* LIGAND DATABASE FILE (OPLS2005)
*
001      82    82    145    204     413
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02127    46.61944   103.35967
    3     1 S   H    _H1_     3     1.02095    66.01002  -102.21902
    4     1 S   H    _H2_     4     1.02057   105.24765     1.84419
    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   _C8_    36     1.82167    98.14307  -178.15602
   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   _C9_    37     1.49575   110.00133  -159.97495
   38    33 S   OS   _O36    78     1.42101   111.24152   -38.82864
   39    37 S   CM   _C10    38     1.34097   122.69212  -103.46867
   40    37 S   OH   _O35    76     1.38404   116.88559    77.61761
   41    40 S   HO   _H7_    77     0.96057   109.61448    -1.07629
   42    38 S   CT   _C11    79     1.42153   111.55514   178.37707
   43    42 S   HC   _H8_    80     1.09227   109.53998  -180.00000
   44    42 S   HC   _H9_    81     1.09304   109.52348    59.18944
   45    42 S   HC   _H10    82     1.09284   108.97994   -60.35527
   46    39 S   CM   _C5_    39     1.46399   121.78535     1.97397
   47    39 S   OH   _O34    74     1.38089   122.22531  -178.92918
   48    47 S   HO   _H6_    75     0.96200   109.80943     0.81589
   49    46 S   CM   _C6_    40     1.35256   120.86934   -13.25381
   50    46 S   CT   _C4_    70     1.50960   115.45079   167.52032
   51    50 S   HC   _H3_    71     1.08448   109.00334   -90.74298
   52    50 S   HC   _H4_    72     1.08440   109.09199   149.04050
   53    50 S   HC   _H5_    73     1.08465   108.99081    29.34201
   54    33 S   CO4  _C7_    41     1.52686   107.74766    77.70603
   55    54 S   O    _O33    42     1.23334   120.96595   -81.48837
   56    49 S   CT   _C12    43     1.49259   126.45575  -175.14368
   57    56 S   HC   _H11    44     1.09601   108.66584    30.03362
   58    56 S   HC   _H12    45     1.09233   108.03350   145.73639
   59    56 S   CM   _C13    46     1.50196   111.91509   -89.53310
   60    59 S   HC   _H13    47     1.08992   114.23719    60.05844
   61    59 S   CM   _C14    48     1.34801   128.12007  -120.24726
   62    61 S   CT   _C15    49     1.50820   119.82596    -0.01978
   63    62 S   HC   _H14    50     1.09423   110.67250    90.00149
   64    62 S   HC   _H15    51     1.09487   110.29409   -30.09710
   65    62 S   HC   _H16    52     1.09537   112.34008  -149.95895
   66    61 S   CT   _C16    53     1.51381   125.01977   178.01791
   67    66 S   HC   _H17    54     1.09804   108.14093    29.97303
   68    66 S   HC   _H18    55     1.09545   111.55166   144.44939
   69    66 S   CT   _C17    56     1.53401   113.95696   -90.69197
   70    69 S   HC   _H19    57     1.09354   110.53533  -172.73369
   71    69 S   HC   _H20    58     1.09754   108.26033   -57.88034
   72    69 S   CM   _C18    59     1.50408   112.73622    60.49184
   73    72 S   HC   _H21    60     1.08914   113.94793   -85.03546
   74    72 S   CM   _C19    61     1.34733   128.13111    95.74044
   75    74 S   CT   _C20    62     1.50598   120.29913   179.03288
   76    75 S   HC   _H22    63     1.09573   112.42695    90.00242
   77    75 S   HC   _H23    64     1.09475   110.18699   -30.06459
   78    75 S   HC   _H24    65     1.09438   110.26436  -149.91455
   79    74 S   CT   _C21    66     1.50171   125.38545    -1.45118
   80    79 S   HC   _H25    67     1.09510   110.03750    89.97495
   81    79 S   HC   _H26    68     1.09183   113.67982  -149.97804
   82    79 S   HC   _H27    69     1.09490   110.04844   -29.30176
  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  12   9  12   4   1   4   2   1   1  13   3   1
  12   5   2   1   1   5   1   7   4   3  10   3  11   7   3   2
   1   8   5   4   7   4   3  10   3   8   7   3   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    54    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    49    54    55    40    38    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    46    49    54    55    56    47    40    41    38    42    43    44    45  
