* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    148    241     442
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02119    98.42854    24.34472
    3     1 S   H    _H1_     3     1.02145    35.88937   134.71974
    4     1 S   H    _H2_     4     1.02113    80.37676   -83.29514
    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     1.08491   110.62044    58.69465
   26    24 S   HC   HB22    34     1.08519   110.01707   179.18699
   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   _C14    36     1.88408    96.51598   161.85100
   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   _C15    37     1.52189   104.08034    40.00168
   38    37 S   HC   _H18    38     1.08974   117.92816    53.58643
   39    33 S   CT   _C7_    69     1.60595   111.76054   162.04435
   40    37 S   CM   _C16    39     1.34260   124.35780  -126.84769
   41    40 S   OS   _O34    40     1.37657   124.15739    -0.95039
   42    40 S   OH   _O35    75     1.38169   118.98285   178.17222
   43    42 S   HO   _H21    76     0.96231   109.76098     0.08156
   44    41 S   CT   _C17    41     1.42928   115.67925   -12.51678
   45    44 S   HC   _H19    42     1.09422   107.34080   -79.31047
   46    44 S   HC   _H20    43     1.09510   108.56016   166.30444
   47    33 S   CT   _C13    44     1.55938   105.35546   -72.53732
   48    47 S   HC   _H5_    45     1.12802   108.64418    38.52006
   49    47 S   CT   _C12    46     1.53473   115.31901   -78.21246
   50    49 S   HC   _H16    47     1.10299   110.93700  -131.99654
   51    49 S   HC   _H17    48     1.10342   109.01639   113.85458
   52    49 S   CT   _C11    49     1.51560   115.15652    -7.78389
   53    52 S   HC   _H14    50     1.10185   110.74054    76.19587
   54    52 S   HC   _H15    51     1.09921   111.59244  -164.96350
   55    52 S   NP   _N4_    52     1.48746   111.37703   -42.37187
   56    55 S   H    _H4_    53     1.03424   105.16986   177.38865
   57    55 S   CT   _C10    54     1.52872   115.12752   -66.99833
   58    57 S   HC   _H12    55     1.09626   109.32699    24.68775
   59    57 S   HC   _H13    56     1.09549   106.82138   -94.70444
   60    57 S   CM   _C9_    57     1.48774   106.23998   144.90132
   61    60 S   HC   _H11    58     1.08067   123.48763   166.26846
   62    60 S   CM   _C8_    59     1.33727   110.72506    -6.47987
   63    62 S   CM   _C18    60     1.43970   125.42260   165.60753
   64    63 S   HC   _H22    61     1.08257   119.09370    27.61567
   65    63 S   CM   _C19    62     1.34245   120.22717  -148.64359
   66    65 S   HC   _H23    63     1.08286   119.22259  -179.77971
   67    65 S   CT   _C5_    64     1.50812   122.84678     1.14004
   68    67 S   HC   _H3_    65     1.08742   109.05783  -112.15163
   69    67 S   CT   _C6_    66     1.54377   112.82787    11.71718
   70    69 S   HC   _H9_    67     1.09349   107.47657    78.02198
   71    69 S   HC   _H10    68     1.08719   108.75178  -168.36365
   72    67 S   OS   _O33    70     1.42682   108.31458   132.13131
   73    72 S   CT   _C4_    71     1.41837   111.21665   160.00566
   74    73 S   HC   _H6_    72     1.09298   109.44808  -179.96044
   75    73 S   HC   _H7_    73     1.09187   109.53963    59.23830
   76    73 S   HC   _H8_    74     1.09236   108.98543   -60.40242
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  25   2   1   1  13   5  25   7   8   2   1   8   4   3  10   4
   8   5   4  10   4   3  12   6   7   4   3   6   2   8   7   3
   8   4   9   5   4   2   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    47    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    44    47    48    49    55    62    69    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    44    45    46    47    48    49    50    51    52    55    56    57    60    62    63    67    69    70    71    39    42  
