* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    148    245     438
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02075    77.59121   -87.02980
    3     1 S   H    _H1_     3     1.02137   100.21090    20.05401
    4     1 S   H    _H2_     4     1.02144    37.54827   127.51547
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08611   110.49349    58.87219
   26    24 S   HC   HB22    34     1.08640   109.89279   179.00771
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C18    36     1.80851    98.58713   -78.15770
   34    33 S   HC   _H3_    37     1.08850   109.46659   -59.68604
   35    33 S   HC   _H4_    38     1.08872   109.44023    59.65878
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CT   _C15    39     1.53325   110.05147   179.96574
   40    39 S   C3T  _C9_    40     1.51387   107.99801    60.37935
   41    40 S   HC   _H28    41     1.07751   117.73271   -29.71160
   42    39 S   OH   _O22    75     1.43208   105.02019   -54.11711
   43    42 S   HO   _H42    76     0.96693   106.11162    54.82816
   44    40 S   C3T  _C8_    42     1.48025   110.81295   116.48272
   45    44 S   HC   _H27    43     1.07766   122.24330  -145.06137
   46    44 S   CT   _C14    44     1.50728   110.97579     1.38324
   47    40 S   O3T  _O18    74     1.43192   116.20447  -178.77715
   48    46 S   CT   _C7_    45     1.54933   111.29051  -114.16400
   49    48 S   HC   _H26    46     1.09671   112.96351   -62.67126
   50    39 S   CT   _C13    54     1.61861   120.05684  -179.90721
   51    46 S   OH   _O21    72     1.43200   107.38384   130.40104
   52    51 S   HO   _H41    73     0.96857   106.20062    58.98890
   53    48 S   CO4  _C4_    47     1.51078   110.00088    59.83779
   54    53 S   O    _O16    48     1.21967   126.61469   -89.88342
   55    50 S   CT   _C17    55     1.56622   108.03828   139.92144
   56    55 S   HC   _H34    56     1.07598   107.83164    53.56678
   57    55 S   HC   _H35    57     1.07627   107.87028   -66.40015
   58    55 S   HC   _H36    58     1.07613   107.84092   173.56870
   59    53 S   OS   _O17    49     1.37376   108.11860    88.57494
   60    59 S   CT   _C10    50     1.44093   108.55435     2.20123
   61    60 S   HC   _H29    51     1.09521   107.21586   146.80345
   62    60 S   CT   _C11    52     1.54067   110.16334   -91.31858
   63    62 S   HC   _H30    53     1.09633   105.66258   179.19109
   64    48 S   CT   _C12    61     1.53261   113.69016   169.80904
   65    62 S   OH   _O19    59     1.42278   109.09046   -70.09897
   66    65 S   HO   _H39    60     0.97012   106.71677   -59.97365
   67    64 S   CM   _C6_    62     1.49319   116.52980    55.22270
   68    64 S   OH   _O20    70     1.43653   109.54902   173.84279
   69    68 S   HO   _H40    71     0.96618   105.92500   -65.72237
   70    67 S   CM   _C5_    63     1.34166   121.92959    30.00430
   71    70 S   HC   _H24    64     1.08468   121.36118  -180.00000
   72    70 S   HC   _H25    65     1.08530   121.35527    -0.00000
   73    67 S   CT   _C16    66     1.49999   116.17058  -150.01670
   74    73 S   HC   _H31    67     1.09491   110.26584   -90.00111
   75    73 S   HC   _H32    68     1.09415   110.26369    29.88614
   76    73 S   HC   _H33    69     1.09468   112.13375   149.98369
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  13   5   4   2   1   1  19  12   6   7   1  12   5  20   3  17
   9  15   5   1   8   3   7   3   2   1   8  11   6   6   3  11
   1   1   9   3   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    50    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    46    62    50    55    47    42    43  
   35    39    40    50    42  
   39    40    50    42  
   37    38  
   38  
    0  
   40    41    44    45    46    48    60    62    63    50    55    56    57    58    65    51    47    42    43  