   35    36  
   36  
    0  
   39    46    49    54    55    50    47    48    40    41    38    42  
   42    43    44    45    39    40    49    54    55  
   46    49    54    56    50    51    52    53    47    48    40    41  
   41    46    47    54  
    0  
   43    44    45    54  
   44    45  
   45  
    0  
   49    54    55    56    57    58    59    50    51    52    53    47    48  
   48    49    50  
    0  
   54    55    56    57    58    59    60    61    50    51    52    53  
   51    52    53    54    56  
   52    53  
   53  
    0  
   55    56    57    58    59  
   56  
   57    58    59    60    61    62    66  
   58    59    60    61  
   59    60    61  
   60    61    62    63    64    65    66    67    68    69  
   61    62    66  
   62    63    64    65    66    67    68    69    70    71    72  
   63    64    65    66    67    68    69  
   64    65    66  
   65    66  
   66  
   67    68    69    70    71    72    73    74  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72    73    74    75    79  
   71    72    73    74  
   72    73    74  
   73    74    75    76    77    78    79    80    81    82  
   74    75    79  
   75    76    77    78    79    80    81    82  
   76    77    78    79    80    81    82  
   77    78    79  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    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  -0.020200   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   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   42   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   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   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   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    54   317.000  1.522
   33    38   320.000  1.410
   37    39   549.000  1.340
   37    40   510.000  1.338
   39    46   380.000  1.444
   39    47   510.000  1.338
   46    49   549.000  1.340
   46    50   317.000  1.510
   49    54   320.000  1.462
   49    56   317.000  1.510
   54    55   570.000  1.229
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   317.000  1.510
   59    60   340.000  1.080
   59    61   549.000  1.340
   61    62   317.000  1.510
   61    66   317.000  1.510
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   317.000  1.510
   72    73   340.000  1.080
   72    74   549.000  1.340
   74    75   317.000  1.510
   74    79   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   47    48   553.000  0.945
   40    41   553.000  0.945
   38    42   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    54    75.00000  110.18000
   29    33    38    85.00000  114.68000
   33    37    39    70.00000  124.00000
   33    37    40    90.00000  109.34000
   33    54    49    65.00000  118.62400
   33    54    55    80.00000  120.40000
   33    38    42    60.00000  109.50000
   37    39    46    70.00000  123.01800
   37    39    47    80.00000  121.38400
   37    40    41    70.00000  107.45700
   39    46    49    70.00000  123.01800
   39    46    50    70.00000  124.00000
   39    47    48    70.00000  107.45700
   46    49    54    65.00000  118.96000
   46    49    56    70.00000  124.00000
   46    50    51    35.00000  109.50000
   46    50    52    35.00000  109.50000
   46    50    53    35.00000  109.50000
   49    54    55    80.00000  123.72100
   49    56    57    35.00000  109.50000
   49    56    58    35.00000  109.50000
   49    56    59    70.00000  110.12100
   54    33    37    70.00000  109.06800
   56    49    54    65.00000  116.34900
   56    59    60    35.00000  117.00000
   56    59    61    70.00000  124.00000
   58    56    57    33.00000  107.80000
   59    56    57    35.00000  109.50000
   59    56    58    35.00000  109.50000
   59    61    62    70.00000  124.00000
   59    61    66    70.00000  124.00000
   61    59    60    35.00000  120.00000
   61    62    63    35.00000  109.50000
