* LIGAND DATABASE FILE (OPLS2005)
*
001      85    85    152    229     447
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02082    33.35921   178.57275
    3     1 S   H    _H1_     3     1.02113    93.82981   -62.60145
    4     1 S   H    _H2_     4     1.02082    86.44432    45.95650
    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     1.08491   110.62044    58.72541
   26    24 S   HC   HB22    34     1.08584   110.00631   179.17671
   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   _C17    36     1.89486    96.64464   161.86479
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   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   CT   _C16    37     1.56301   104.84311    55.47261
   38    37 S   HC   _H35    38     1.10893   110.70932   -47.25614
   39    33 S   CM   _C10    60     1.51456   101.93771   -59.98746
   40    39 S   HC   _H30    61     1.08547   115.55383   111.09438
   41    37 S   CO4  _C4_    39     1.52791   111.36360    68.65839
   42    41 S   O    _O21    40     1.23234   121.14513  -154.12672
   43    37 S   CT   _C21    56     1.53203   116.18844  -167.13449
   44    43 S   HC   _H42    57     1.08544   109.20509   -57.20533
   45    43 S   HC   _H43    58     1.08474   109.27248  -177.21336
   46    43 S   HC   _H44    59     1.08484   109.26197    62.74566
   47    39 S   CM   _C8_    62     1.34362   123.46201   -68.96073
   48    47 S   HC   _H28    63     1.08919   117.30134     0.03426
   49    41 S   CT   _C14    41     1.51237   118.03608    25.22054
   50    49 S   HC   _H31    42     1.09592   108.73169   150.84032
   51    49 S   HC   _H32    43     1.09444   108.42171   -92.69885
   52    47 S   CM   _C12    64     1.46660   126.87854   180.00000
   53    49 S   CT   _C15    44     1.51858   110.55996    30.42243
   54    53 S   HC   _H33    45     1.10134   108.51187    62.69060
   55    53 S   HC   _H34    46     1.10116   108.76544   176.84359
   56    52 S   CM   _C7_    65     1.35083   118.19866   -39.97491
   57    56 S   HC   _H27    66     1.09033   118.22634     0.11869
   58    52 S   CT   _C20    82     1.50868   117.12048   140.02775
   59    58 S   HC   _H39    83     1.09563   110.40075   -89.97820
   60    58 S   HC   _H40    84     1.09135   113.87162   150.26600
   61    58 S   HC   _H41    85     1.09514   110.50261    30.37137
   62    33 S   CT   _C18    47     1.59801   113.32741   178.53500
   63    56 S   CM   _C5_    67     1.45171   127.66875  -179.85735
   64    63 S   HC   _H25    68     1.08195   117.67215     0.34943
   65    62 S   CT   _C22    48     1.55605   112.06235   149.42409
   66    65 S   HC   _H45    49     1.08056   108.61446   -57.60935
   67    65 S   HC   _H46    50     1.08093   108.60523  -177.54728
   68    65 S   HC   _H47    51     1.08089   108.58725    62.41628
   69    62 S   CT   _C23    52     1.55203   113.29050    30.91704
   70    69 S   HC   _H48    53     1.07950   108.56509    55.61777
   71    69 S   HC   _H49    54     1.08072   108.51611   -64.41676
   72    69 S   HC   _H50    55     1.08129   108.48093   175.62503
   73    63 S   CM   _C6_    69     1.34502   122.47036  -179.95154
   74    73 S   HC   _H26    70     1.08946   117.88963    -0.37742
   75    73 S   CM   _C11    71     1.46707   126.80404  -179.73681
   76    75 S   CM   _C9_    72     1.34811   117.89203   179.98022
   77    76 S   HC   _H29    73     1.08927   119.76250    -1.21853
   78    75 S   CT   _C19    78     1.50785   117.28725    -1.17453
   79    78 S   HC   _H36    79     1.09667   110.69356    89.99754
   80    78 S   HC   _H37    80     1.09495   110.52231  -149.48716
   81    78 S   HC   _H38    81     1.09184   113.66504   -28.26961
   82    76 S   C    _C13    74     1.47989   125.85762   179.98022
   83    82 S   O    _O22    75     1.21817   127.07530    29.98227
   84    82 S   OH   _O23    76     1.35454   108.33985  -151.12282
   85    84 S   HO   _H51    77     0.98119   111.91316  -178.94094
  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
  26   2   1   1  17   9  12   4  12   5   5   2   1   1  10   3
   8   5   4   9  11   4   3  10   4   4   2   1   1   8   6   3
   7   3   2   1   3   2   1   1   9   3   9   9   4   4   2   1
   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    62    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    53    62    65    69    43    39    40    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    49    53    54    55    62    65    66    67    68    69    70    71    72    43    44    45    46    39    40    47    48    52  
