_    47     1.52384   112.15532   -37.84830
   66    65 S   HC   _H9_    48     1.09734   109.61050  -177.74432
   67    65 S   HC   _H10    49     1.09684   109.77750   -61.62552
   68    59 S   CM   _C21    62     1.33752   124.00355   120.03659
   69    68 S   HC   _H24    63     1.08471   120.41499   179.98022
   70    68 S   HC   _H25    64     1.08444   121.56587    -0.01978
   71    45 S   CT   _C7_    50     1.52428   116.69919   167.67749
   72    71 S   HC   _H3_    51     1.10110   108.96583   -41.71258
   73    71 S   CM   _C5_    52     1.50600   111.63192    76.68620
   74    73 S   CM   _C6_    53     1.34143   121.90039    30.65190
   75    74 S   HC   _H7_    54     1.08458   121.32188   180.00000
   76    74 S   HC   _H8_    55     1.08443   121.36204     0.00000
   77    73 S   CT   _C4_    56     1.50039   116.18175  -149.34697
   78    77 S   HC   _H4_    57     1.09509   110.27273   -89.99595
   79    77 S   HC   _H5_    58     1.09509   110.28215    29.84832
   80    77 S   HC   _H6_    59     1.09539   112.09515   149.93070
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  15   2   1   1  15   9  12   7   4   2   1   1  17   3   1   3
   2   1   1  17   6   1  16  15   7   6   9   4   5   2   1   1
   7   4   3   2   1   1   9   3   7   6   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    52    53    54    40    38    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    45    52    53    54    55    46    40    48    38    41    42    43    44  
   35    36  
   36  
    0  
   39    45    52    53    54    71    46    47    40    48    49    50    51    38    41  
   41    42    43    44    39    40    52    53    54  
   45    52    53    55    65    71    72    73    46    47    40    48  
   48    49    50    51    45    46    53  
   42    43    44    53  
   43    44  
   44  
    0  
   52    53    54    55    56    65    66    67    71    72    73    74    77    59    61    46    47  
   47    52    71  
    0  
   49    50    51  
   50    51  
   51  
    0  
   53    54    55    56    57    58    65    71    72    73    59    60    68    61    62    63    64  
   54    55    56    71    59    61  
   55  
   56    57    58    65    66    67    71    59    60    68    69    70    61    62    63    64  
   57    58    65    66    67    71    72    73    59    60    68    61    62    63    64  
   58    65    66    67    71    59    61  
   65    66    67    71    59    61  
   60    68    69    70    61    62    63    64    65  
   68    69    70    61  
   62    63    64    65    68  
   63    64  
   64  
    0  
   66    67    71    72    73    74    77  
   67    71    72    73  
   71    72    73  
   69    70  
   70  
    0  
   72    73    74    75    76    77    78    79    80  
   73    74    77  
   74    75    76    77    78    79    80  
   75    76    77    78    79    80  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    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  -0.316400   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   0.465900   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   3.5500   0.0760   0.016000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   39   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   40   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   41   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   80   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  1.510
   33    53   317.000  1.522
   33    38   320.000  1.410
   37    39   549.000  1.340
   37    40   440.000  1.360
   39    45   380.000  1.444
   39    46   510.000  1.338
   45    52   549.000  1.340
   45    71   317.000  1.510
   52    53   320.000  1.462
   52    55   317.000  1.510
   53    54   570.000  1.229
   55    56   268.000  1.529
   55    59   317.000  1.510
   55    61   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    71   268.000  1.529
   71    72   340.000  1.090
   71    73   317.000  1.510
   73    74   549.000  1.340
   73    77   317.000  1.510
   74    75   340.000  1.080
   74    76   340.000  1.080
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   59    60   340.000  1.080