   61    62    64    35.00000  109.50000
   61    62    65    35.00000  109.50000
   61    66    67    35.00000  109.50000
   61    66    68    35.00000  109.50000
   61    66    69    70.00000  112.02700
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   66    61    62    65.00000  117.92700
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    70.00000  112.02700
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    72    73    35.00000  117.00000
   69    72    74    70.00000  124.00000
   71    69    70    33.00000  107.80000
   72    69    70    35.00000  109.50000
   72    69    71    35.00000  109.50000
   72    74    75    70.00000  124.00000
   72    74    79    70.00000  124.00000
   74    72    73    35.00000  120.00000
   74    75    76    35.00000  109.50000
   74    75    77    35.00000  109.50000
   74    75    78    35.00000  109.50000
   74    79    80    35.00000  109.50000
   74    79    81    35.00000  109.50000
   74    79    82    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    74    75    65.00000  117.92700
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   50    46    49    70.00000  124.00000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   47    39    46    80.00000  121.38400
   40    37    39    80.00000  121.38400
   38    33    37    85.00000  110.90400
   38    33    54    90.00000  108.74100
   38    42    43    35.00000  109.50000
   38    42    44    35.00000  109.50000
   38    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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    54    49   0.65300  1.0 1.0
   29    33    54    49  -0.03850 -1.0 2.0
   29    33    54    49   0.33900  1.0 3.0
   29    33    54    55   0.30150 -1.0 2.0
   29    33    38    42   0.14700  1.0 1.0
   29    33    38    42  -1.16150 -1.0 2.0
   29    33    38    42   0.48700  1.0 3.0
   33    37    39    46   7.00000 -1.0 2.0
   33    37    39    47   7.00000 -1.0 2.0
   33    37    40    41   2.00000 -1.0 2.0
   33    38    42    43   0.37050  1.0 3.0
   33    38    42    44   0.37050  1.0 3.0
   33    38    42    45   0.37050  1.0 3.0
   37    33    54    49   0.65300  1.0 1.0
   37    33    54    49  -0.03850 -1.0 2.0
   37    33    54    49   0.33900  1.0 3.0
   37    33    54    55   0.30150 -1.0 2.0
   37    33    38    42  -0.77900  1.0 1.0
   37    33    38    42  -0.36900 -1.0 2.0
   37    33    38    42   0.40400  1.0 3.0
   37    39   -46    49   0.28850  1.0 1.0
   37    39   -46    49   2.61350 -1.0 2.0
   37    39   -46    49   0.78400  1.0 3.0
   37    39    46    50  -0.18600  1.0 3.0
   37    39    47    48  -0.66100  1.0 1.0
   37    39    47    48   1.20850 -1.0 2.0
   37    39    47    48  -0.36000  1.0 3.0
   39    37    40    41  -0.66100  1.0 1.0
   39    37    40    41   1.20850 -1.0 2.0
   39    37    40    41  -0.36000  1.0 3.0
   39    46    49    54   7.00000 -1.0 2.0
   39    46    49    56   7.00000 -1.0 2.0
   39    46    50    51   0.00000  1.0 1.0
   39    46    50    52   0.00000  1.0 1.0
   39    46    50    53   0.00000  1.0 1.0
   46    39    47    48  -0.66100  1.0 1.0
   46    39    47    48   1.20850 -1.0 2.0
   46    39    47    48  -0.36000  1.0 3.0
   46    49   -54    33  -0.33500  1.0 1.0
   46    49   -54    33   1.06600 -1.0 2.0
   46    49   -54    33  -0.14000  1.0 3.0
   46    49    54    55   1.00000 -1.0 2.0
   46    49    56    57   0.00000  1.0 1.0
   46    49    56    58   0.00000  1.0 1.0
   46    49    56    59  -0.28300  1.0 1.0
   46    49    56    59   0.26700 -1.0 2.0
   46    49    56    59  -0.63300  1.0 3.0
   49    46    50    51   0.00000  1.0 1.0
   49    46    50    52   0.00000  1.0 1.0
   49    46    50    53   0.00000  1.0 1.0
   49    56    59    60   0.00000  1.0 1.0
   49    56    59    61  -0.28300  1.0 1.0
   49    56    59    61   0.26700 -1.0 2.0
   49    56    59    61  -0.63300  1.0 3.0
   54    33   -37    39  -0.51250  1.0 1.0
   54    33   -37    39  -0.88800 -1.0 2.0