   35    36  
   36  
    0  
   38    41    42    49    50    51    53    62    65    69    43    44    45    46    39    40    47  
   41    42    49    62    43    44    45    46    39  
   40    47    48    52    56    58    41    43    53    62    65    69  
   47    48    52    62  
   42    49    50    51    53    54    55    62    43    44    45    46  
   49    50    51    53    43  
   44    45    46    49    62  
   45    46  
   46  
    0  
   48    52    56    57    63    58    59    60    61    62  
   52    56    58  
   50    51    53    54    55    62    65    69  
   51    53    54    55    62  
   53    54    55    62  
   56    57    63    64    73    58    59    60    61  
   54    55    62    65    66    67    68    69    70    71    72  
   55    62    65    69  
   62    65    69  
   57    63    64    73    74    75    58    59    60    61  
   63    64    73    58  
   59    60    61    63  
   60    61  
   61  
    0  
   65    66    67    68    69    70    71    72  
   64    73    74    75    76    78  
   73    74    75  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69  
   69  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    77    82    78    79    80    81  
   75    76    78  
   76    77    82    83    84    78    79    80    81  
   77    82    83    84    85    78    79    80    81  
   82    83    84    78  
   79    80    81    82  
   80    81  
   81  
    0  
   83    84    85  
   84    85  
   85  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   84   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
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   268.000  1.529
   33    62   268.000  1.529
   33    39   317.000  1.510
   37    38   340.000  1.090
   37    41   317.000  1.522
   37    43   268.000  1.529
   41    42   570.000  1.229
   41    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    62   268.000  1.529
   62    65   268.000  1.529
   62    69   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   39    40   340.000  1.080
   39    47   549.000  1.340
   47    48   340.000  1.080
   47    52   380.000  1.444
   52    56   549.000  1.340
   52    58   317.000  1.510
   56    57   340.000  1.080
   56    63   380.000  1.444
   63    64   340.000  1.080
   63    73   549.000  1.340
   73    74   340.000  1.080
   73    75   380.000  1.444
   75    76   549.000  1.340
   75    78   317.000  1.510
   76    77   340.000  1.080
   76    82   410.000  1.444
   82    83   570.000  1.229
   82    84   450.000  1.364
   84    85   553.000  0.945
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   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  111.63000
   29    33    62    75.00000  111.63000
   29    33    39    75.00000  112.20000
   33    37    38    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    37    43    58.35000  112.70000
   33    62    53    58.35000  112.70000
   33    62    65    58.35000  112.70000
   33    62    69    58.35000  112.70000
   33    39    40    35.00000  117.00000
   33    39    47    70.00000  124.00000
   37    41    42    80.00000  120.40000
   37    41    49    70.00000  116.00000
   37    43    44    37.50000  110.70000
   37    43    45    37.50000  110.70000
   37    43    46    37.50000  110.70000
   41    37    38    35.00000  109.50000
   41    49    50    35.00000  109.50000
   41    49    51    35.00000  109.50000
   41    49    53    63.00000  111.10000
   49    41    42    80.00000  120.40000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    62    58.35000  112.70000
   51    49    50    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   53    62    65    58.35000  112.70000
   53    62    69    58.35000  112.70000
   55    53    54    33.00000  107.80000
   62    33    37    58.35000  112.70000
   62    53    54    37.50000  110.70000
   62    53    55    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    37.50000  110.70000
   62    69    70    37.50000  110.70000
   62    69    71    37.50000  110.70000
   62    69    72    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    62    65    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   43    37    38    37.50000  110.70000
   43    37    41    63.00000  111.10000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    62    70.00000  112.02700