   41    44    45    46    48    62    50    55    51    47    42    43  
   44    45    46    50    47    42  
   43    44    46    47    50    55    62  
   50  
   45    46    48    49    53    62    50    55    64    51    52    47  
   46    48    50    51    47  
   48    49    53    54    59    60    62    63    50    55    56    57    58    65    64    67    68    51    52    47  
   48    50    51  
   49    53    54    59    60    61    62    50    55    64    67    70    73    68    69    51    52  
   53    54    59    60    50    64    67    68    51  
   55    56    57    58    65    66    64    51    52    53    59    60    61    62    63  
   52    53    55    62    64  
    0  
   54    59    60    61    62    64    67    68  
   59    60    64  
   56    57    58    65    60    62    63  
   57    58    62  
   58    62  
   62  
   60    61    62    63    65    64    67    68  
   61    62    63    65    66    64    67    70    73    68    69  
   62    63    65    64    67    68  
   63    65    66    64    67    68  
   65    66    64  
   67    70    71    72    73    74    75    76    68    69    65  
   66  
    0  
   70    71    72    73    74    75    76    68    69  
   69    70    73  
    0  
   71    72    73    74    75    76  
   72    73  
   73  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   275.000  1.510
   39    50   268.000  1.529
   39    42   320.000  1.410
   40    41   340.000  1.088
   40    44   260.000  1.509
   40    47   335.000  1.432
   44    45   340.000  1.088
   44    46   275.000  1.510
   44    47   335.000  1.432
   46    48   268.000  1.529
   46    50   268.000  1.529
   46    51   320.000  1.410
   48    49   340.000  1.090
   48    53   317.000  1.522
   48    64   268.000  1.529
   53    54   570.000  1.229
   53    59   214.000  1.327
   59    60   320.000  1.410
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    64   268.000  1.529
   62    63   340.000  1.090
   62    50   268.000  1.529
   62    65   320.000  1.410
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   65    66   553.000  0.945
   64    67   317.000  1.510
   64    68   320.000  1.410
   67    70   549.000  1.340
   67    73   317.000  1.510
   70    71   340.000  1.080
   70    72   340.000  1.080
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   68    69   553.000  0.945
   51    52   553.000  0.945
   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    70.00000  112.37300
   33    39    50    58.35000  112.70000
   33    39    42    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    40    41    40.00000  115.04500
   39    40    44    60.00000  120.94000
   39    40    47    80.00000  116.47100
   39    50    46    58.35000  112.70000
   39    50    62    58.35000  112.70000
   39    50    55    58.35000  112.70000
   39    42    43    55.00000  108.50000
   40    44    45    37.50000  117.20000
   40    44    46    60.00000  120.94000
   40    44    47    15.00000   60.43100
   40    47    44    15.00000   59.14900
   44    40    41    37.50000  117.20000
   44    46    48    70.00000  112.37300
   44    46    50    70.00000  112.37300
   44    46    51    50.00000  109.50000
   46    44    45    40.00000  115.04500
   46    48    49    37.50000  110.70000
   46    48    53    63.00000  111.10000
   46    48    64    58.35000  112.70000
   46    50    62    58.35000  112.70000
   46    50    55    58.35000  112.70000
   46    51    52    55.00000  108.50000
   48    53    54    80.00000  120.40000
   48    53    59    81.00000  111.40000
   48    64    60    58.35000  112.70000
   48    64    67    70.00000  112.02700
   48    64    68    50.00000  109.50000
   53    48    49    35.00000  109.50000
   53    59    60    83.00000  116.90000
   59    53    54    83.00000  123.40000