   54    33   -37    39   0.08850  1.0 3.0
   54    33    37    40   0.09700  1.0 1.0
   54    33    37    40   0.15600 -1.0 2.0
   54    33    37    40  -0.50800  1.0 3.0
   54    33    38    42  -1.11000  1.0 1.0
   54    33    38    42   0.50250 -1.0 2.0
   54    33    38    42   0.47450  1.0 3.0
   54    49    56    57   0.15000  1.0 3.0
   54    49    56    58   0.15000  1.0 3.0
   54    49    56    59   0.09700  1.0 1.0
   54    49    56    59   0.15600 -1.0 2.0
   54    49    56    59  -0.50800  1.0 3.0
   56    49    54    33   0.25700  1.0 1.0
   56    49    54    33   0.66200 -1.0 2.0
   56    49    54    33   0.04450  1.0 3.0
   56    49    54    55  -0.64400  1.0 1.0
   56    49    54    55   0.26850 -1.0 2.0
   56    59    61    62   7.00000 -1.0 2.0
   56    59    61    66   7.00000 -1.0 2.0
   57    56    59    60   0.33100  1.0 3.0
   57    56    59    61   0.00000  1.0 1.0
   58    56    59    60   0.33100  1.0 3.0
   58    56    59    61   0.00000  1.0 1.0
   59    61    62    63   0.00000  1.0 1.0
   59    61    62    64   0.00000  1.0 1.0
   59    61    62    65   0.00000  1.0 1.0
   59    61    66    67   0.00000  1.0 1.0
   59    61    66    68   0.00000  1.0 1.0
   59    61    66    69   0.09850  1.0 1.0
   59    61    66    69   0.15250 -1.0 2.0
   59    61    66    69  -0.50650  1.0 3.0
   60    59    61    62   7.00000 -1.0 2.0
   60    59    61    66   7.00000 -1.0 2.0
   61    66    69    70   0.15000  1.0 3.0
   61    66    69    71   0.15000  1.0 3.0
   61    66    69    72   0.31000  1.0 1.0
   61    66    69    72   0.14700 -1.0 2.0
   61    66    69    72   0.07550  1.0 3.0
   62    61    66    67   0.34800  1.0 3.0
   62    61    66    68   0.34800  1.0 3.0
   62    61    66    69   0.46850  1.0 1.0
   62    61    66    69   0.08550 -1.0 2.0
   62    61    66    69   0.09800  1.0 3.0
   66    61    62    63   0.34800  1.0 3.0
   66    61    62    64   0.34800  1.0 3.0
   66    61    62    65   0.34800  1.0 3.0
   66    69    72    73   0.00000  1.0 1.0
   66    69    72    74   0.09850  1.0 1.0
   66    69    72    74   0.15250 -1.0 2.0
   66    69    72    74  -0.50650  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   68    66    69    72   0.15000  1.0 3.0
   69    72    74    75   7.00000 -1.0 2.0
   69    72    74    79   7.00000 -1.0 2.0
   70    69    72    73   0.33100  1.0 3.0
   70    69    72    74   0.00000  1.0 1.0
   71    69    72    73   0.33100  1.0 3.0
   71    69    72    74   0.00000  1.0 1.0
   72    74    75    76   0.00000  1.0 1.0
   72    74    75    77   0.00000  1.0 1.0
   72    74    75    78   0.00000  1.0 1.0
   72    74    79    80   0.00000  1.0 1.0
   72    74    79    81   0.00000  1.0 1.0
   72    74    79    82   0.00000  1.0 1.0
   73    72    74    75   7.00000 -1.0 2.0
   73    72    74    79   7.00000 -1.0 2.0
   75    74    79    80   0.34800  1.0 3.0
   75    74    79    81   0.34800  1.0 3.0
   75    74    79    82   0.34800  1.0 3.0
   79    74    75    76   0.34800  1.0 3.0
   79    74    75    77   0.34800  1.0 3.0
   79    74    75    78   0.34800  1.0 3.0
   50    46    49    54   7.00000 -1.0 2.0
   50    46    49    56   7.00000 -1.0 2.0
   47    39    46    49   0.50950  1.0 1.0
   47    39    46    49   0.56650 -1.0 2.0
   47    39    46    49   0.34050  1.0 3.0
   47    39    46    50   1.08500 -1.0 2.0
   40    37    39    46   7.00000 -1.0 2.0
   40    37    39    47   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    54    49   0.65300  1.0 1.0
   38    33    54    49  -0.03850 -1.0 2.0
   38    33    54    49   0.33900  1.0 3.0
   38    33    54    55   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
   46    47    39    37   1.10000 -1.0 2.0
   39    50    46    49   1.10000 -1.0 2.0
   54    56    49    46   1.10000 -1.0 2.0
   33    49    54    55  10.50000 -1.0 2.0
   56    60    59    61  15.00000 -1.0 2.0
   62    66    61    59  15.00000 -1.0 2.0
   69    73    72    74  15.00000 -1.0 2.0
   75    79    74    72  15.00000 -1.0 2.0
END