   59    68   549.000  1.340
   68    69   340.000  1.080
   68    70   340.000  1.080
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   46    47   553.000  0.945
   40    48   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   38    41   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   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  112.20000
   29    33    53    75.00000  110.18000
   29    33    38    85.00000  114.68000
   33    37    39    70.00000  124.00000
   33    37    40    85.00000  112.85300
   33    53    52    65.00000  118.62400
   33    53    54    80.00000  120.40000
   33    38    41    60.00000  109.50000
   37    39    45    70.00000  123.01800
   37    39    46    80.00000  121.38400
   37    40    48    90.00000  111.18400
   39    45    52    70.00000  123.01800
   39    45    71    70.00000  124.00000
   39    46    47    70.00000  107.45700
   45    52    53    65.00000  118.96000
   45    52    55    70.00000  124.00000
   45    71    65    70.00000  112.02700
   45    71    72    35.00000  109.50000
   45    71    73    70.00000  110.12100
   52    53    54    80.00000  123.72100
   52    55    56    70.00000  112.02700
   52    55    59    70.00000  110.12100
   52    55    61    70.00000  112.02700
   53    33    37    70.00000  109.06800
   55    52    53    65.00000  116.34900
   55    56    57    37.50000  110.70000
   55    56    58    37.50000  110.70000
   55    56    65    58.35000  112.70000
   55    59    60    35.00000  117.00000
   55    59    68    70.00000  124.00000
   55    61    62    37.50000  110.70000
   55    61    63    37.50000  110.70000
   55    61    64    37.50000  110.70000
   56    65    66    37.50000  110.70000
   56    65    67    37.50000  110.70000
   56    65    71    58.35000  112.70000
   58    56    57    33.00000  107.80000
   65    56    57    37.50000  110.70000
   65    56    58    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    73    70.00000  112.02700
   67    65    66    33.00000  107.80000
   71    45    52    70.00000  124.00000
   71    65    66    37.50000  110.70000
   71    65    67    37.50000  110.70000
   71    73    74    70.00000  124.00000
   71    73    77    65.00000  117.92700
   73    71    72    35.00000  109.50000
   73    74    75    35.00000  120.00000
   73    74    76    35.00000  120.00000
   73    77    78    35.00000  109.50000
   73    77    79    35.00000  109.50000
   73    77    80    35.00000  109.50000
   76    74    75    35.00000  117.00000
   77    73    74    70.00000  124.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   59    55    56    70.00000  112.02700
   59    68    69    35.00000  120.00000
   59    68    70    35.00000  120.00000
   68    59    60    35.00000  120.00000
   70    68    69    35.00000  117.00000
   61    55    56    58.35000  112.70000
   61    55    59    70.00000  112.02700
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   46    39    45    80.00000  121.38400
   40    37    39    80.00000  120.01400
   40    48    49    35.00000  109.50000
   40    48    50    35.00000  109.50000
   40    48    51    35.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   38    33    37    85.00000  110.90400
   38    33    53    90.00000  108.74100
   38    41    42    35.00000  109.50000
   38    41    43    35.00000  109.50000
   38    41    44    35.00000  109.50000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  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    39   0.42700  1.0 1.0
   29    33    37    39  -0.70350 -1.0 2.0
   29    33    37    39  -0.43150  1.0 3.0
   29    33    37    40   0.09700  1.0 1.0
   29    33    37    40   0.15600 -1.0 2.0
   29    33    37    40  -0.50800  1.0 3.0
   29    33    53    52   0.65300  1.0 1.0
   29    33    53    52  -0.03850 -1.0 2.0
   29    33    53    52   0.33900  1.0 3.0
   29    33    53    54   0.30150 -1.0 2.0
   29    33    38    41   0.14700  1.0 1.0
   29    33    38    41  -1.16150 -1.0 2.0
   29    33    38    41   0.48700  1.0 3.0
   33    37    39    45   7.00000 -1.0 2.0
   33    37    39    46   7.00000 -1.0 2.0