   59    60    61    35.00000  109.50000
   59    60    62    50.00000  109.50000
   59    60    64    50.00000  109.50000
   60    62    63    37.50000  110.70000
   60    62    50    58.35000  112.70000
   60    62    65    50.00000  109.50000
   60    64    67    70.00000  112.02700
   60    64    68    50.00000  109.50000
   62    60    61    37.50000  110.70000
   62    50    55    58.35000  112.70000
   62    65    66    55.00000  108.50000
   50    39    40    70.00000  112.37300
   50    46    48    58.35000  112.70000
   50    62    63    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    58    37.50000  110.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   65    62    63    35.00000  109.50000
   65    62    50    50.00000  109.50000
   64    48    49    37.50000  110.70000
   64    48    53    63.00000  111.10000
   64    60    61    37.50000  110.70000
   64    60    62    58.35000  112.70000
   64    67    70    70.00000  124.00000
   64    67    73    65.00000  117.92700
   64    68    69    55.00000  108.50000
   67    70    71    35.00000  120.00000
   67    70    72    35.00000  120.00000
   67    73    74    35.00000  109.50000
   67    73    75    35.00000  109.50000
   67    73    76    35.00000  109.50000
   72    70    71    35.00000  117.00000
   73    67    70    70.00000  124.00000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   68    64    67    90.00000  110.39200
   51    46    48    50.00000  109.50000
   51    46    50    50.00000  109.50000
   47    40    41    50.00000  114.27700
   47    40    44    15.00000   60.43100
   47    44    45    50.00000  114.27700
   47    44    46    80.00000  116.47100
   42    39    40    50.00000  109.50000
   42    39    50    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.44750  1.0 1.0
   29    33    39    40  -0.17800 -1.0 2.0
   29    33    39    40   0.20200  1.0 3.0
   29    33    39    50   0.44750  1.0 1.0
   29    33    39    50  -0.17800 -1.0 2.0
   29    33    39    50   0.20200  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    40    41   0.15000  1.0 3.0
   33    39    40    44   0.07850  1.0 1.0
   33    39    40    44  -0.03950 -1.0 2.0
   33    39    40    44   0.67350  1.0 3.0
   33    39    40    47   0.02550  1.0 1.0
   33    39    40    47  -0.02600 -1.0 2.0
   33    39    40    47   1.20400  1.0 3.0
   33    39    50    46   0.56750  1.0 1.0
   33    39    50    46  -0.07550 -1.0 2.0
   33    39    50    46   0.20000  1.0 3.0
   33    39    50    62   0.56750  1.0 1.0
   33    39    50    62  -0.07550 -1.0 2.0
   33    39    50    62   0.20000  1.0 3.0
   33    39    50    55   0.56750  1.0 1.0
   33    39    50    55  -0.07550 -1.0 2.0
   33    39    50    55   0.20000  1.0 3.0
   33    39    42    43  -0.11600  1.0 1.0
   33    39    42    43  -0.09450 -1.0 2.0
   33    39    42    43   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    50   0.15000  1.0 3.0
   34    33    39    42   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    50   0.15000  1.0 3.0
   35    33    39    42   0.23400  1.0 3.0
   39    40    44    45   0.15000  1.0 3.0
   39    40   -44    46   0.56750  1.0 1.0
   39    40   -44    46  -0.07550 -1.0 2.0
   39    40   -44    46   0.20000  1.0 3.0
   39    40   -44    47   0.02550  1.0 1.0
   39    40   -44    47  -0.02600 -1.0 2.0
   39    40   -44    47   1.20400  1.0 3.0
   39    40   -47    44   0.06250  1.0 1.0
   39    40   -47    44  -0.01100 -1.0 2.0
   39    40   -47    44   0.28050  1.0 3.0
   39    50    55    56   0.15000  1.0 3.0
   39    50    55    57   0.15000  1.0 3.0
   39    50    55    58   0.15000  1.0 3.0
   40    39   -50    46   0.47050  1.0 1.0
   40    39   -50    46   0.03900 -1.0 2.0
   40    39   -50    46   0.20100  1.0 3.0
   40    39    50    62   0.47050  1.0 1.0