   35    36  
   36  
    0  
   38    40    41    44    47    48    49    55    62    69    39    42    43  
   40    41    47    39    42  
   72    40    44    47    48    49    52    53    54    55    56    57    58    59    60    61    62    63    64    65    67    68    69    70    71  
   41    44    45    46    47    42    43  
   44    45    46    47    48    49    42    43  
   43    44  
    0  
   45    46    47    48    49    50    51    52  
   46    47    48    49  
   47    48    49  
   48    49    50    51    52    53    54    55    62    69  
   49    50    51    52  
   50    51    52    53    54    55    56    57  
   51    52    53    54    55  
   52    53    54    55  
   53    54    55    56    57    58    59    60    62    69  
   54    55    56    57  
   55    56    57  
   56    57    58    59    60    61    62    63    67    69    70    71  
   57    58    59    60    62    69  
   58    59    60    61    62    63    69  
   59    60    61    62  
   60    61    62  
   61    62    63    64    65    69  
   62    63  
   63    64    65    66    67    69    70    71  
   64    65    66    67    68    69    72  
   65    66    67  
   66    67    68    69    70    71    72    73  
   67    68    69    72  
   68    69    70    71    72    73    74    75    76  
   69    70    71    72    73  
   70    71    72    73  
   71    72  
   72  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.270000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   56   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.6450   1.4500   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   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   73   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   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    47   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    40   549.000  1.340
   40    41   440.000  1.360
   40    42   510.000  1.338
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   367.000  1.471
   55    56   434.000  1.010
   55    57   367.000  1.471
   55    39   367.000  1.471
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   317.000  1.510
   60    61   340.000  1.080
   60    62   549.000  1.340
   62    63   380.000  1.444
   62    39   317.000  1.510
   63    64   340.000  1.080
   63    65   549.000  1.340
   65    66   340.000  1.080
   65    67   317.000  1.510
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    72   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    39   268.000  1.529
   72    73   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   42    43   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    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    47    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    47    44    58.35000  112.70000
   33    47    48    37.50000  110.70000
   33    47    49    58.35000  112.70000
   33    39    55    80.00000  111.20000
   33    39    62    70.00000  112.02700
   33    39    69    58.35000  112.70000
   37    40    41    80.00000  120.01400
   37    40    42    80.00000  121.38400
   40    37    38    35.00000  120.00000
   40    41    44    90.00000  111.18400
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    46    35.00000  109.50000
   41    44    47    50.00000  109.50000
   44    47    48    37.50000  110.70000
   44    47    49    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    33    37    70.00000  112.02700
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    52    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    80.00000  111.20000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    55    56    35.00000  109.50000
   52    55    57    75.00000  113.01200
   52    55    39    75.00000  113.01200
   54    52    53    33.00000  107.80000