   33    37    40    48   2.00000 -1.0 2.0
   33    38    41    42   0.37050  1.0 3.0
   33    38    41    43   0.37050  1.0 3.0
   33    38    41    44   0.37050  1.0 3.0
   37    33    53    52   0.65300  1.0 1.0
   37    33    53    52  -0.03850 -1.0 2.0
   37    33    53    52   0.33900  1.0 3.0
   37    33    53    54   0.30150 -1.0 2.0
   37    33    38    41  -0.77900  1.0 1.0
   37    33    38    41  -0.36900 -1.0 2.0
   37    33    38    41   0.40400  1.0 3.0
   37    39   -45    52   0.28850  1.0 1.0
   37    39   -45    52   2.61350 -1.0 2.0
   37    39   -45    52   0.78400  1.0 3.0
   37    39    45    71  -0.18600  1.0 3.0
   37    39    46    47  -0.66100  1.0 1.0
   37    39    46    47   1.20850 -1.0 2.0
   37    39    46    47  -0.36000  1.0 3.0
   37    40    48    49   0.08050  1.0 3.0
   37    40    48    50   0.08050  1.0 3.0
   37    40    48    51   0.08050  1.0 3.0
   39    37    40    48  -2.26850  1.0 1.0
   39    37    40    48   3.39050 -1.0 2.0
   39    45    52    53   7.00000 -1.0 2.0
   39    45    52    55   7.00000 -1.0 2.0
   39    45    71    65   0.98200  1.0 1.0
   39    45    71    65  -0.11900 -1.0 2.0
   39    45    71    65   0.24250  1.0 3.0
   39    45    71    72   0.00000  1.0 1.0
   39    45    71    73  -0.28300  1.0 1.0
   39    45    71    73   0.26700 -1.0 2.0
   39    45    71    73  -0.63300  1.0 3.0
   45    39    46    47  -0.66100  1.0 1.0
   45    39    46    47   1.20850 -1.0 2.0
   45    39    46    47  -0.36000  1.0 3.0
   45    52   -53    33  -0.33500  1.0 1.0
   45    52   -53    33   1.06600 -1.0 2.0
   45    52   -53    33  -0.14000  1.0 3.0
   45    52    53    54   1.00000 -1.0 2.0
   45    52    55    56   0.09850  1.0 1.0
   45    52    55    56   0.15250 -1.0 2.0
   45    52    55    56  -0.50650  1.0 3.0
   45    52    55    59  -0.28300  1.0 1.0
   45    52    55    59   0.26700 -1.0 2.0
   45    52    55    59  -0.63300  1.0 3.0
   45    52    55    61   0.09850  1.0 1.0
   45    52    55    61   0.15250 -1.0 2.0
   45    52    55    61  -0.50650  1.0 3.0
   45    71    73    74  -0.28300  1.0 1.0
   45    71    73    74   0.26700 -1.0 2.0
   45    71    73    74  -0.63300  1.0 3.0
   45    71    73    77   0.09700  1.0 1.0
   45    71    73    77   0.15600 -1.0 2.0
   45    71    73    77  -0.50800  1.0 3.0
   52    45    71    65   0.09850  1.0 1.0
   52    45    71    65   0.15250 -1.0 2.0
   52    45    71    65  -0.50650  1.0 3.0
   52    45    71    72   0.00000  1.0 1.0
   52    45    71    73  -0.28300  1.0 1.0
   52    45    71    73   0.26700 -1.0 2.0
   52    45    71    73  -0.63300  1.0 3.0
   52    55    56    57   0.15000  1.0 3.0
   52    55    56    58   0.15000  1.0 3.0
   52    55   -56    65   0.34400  1.0 1.0
   52    55   -56    65   0.09450 -1.0 2.0
   52    55   -56    65   0.11100  1.0 3.0
   52    55    59    60   0.00000  1.0 1.0
   52    55    59    68  -0.28300  1.0 1.0
   52    55    59    68   0.26700 -1.0 2.0
   52    55    59    68  -0.63300  1.0 3.0
   52    55    61    62   0.15000  1.0 3.0
   52    55    61    63   0.15000  1.0 3.0
   52    55    61    64   0.15000  1.0 3.0
   53    33   -37    39  -0.51250  1.0 1.0
   53    33   -37    39  -0.88800 -1.0 2.0
   53    33   -37    39   0.08850  1.0 3.0
   53    33    37    40   0.09700  1.0 1.0
   53    33    37    40   0.15600 -1.0 2.0
   53    33    37    40  -0.50800  1.0 3.0
   53    33    38    41  -1.11000  1.0 1.0
   53    33    38    41   0.50250 -1.0 2.0
   53    33    38    41   0.47450  1.0 3.0
   53    52    55    56   0.09700  1.0 1.0
   53    52    55    56   0.15600 -1.0 2.0
   53    52    55    56  -0.50800  1.0 3.0
   53    52    55    59   0.09700  1.0 1.0
   53    52    55    59   0.15600 -1.0 2.0
   53    52    55    59  -0.50800  1.0 3.0
   53    52    55    61   0.09700  1.0 1.0
   53    52    55    61   0.15600 -1.0 2.0
   53    52    55    61  -0.50800  1.0 3.0
   55    52    53    33   0.25700  1.0 1.0
   55    52    53    33   0.66200 -1.0 2.0
   55    52    53    33   0.04450  1.0 3.0
   55    52    53    54  -0.64400  1.0 1.0
   55    52    53    54   0.26850 -1.0 2.0
   55    56    65    66   0.15000  1.0 3.0