   40    39    50    62   0.03900 -1.0 2.0
   40    39    50    62   0.20100  1.0 3.0
   40    39    50    55   0.47050  1.0 1.0
   40    39    50    55   0.03900 -1.0 2.0
   40    39    50    55   0.20100  1.0 3.0
   40    39    42    43  -0.11600  1.0 1.0
   40    39    42    43  -0.09450 -1.0 2.0
   40    39    42    43   0.21250  1.0 3.0
   40    44    46    48   0.07850  1.0 1.0
   40    44    46    48  -0.03950 -1.0 2.0
   40    44    46    48   0.67350  1.0 3.0
   40    44   -46    50   0.07850  1.0 1.0
   40    44   -46    50  -0.03950 -1.0 2.0
   40    44   -46    50   0.67350  1.0 3.0
   40    44    46    51   0.86500  1.0 1.0
   40    44    46    51  -0.17500 -1.0 2.0
   40    44    46    51   0.20800  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40   -44    47   0.23400  1.0 3.0
   41    40   -47    44   0.36800  1.0 3.0
   44    46    48    49   0.15000  1.0 3.0
   44    46    48    53  -0.95700  1.0 1.0
   44    46    48    53  -0.18200 -1.0 2.0
   44    46    48    53   0.29450  1.0 3.0
   44    46    48    64   0.47050  1.0 1.0
   44    46    48    64   0.03900 -1.0 2.0
   44    46    48    64   0.20100  1.0 3.0
   44    46   -50    39   0.47050  1.0 1.0
   44    46   -50    39   0.03900 -1.0 2.0
   44    46   -50    39   0.20100  1.0 3.0
   44    46    50    62   0.47050  1.0 1.0
   44    46    50    62   0.03900 -1.0 2.0
   44    46    50    62   0.20100  1.0 3.0
   44    46    50    55   0.47050  1.0 1.0
   44    46    50    55   0.03900 -1.0 2.0
   44    46    50    55   0.20100  1.0 3.0
   44    46    51    52  -0.11600  1.0 1.0
   44    46    51    52  -0.09450 -1.0 2.0
   44    46    51    52   0.21250  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    46    51   0.23400  1.0 3.0
   45    44   -47    40   0.36800  1.0 3.0
   46    44   -47    40   0.06250  1.0 1.0
   46    44   -47    40  -0.01100 -1.0 2.0
   46    44   -47    40   0.28050  1.0 3.0
   46    48    53    54   0.30150 -1.0 2.0
   46    48    53    59   0.36750  1.0 3.0
   46    48    64    60   0.56750  1.0 1.0
   46    48    64    60  -0.07550 -1.0 2.0
   46    48    64    60   0.20000  1.0 3.0
   46    48    64    67   0.34400  1.0 1.0
   46    48    64    67   0.09450 -1.0 2.0
   46    48    64    67   0.11100  1.0 3.0
   46    48    64    68   0.86500  1.0 1.0
   46    48    64    68  -0.17500 -1.0 2.0
   46    48    64    68   0.20800  1.0 3.0
   46    50    55    56   0.15000  1.0 3.0
   46    50    55    57   0.15000  1.0 3.0
   46    50    55    58   0.15000  1.0 3.0
   48    46    50    39   0.56750  1.0 1.0
   48    46    50    39  -0.07550 -1.0 2.0
   48    46    50    39   0.20000  1.0 3.0
   48    46    50    62   0.56750  1.0 1.0
   48    46    50    62  -0.07550 -1.0 2.0
   48    46    50    62   0.20000  1.0 3.0
   48    46    50    55   0.56750  1.0 1.0
   48    46    50    55  -0.07550 -1.0 2.0
   48    46    50    55   0.20000  1.0 3.0
   48    46    51    52  -0.11600  1.0 1.0
   48    46    51    52  -0.09450 -1.0 2.0
   48    46    51    52   0.21250  1.0 3.0
   48    53   -59    60   1.63150  1.0 1.0
   48    53   -59    60   2.92000 -1.0 2.0
   48    64    67    70   0.09850  1.0 1.0
   48    64    67    70   0.15250 -1.0 2.0
   48    64    67    70  -0.50650  1.0 3.0
   48    64    67    73   0.46850  1.0 1.0
   48    64    67    73   0.08550 -1.0 2.0
   48    64    67    73   0.09800  1.0 3.0
   48    64    68    69  -0.11600  1.0 1.0
   48    64    68    69  -0.09450 -1.0 2.0
   48    64    68    69   0.21250  1.0 3.0
   49    48    53    54   0.00000  1.0 1.0
   49    48    53    59   0.00000  1.0 1.0
   49    48    64    60   0.15000  1.0 3.0
   49    48    64    67   0.15000  1.0 3.0
   49    48    64    68   0.23400  1.0 3.0
   53    48   -64    60  -0.95700  1.0 1.0
   53    48   -64    60  -0.18200 -1.0 2.0