   55    52    53    35.00000  109.50000
   55    52    54    35.00000  109.50000
   55    57    58    35.00000  109.50000
   55    57    59    35.00000  109.50000
   55    57    60    75.00000  110.06800
   55    39    62    75.00000  110.06800
   55    39    69    80.00000  111.20000
   57    55    56    35.00000  109.50000
   57    60    61    35.00000  117.00000
   57    60    62    70.00000  124.00000
   59    57    58    33.00000  107.80000
   60    57    58    35.00000  109.50000
   60    57    59    35.00000  109.50000
   60    62    63    70.00000  123.01800
   60    62    39    70.00000  124.00000
   62    60    61    35.00000  120.00000
   62    63    64    35.00000  120.00000
   62    63    65    70.00000  123.01800
   62    39    69    70.00000  112.02700
   63    65    66    35.00000  120.00000
   63    65    67    70.00000  124.00000
   65    63    64    35.00000  120.00000
   65    67    68    35.00000  109.50000
   65    67    69    70.00000  112.02700
   65    67    72    85.00000  110.90400
   67    65    66    35.00000  117.00000
   67    69    70    37.50000  110.70000
   67    69    71    37.50000  110.70000
   67    69    39    58.35000  112.70000
   67    72    73    60.00000  109.50000
   69    67    68    37.50000  110.70000
   71    69    70    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    47    58.35000  112.70000
   39    55    56    35.00000  109.50000
   39    55    57    75.00000  113.01200
   39    62    63    70.00000  124.00000
   39    69    70    37.50000  110.70000
   39    69    71    37.50000  110.70000
   72    67    68    35.00000  109.50000
   72    67    69    50.00000  109.50000
   72    73    74    35.00000  109.50000
   72    73    75    35.00000  109.50000
   72    73    76    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   42    40    41   115.00000  116.36000
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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    47    44   0.44750  1.0 1.0
   29    33    47    44  -0.17800 -1.0 2.0
   29    33    47    44   0.20200  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    49   0.44750  1.0 1.0
   29    33    47    49  -0.17800 -1.0 2.0
   29    33    47    49   0.20200  1.0 3.0
   29    33    39    55   0.56750  1.0 1.0
   29    33    39    55  -0.07550 -1.0 2.0
   29    33    39    55   0.20000  1.0 3.0
   29    33    39    62   0.56750  1.0 1.0
   29    33    39    62  -0.07550 -1.0 2.0
   29    33    39    62   0.20000  1.0 3.0
   29    33    39    69   0.44750  1.0 1.0
   29    33    39    69  -0.17800 -1.0 2.0
   29    33    39    69   0.20200  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    42   7.00000 -1.0 2.0
   33    47    49    50   0.15000  1.0 3.0
   33    47    49    51   0.15000  1.0 3.0
   33    47    49    52   0.56750  1.0 1.0
   33    47    49    52  -0.07550 -1.0 2.0
   33    47    49    52   0.20000  1.0 3.0
   37    33    47    44   0.34400  1.0 1.0
   37    33    47    44   0.09450 -1.0 2.0
   37    33    47    44   0.11100  1.0 3.0
   37    33    47    48   0.15000  1.0 3.0
   37    33    47    49   0.34400  1.0 1.0
   37    33    47    49   0.09450 -1.0 2.0
   37    33    47    49   0.11100  1.0 3.0
   37    33    39    55  -0.47300  1.0 1.0
   37    33    39    55   0.29700 -1.0 2.0
   37    33    39    55   0.83300  1.0 3.0
   37    33    39    62   0.31000  1.0 1.0
   37    33    39    62   0.14700 -1.0 2.0
   37    33    39    62   0.07550  1.0 3.0
   37    33    39    69   0.34400  1.0 1.0
   37    33    39    69   0.09450 -1.0 2.0
   37    33    39    69   0.11100  1.0 3.0
   37    40   -41    44  -2.26850  1.0 1.0
   37    40   -41    44   3.39050 -1.0 2.0
   37    40    42    43  -0.66100  1.0 1.0
   37    40    42    43   1.20850 -1.0 2.0