   55    56    65    67   0.15000  1.0 3.0
   55    56    65    71   0.56750  1.0 1.0
   55    56    65    71  -0.07550 -1.0 2.0
   55    56    65    71   0.20000  1.0 3.0
   55    59    68    69   7.00000 -1.0 2.0
   55    59    68    70   7.00000 -1.0 2.0
   56    55    59    60   0.00000  1.0 1.0
   56    55    59    68   0.09850  1.0 1.0
   56    55    59    68   0.15250 -1.0 2.0
   56    55    59    68  -0.50650  1.0 3.0
   56    55    61    62   0.15000  1.0 3.0
   56    55    61    63   0.15000  1.0 3.0
   56    55    61    64   0.15000  1.0 3.0
   56    65   -71    45   0.34400  1.0 1.0
   56    65   -71    45   0.09450 -1.0 2.0
   56    65   -71    45   0.11100  1.0 3.0
   56    65    71    72   0.15000  1.0 3.0
   56    65    71    73   0.34400  1.0 1.0
   56    65    71    73   0.09450 -1.0 2.0
   56    65    71    73   0.11100  1.0 3.0
   57    56    65    66   0.15000  1.0 3.0
   57    56    65    67   0.15000  1.0 3.0
   57    56    65    71   0.15000  1.0 3.0
   58    56    65    66   0.15000  1.0 3.0
   58    56    65    67   0.15000  1.0 3.0
   58    56    65    71   0.15000  1.0 3.0
   65    71    73    74   0.09850  1.0 1.0
   65    71    73    74   0.15250 -1.0 2.0
   65    71    73    74  -0.50650  1.0 3.0
   65    71    73    77   0.46850  1.0 1.0
   65    71    73    77   0.08550 -1.0 2.0
   65    71    73    77   0.09800  1.0 3.0
   66    65    71    45   0.15000  1.0 3.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    73   0.15000  1.0 3.0
   67    65    71    45   0.15000  1.0 3.0
   67    65    71    72   0.15000  1.0 3.0
   67    65    71    73   0.15000  1.0 3.0
   71    45    52    53   7.00000 -1.0 2.0
   71    45   -52    55   7.00000 -1.0 2.0
   71    73    74    75   7.00000 -1.0 2.0
   71    73    74    76   7.00000 -1.0 2.0
   71    73    77    78   0.34800  1.0 3.0
   71    73    77    79   0.34800  1.0 3.0
   71    73    77    80   0.34800  1.0 3.0
   72    71    73    74   0.00000  1.0 1.0
   72    71    73    77   0.34800  1.0 3.0
   74    73    77    78   0.00000  1.0 1.0
   74    73    77    79   0.00000  1.0 1.0
   74    73    77    80   0.00000  1.0 1.0
   77    73    74    75   7.00000 -1.0 2.0
   77    73    74    76   7.00000 -1.0 2.0
   59    55    56    57   0.15000  1.0 3.0
   59    55    56    58   0.15000  1.0 3.0
   59    55    56    65   0.34400  1.0 1.0
   59    55    56    65   0.09450 -1.0 2.0
   59    55    56    65   0.11100  1.0 3.0
   59    55    61    62   0.15000  1.0 3.0
   59    55    61    63   0.15000  1.0 3.0
   59    55    61    64   0.15000  1.0 3.0
   60    59    68    69   7.00000 -1.0 2.0
   60    59    68    70   7.00000 -1.0 2.0
   61    55    56    57   0.15000  1.0 3.0
   61    55    56    58   0.15000  1.0 3.0
   61    55    56    65   0.56750  1.0 1.0
   61    55    56    65  -0.07550 -1.0 2.0
   61    55    56    65   0.20000  1.0 3.0
   61    55    59    60   0.00000  1.0 1.0
   61    55    59    68   0.09850  1.0 1.0
   61    55    59    68   0.15250 -1.0 2.0
   61    55    59    68  -0.50650  1.0 3.0
   46    39    45    52   0.50950  1.0 1.0
   46    39    45    52   0.56650 -1.0 2.0
   46    39    45    52   0.34050  1.0 3.0
   46    39    45    71   1.08500 -1.0 2.0
   40    37    39    45   7.00000 -1.0 2.0
   40    37    39    46   7.00000 -1.0 2.0
   38    33    37    39   0.39000  1.0 1.0
   38    33    37    39  -0.05800 -1.0 2.0
   38    33    37    39  -0.55150  1.0 3.0
   38    33    37    40   0.09700  1.0 1.0
   38    33    37    40   0.15600 -1.0 2.0
   38    33    37    40  -0.50800  1.0 3.0
   38    33    53    52   0.65300  1.0 1.0
   38    33    53    52  -0.03850 -1.0 2.0
   38    33    53    52   0.33900  1.0 3.0
   38    33    53    54   0.30150 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    39   1.10000 -1.0 2.0
   45    46    39    37   1.10000 -1.0 2.0
   39    71    45    52   1.10000 -1.0 2.0
   53    55    52    45   1.10000 -1.0 2.0
   33    52    53    54  10.50000 -1.0 2.0
   71    77    73    74  15.00000 -1.0 2.0
   75    76    74    73  15.00000 -1.0 2.0
   55    60    59    68  15.00000 -1.0 2.0
   69    70    68    59  15.00000 -1.0 2.0
END