   53    48   -64    60   0.29450  1.0 3.0
   53    48    64    67  -0.98800  1.0 1.0
   53    48    64    67   0.48800 -1.0 2.0
   53    48    64    67   0.76800  1.0 3.0
   53    48    64    68  -0.09450  1.0 1.0
   53    48    64    68  -1.12950 -1.0 2.0
   53    48    64    68   0.54000  1.0 3.0
   53    59    60    61   0.08050  1.0 3.0
   53    59    60    62  -0.25900  1.0 1.0
   53    59    60    62  -0.47000 -1.0 2.0
   53    59    60    62   0.11750  1.0 3.0
   53    59   -60    64  -0.25900  1.0 1.0
   53    59   -60    64  -0.47000 -1.0 2.0
   53    59   -60    64   0.11750  1.0 3.0
   54    53    59    60   3.00000 -1.0 2.0
   59    60    62    63   0.23400  1.0 3.0
   59    60    62    50   0.62750  1.0 1.0
   59    60    62    50  -0.30950 -1.0 2.0
   59    60    62    50   0.27300  1.0 3.0
   59    60    62    65   3.69350  1.0 1.0
   59    60    62    65  -1.82950 -1.0 2.0
   59    60   -64    48   0.62750  1.0 1.0
   59    60   -64    48  -0.30950 -1.0 2.0
   59    60   -64    48   0.27300  1.0 3.0
   59    60    64    67   0.61850  1.0 1.0
   59    60    64    67  -0.22750 -1.0 2.0
   59    60    64    67   0.15300  1.0 3.0
   59    60    64    68   3.69350  1.0 1.0
   59    60    64    68  -1.82950 -1.0 2.0
   60    62    50    39   0.56750  1.0 1.0
   60    62    50    39  -0.07550 -1.0 2.0
   60    62    50    39   0.20000  1.0 3.0
   60    62   -50    46   0.56750  1.0 1.0
   60    62   -50    46  -0.07550 -1.0 2.0
   60    62   -50    46   0.20000  1.0 3.0
   60    62    50    55   0.56750  1.0 1.0
   60    62    50    55  -0.07550 -1.0 2.0
   60    62    50    55   0.20000  1.0 3.0
   60    62    65    66  -0.11600  1.0 1.0
   60    62    65    66  -0.09450 -1.0 2.0
   60    62    65    66   0.21250  1.0 3.0
   60    64    67    70   0.09850  1.0 1.0
   60    64    67    70   0.15250 -1.0 2.0
   60    64    67    70  -0.50650  1.0 3.0
   60    64    67    73   0.46850  1.0 1.0
   60    64    67    73   0.08550 -1.0 2.0
   60    64    67    73   0.09800  1.0 3.0
   60    64    68    69  -0.11600  1.0 1.0
   60    64    68    69  -0.09450 -1.0 2.0
   60    64    68    69   0.21250  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    50   0.15000  1.0 3.0
   61    60    62    65   0.23400  1.0 3.0
   61    60    64    48   0.15000  1.0 3.0
   61    60    64    67   0.15000  1.0 3.0
   61    60    64    68   0.23400  1.0 3.0
   62    60   -64    48   0.56750  1.0 1.0
   62    60   -64    48  -0.07550 -1.0 2.0
   62    60   -64    48   0.20000  1.0 3.0
   62    60    64    67   0.34400  1.0 1.0
   62    60    64    67   0.09450 -1.0 2.0
   62    60    64    67   0.11100  1.0 3.0
   62    60    64    68   0.86500  1.0 1.0
   62    60    64    68  -0.17500 -1.0 2.0
   62    60    64    68   0.20800  1.0 3.0
   62    50    55    56   0.15000  1.0 3.0
   62    50    55    57   0.15000  1.0 3.0
   62    50    55    58   0.15000  1.0 3.0
   63    62    50    39   0.15000  1.0 3.0
   63    62    50    46   0.15000  1.0 3.0
   63    62    50    55   0.15000  1.0 3.0
   63    62    65    66   0.19450  1.0 3.0
   50    39    40    41   0.15000  1.0 3.0
   50    39   -40    44   0.07850  1.0 1.0
   50    39   -40    44  -0.03950 -1.0 2.0
   50    39   -40    44   0.67350  1.0 3.0
   50    39    40    47   0.02550  1.0 1.0
   50    39    40    47  -0.02600 -1.0 2.0
   50    39    40    47   1.20400  1.0 3.0
   50    39    42    43  -0.11600  1.0 1.0
   50    39    42    43  -0.09450 -1.0 2.0
   50    39    42    43   0.21250  1.0 3.0
   50    46    48    49   0.15000  1.0 3.0
   50    46    48    53  -0.95700  1.0 1.0
   50    46    48    53  -0.18200 -1.0 2.0
   50    46    48    53   0.29450  1.0 3.0
   50    46    48    64   0.56750  1.0 1.0
   50    46    48    64  -0.07550 -1.0 2.0
   50    46    48    64   0.20000  1.0 3.0
   50    46    51    52  -0.11600  1.0 1.0