   37    40    42    43  -0.36000  1.0 3.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    42   7.00000 -1.0 2.0
   40    41    44    45   0.08050  1.0 3.0
   40    41    44    46   0.08050  1.0 3.0
   40    41    44    47  -0.46850  1.0 1.0
   40    41    44    47   0.09300 -1.0 2.0
   40    41    44    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   41    44   -47    33   0.62750  1.0 1.0
   41    44   -47    33  -0.30950 -1.0 2.0
   41    44   -47    33   0.27300  1.0 3.0
   41    44    47    48   0.23400  1.0 3.0
   41    44    47    49   0.62750  1.0 1.0
   41    44    47    49  -0.30950 -1.0 2.0
   41    44    47    49   0.27300  1.0 3.0
   44    47    49    50   0.15000  1.0 3.0
   44    47    49    51   0.15000  1.0 3.0
   44    47    49    52   0.56750  1.0 1.0
   44    47    49    52  -0.07550 -1.0 2.0
   44    47    49    52   0.20000  1.0 3.0
   45    44    47    33   0.15000  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   46    44    47    33   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49   0.15000  1.0 3.0
   47    33    37    38   0.00000  1.0 1.0
   47    33   -37    40   0.09850  1.0 1.0
   47    33   -37    40   0.15250 -1.0 2.0
   47    33   -37    40  -0.50650  1.0 3.0
   47    33    39    55   1.36600  1.0 1.0
   47    33    39    55  -0.11450 -1.0 2.0
   47    33    39    55   0.24250  1.0 3.0
   47    33    39    62   0.34400  1.0 1.0
   47    33    39    62   0.09450 -1.0 2.0
   47    33    39    62   0.11100  1.0 3.0
   47    33    39    69   0.56750  1.0 1.0
   47    33    39    69  -0.07550 -1.0 2.0
   47    33    39    69   0.20000  1.0 3.0
   47    49    52    53   0.15000  1.0 3.0
   47    49    52    54   0.15000  1.0 3.0
   47    49   -52    55   1.36600  1.0 1.0
   47    49   -52    55  -0.11450 -1.0 2.0
   47    49   -52    55   0.24250  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    52   0.15000  1.0 3.0
   49    52    55    56   0.17350  1.0 3.0
   49    52    55    57   0.47100  1.0 1.0
   49    52    55    39   0.47100  1.0 1.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    55   0.19200  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    55   0.19200  1.0 3.0
   52    55    57    58   0.15000  1.0 3.0
   52    55    57    59   0.15000  1.0 3.0
   52    55    57    60   0.08000 -1.0 2.0
   52    55   -39    33   0.47100  1.0 1.0
   52    55    39    62   0.08000 -1.0 2.0
   52    55    39    69   0.47100  1.0 1.0
   53    52    55    56   0.13050  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    39   0.15000  1.0 3.0
   54    52    55    56   0.13050  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    39   0.15000  1.0 3.0
   55    57    60    61   0.00000  1.0 1.0
   55    57   -60    62   0.80850  1.0 1.0
   55    57   -60    62  -0.47300 -1.0 2.0
   55    57   -60    62  -0.52300  1.0 3.0
   56    55    57    58   0.13050  1.0 3.0
   56    55    57    59   0.13050  1.0 3.0
   56    55    57    60   0.17350  1.0 3.0
   56    55    39    33   0.17350  1.0 3.0
   56    55    39    62   0.17350  1.0 3.0
   56    55    39    69   0.17350  1.0 3.0
   57    55    39    33   0.47100  1.0 1.0
   57    55   -39    62   0.08000 -1.0 2.0
   57    55    39    69   0.47100  1.0 1.0
   57    60    62    63   7.00000 -1.0 2.0
   57    60   -62    39   7.00000 -1.0 2.0
   58    57    60    61   0.33100  1.0 3.0
   58    57    60    62   0.00000  1.0 1.0
   59    57    60    61   0.33100  1.0 3.0
   59    57    60    62   0.00000  1.0 1.0
   60    62    63    64  -0.18600  1.0 3.0
   60    62    63    65   0.28850  1.0 1.0
   60    62    63    65   2.61350 -1.0 2.0
   60    62    63    65   0.78400  1.0 3.0
   60    62    39    33   0.09850  1.0 1.0
   60    62    39    33   0.15250 -1.0 2.0
   60    62    39    33  -0.50650  1.0 3.0
   60    62   -39    55   0.80850  1.0 1.0
   60    62   -39    55  -0.47300 -1.0 2.0