   50    46    51    52  -0.09450 -1.0 2.0
   50    46    51    52   0.21250  1.0 3.0
   50    62    65    66  -0.11600  1.0 1.0
   50    62    65    66  -0.09450 -1.0 2.0
   50    62    65    66   0.21250  1.0 3.0
   65    62    50    39   0.86500  1.0 1.0
   65    62    50    39  -0.17500 -1.0 2.0
   65    62    50    39   0.20800  1.0 3.0
   65    62    50    46   0.86500  1.0 1.0
   65    62    50    46  -0.17500 -1.0 2.0
   65    62    50    46   0.20800  1.0 3.0
   65    62    50    55   0.86500  1.0 1.0
   65    62    50    55  -0.17500 -1.0 2.0
   65    62    50    55   0.20800  1.0 3.0
   64    48    53    54   0.30150 -1.0 2.0
   64    48   -53    59   0.36750  1.0 3.0
   64    60    62    63   0.15000  1.0 3.0
   64    60   -62    50   0.56750  1.0 1.0
   64    60   -62    50  -0.07550 -1.0 2.0
   64    60   -62    50   0.20000  1.0 3.0
   64    60    62    65   0.86500  1.0 1.0
   64    60    62    65  -0.17500 -1.0 2.0
   64    60    62    65   0.20800  1.0 3.0
   64    67    70    71   7.00000 -1.0 2.0
   64    67    70    72   7.00000 -1.0 2.0
   64    67    73    74   0.34800  1.0 3.0
   64    67    73    75   0.34800  1.0 3.0
   64    67    73    76   0.34800  1.0 3.0
   67    64    68    69  -0.07800  1.0 1.0
   67    64    68    69  -0.21500 -1.0 2.0
   67    64    68    69  -0.03150  1.0 3.0
   70    67    73    74   0.00000  1.0 1.0
   70    67    73    75   0.00000  1.0 1.0
   70    67    73    76   0.00000  1.0 1.0
   73    67    70    71   7.00000 -1.0 2.0
   73    67    70    72   7.00000 -1.0 2.0
   68    64    67    70   0.67800  1.0 1.0
   68    64    67    70   0.47050 -1.0 2.0
   68    64    67    70  -0.62500  1.0 3.0
   68    64    67    73   0.18000  1.0 1.0
   68    64    67    73   0.16450 -1.0 2.0
   68    64    67    73   0.04450  1.0 3.0
   51    46    48    49   0.23400  1.0 3.0
   51    46    48    53  -0.09450  1.0 1.0
   51    46    48    53  -1.12950 -1.0 2.0
   51    46    48    53   0.54000  1.0 3.0
   51    46    48    64   0.86500  1.0 1.0
   51    46    48    64  -0.17500 -1.0 2.0
   51    46    48    64   0.20800  1.0 3.0
   51    46    50    39   0.86500  1.0 1.0
   51    46    50    39  -0.17500 -1.0 2.0
   51    46    50    39   0.20800  1.0 3.0
   51    46    50    62   0.86500  1.0 1.0
   51    46    50    62  -0.17500 -1.0 2.0
   51    46    50    62   0.20800  1.0 3.0
   51    46    50    55   0.86500  1.0 1.0
   51    46    50    55  -0.17500 -1.0 2.0
   51    46    50    55   0.20800  1.0 3.0
   47    40   -44    45   0.23400  1.0 3.0
   47    40   -44    46   0.02550  1.0 1.0
   47    40   -44    46  -0.02600 -1.0 2.0
   47    40   -44    46   1.20400  1.0 3.0
   47    44    46    48   0.02550  1.0 1.0
   47    44    46    48  -0.02600 -1.0 2.0
   47    44    46    48   1.20400  1.0 3.0
   47    44   -46    50   0.02550  1.0 1.0
   47    44   -46    50  -0.02600 -1.0 2.0
   47    44   -46    50   1.20400  1.0 3.0
   47    44    46    51   3.69350  1.0 1.0
   47    44    46    51  -1.82950 -1.0 2.0
   42    39    40    41   0.23400  1.0 3.0
   42    39    40    44   0.86500  1.0 1.0
   42    39    40    44  -0.17500 -1.0 2.0
   42    39    40    44   0.20800  1.0 3.0
   42    39    40    47   3.69350  1.0 1.0
   42    39    40    47  -1.82950 -1.0 2.0
   42    39    50    46   0.86500  1.0 1.0
   42    39    50    46  -0.17500 -1.0 2.0
   42    39    50    46   0.20800  1.0 3.0
   42    39    50    62   0.86500  1.0 1.0
   42    39    50    62  -0.17500 -1.0 2.0
   42    39    50    62   0.20800  1.0 3.0
   42    39    50    55   0.86500  1.0 1.0
   42    39    50    55  -0.17500 -1.0 2.0
   42    39    50    55   0.20800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   48    59    53    54  10.50000 -1.0 2.0
   64    73    67    70  15.00000 -1.0 2.0
   71    72    70    67  15.00000 -1.0 2.0
END