   60    62   -39    55  -0.52300  1.0 3.0
   60    62    39    69   0.09850  1.0 1.0
   60    62    39    69   0.15250 -1.0 2.0
   60    62    39    69  -0.50650  1.0 3.0
   61    60    62    63   7.00000 -1.0 2.0
   61    60    62    39   7.00000 -1.0 2.0
   62    63    65    66   7.00000 -1.0 2.0
   62    63    65    67   7.00000 -1.0 2.0
   63    62    39    33   0.98200  1.0 1.0
   63    62    39    33  -0.11900 -1.0 2.0
   63    62    39    33   0.24250  1.0 3.0
   63    62    39    55   0.80850  1.0 1.0
   63    62    39    55  -0.47300 -1.0 2.0
   63    62    39    55  -0.52300  1.0 3.0
   63    62    39    69   0.98200  1.0 1.0
   63    62    39    69  -0.11900 -1.0 2.0
   63    62    39    69   0.24250  1.0 3.0
   63    65    67    68   0.00000  1.0 1.0
   63    65   -67    69   0.09850  1.0 1.0
   63    65   -67    69   0.15250 -1.0 2.0
   63    65   -67    69  -0.50650  1.0 3.0
   63    65    67    72   0.39000  1.0 1.0
   63    65    67    72  -0.05800 -1.0 2.0
   63    65    67    72  -0.55150  1.0 3.0
   64    63    65    66   7.00000 -1.0 2.0
   64    63    65    67   7.00000 -1.0 2.0
   65    67    69    70   0.15000  1.0 3.0
   65    67    69    71   0.15000  1.0 3.0
   65    67    69    39   0.34400  1.0 1.0
   65    67    69    39   0.09450 -1.0 2.0
   65    67    69    39   0.11100  1.0 3.0
   65    67    72    73  -0.77900  1.0 1.0
   65    67    72    73  -0.36900 -1.0 2.0
   65    67    72    73   0.40400  1.0 3.0
   66    65    67    68   0.33100  1.0 3.0
   66    65    67    69   0.00000  1.0 1.0
   66    65    67    72   0.00000  1.0 1.0
   67    69    39    33   0.56750  1.0 1.0
   67    69    39    33  -0.07550 -1.0 2.0
   67    69    39    33   0.20000  1.0 3.0
   67    69    39    55   1.36600  1.0 1.0
   67    69    39    55  -0.11450 -1.0 2.0
   67    69    39    55   0.24250  1.0 3.0
   67    69   -39    62   0.34400  1.0 1.0
   67    69   -39    62   0.09450 -1.0 2.0
   67    69   -39    62   0.11100  1.0 3.0
   67    72    73    74   0.37050  1.0 3.0
   67    72    73    75   0.37050  1.0 3.0
   67    72    73    76   0.37050  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    71   0.15000  1.0 3.0
   68    67    69    39   0.15000  1.0 3.0
   68    67    72    73   0.37050  1.0 3.0
   69    67    72    73   0.06250  1.0 1.0
   69    67    72    73  -0.01100 -1.0 2.0
   69    67    72    73   0.28050  1.0 3.0
   70    69    39    33   0.15000  1.0 3.0
   70    69    39    55   0.19200  1.0 3.0
   70    69    39    62   0.15000  1.0 3.0
   71    69    39    33   0.15000  1.0 3.0
   71    69    39    55   0.19200  1.0 3.0
   71    69    39    62   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40   0.09850  1.0 1.0
   39    33    37    40   0.15250 -1.0 2.0
   39    33    37    40  -0.50650  1.0 3.0
   39    33    47    44   0.56750  1.0 1.0
   39    33    47    44  -0.07550 -1.0 2.0
   39    33    47    44   0.20000  1.0 3.0
   39    33    47    48   0.15000  1.0 3.0
   39    33   -47    49   0.56750  1.0 1.0
   39    33   -47    49  -0.07550 -1.0 2.0
   39    33   -47    49   0.20000  1.0 3.0
   39    55    57    58   0.15000  1.0 3.0
   39    55    57    59   0.15000  1.0 3.0
   39    55   -57    60   0.08000 -1.0 2.0
   39    62    63    64   0.00000  1.0 1.0
   39    62   -63    65  -0.18600  1.0 3.0
   72    67    69    70   0.23400  1.0 3.0
   72    67    69    71   0.23400  1.0 3.0
   72    67    69    39   0.62750  1.0 1.0
   72    67    69    39  -0.30950 -1.0 2.0
   72    67    69    39   0.27300  1.0 3.0
   42    40    41    44   2.00000 -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    38    37    40   1.10000 -1.0 2.0
   41    42    40    37   1.10000 -1.0 2.0
   57    61    60    62   1.10000 -1.0 2.0
   63    39    62    60   1.10000 -1.0 2.0
   62    64    63    65   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
END