   39    47    48    35.00000  120.00000
   39    47    52    70.00000  123.01800
   47    39    40    35.00000  120.00000
   47    52    56    70.00000  123.01800
   47    52    58    70.00000  124.00000
   52    47    48    35.00000  120.00000
   52    56    57    35.00000  120.00000
   52    56    63    70.00000  123.01800
   52    58    59    35.00000  109.50000
   52    58    60    35.00000  109.50000
   52    58    61    35.00000  109.50000
   56    63    64    35.00000  120.00000
   56    63    73    70.00000  123.01800
   63    56    57    35.00000  120.00000
   63    73    74    35.00000  120.00000
   63    73    75    70.00000  123.01800
   73    63    64    35.00000  120.00000
   73    75    76    70.00000  123.01800
   73    75    78    70.00000  124.00000
   75    73    74    35.00000  120.00000
   75    76    77    35.00000  120.00000
   75    76    82    70.00000  118.70000
   75    78    79    35.00000  109.50000
   75    78    80    35.00000  109.50000
   75    78    81    35.00000  109.50000
   76    82    83    80.00000  125.30000
   76    82    84    90.00000  111.55000
   82    76    77    35.00000  119.70000
   82    84    85    35.00000  113.00000
   84    82    83   100.00000  123.32000
   78    75    76    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   58    52    56    70.00000  124.00000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    62   0.01700  1.0 1.0
   24    29    33    62  -0.23550 -1.0 2.0
   24    29    33    62   0.21350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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   0.15000  1.0 3.0
   29    33    37    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    62    53   0.44750  1.0 1.0
   29    33    62    53  -0.17800 -1.0 2.0
   29    33    62    53   0.20200  1.0 3.0
   29    33    62    65   0.44750  1.0 1.0
   29    33    62    65  -0.17800 -1.0 2.0
   29    33    62    65   0.20200  1.0 3.0
   29    33    62    69   0.44750  1.0 1.0
   29    33    62    69  -0.17800 -1.0 2.0
   29    33    62    69   0.20200  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    47   0.42700  1.0 1.0
   29    33    39    47  -0.70350 -1.0 2.0
   29    33    39    47  -0.43150  1.0 3.0
   33    37    41    42   0.30150 -1.0 2.0
   33    37    41    49   0.60050  1.0 1.0
   33    37    41    49   0.05600 -1.0 2.0
   33    37    41    49   0.26150  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    45   0.15000  1.0 3.0
   33    37    43    46   0.15000  1.0 3.0
   33    62    65    66   0.15000  1.0 3.0
   33    62    65    67   0.15000  1.0 3.0
   33    62    65    68   0.15000  1.0 3.0
   33    62    69    70   0.15000  1.0 3.0
   33    62    69    71   0.15000  1.0 3.0
   33    62    69    72   0.15000  1.0 3.0
   33    39    47    48   7.00000 -1.0 2.0
   33    39    47    52   7.00000 -1.0 2.0
   37    33    62    53   0.56750  1.0 1.0
   37    33    62    53  -0.07550 -1.0 2.0
   37    33    62    53   0.20000  1.0 3.0
   37    33    62    65   0.56750  1.0 1.0
   37    33    62    65  -0.07550 -1.0 2.0
   37    33    62    65   0.20000  1.0 3.0
   37    33    62    69   0.56750  1.0 1.0
   37    33    62    69  -0.07550 -1.0 2.0
   37    33    62    69   0.20000  1.0 3.0
   37    33    39    40   0.00000  1.0 1.0
   37    33    39    47   0.09850  1.0 1.0
   37    33    39    47   0.15250 -1.0 2.0
   37    33    39    47  -0.50650  1.0 3.0
   37    41    49    50   0.00000  1.0 1.0
   37    41    49    51   0.00000  1.0 1.0
   37    41   -49    53   0.60050  1.0 1.0
   37    41   -49    53   0.05600 -1.0 2.0
   37    41   -49    53   0.26150  1.0 3.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    49   0.00000  1.0 1.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    45   0.15000  1.0 3.0
   38    37    43    46   0.15000  1.0 3.0
   41    37    43    44  -0.11250  1.0 3.0
   41    37    43    45  -0.11250  1.0 3.0
   41    37    43    46  -0.11250  1.0 3.0
   41    49    53    54  -0.11250  1.0 3.0
   41    49    53    55  -0.11250  1.0 3.0
   41    49    53    62  -0.95700  1.0 1.0
   41    49    53    62  -0.18200 -1.0 2.0
   41    49    53    62   0.29450  1.0 3.0
   42    41    49    50   0.00000  1.0 1.0
   42    41    49    51   0.00000  1.0 1.0
   42    41    49    53   0.30150 -1.0 2.0
   49    53   -62    33   0.56750  1.0 1.0
   49    53   -62    33  -0.07550 -1.0 2.0
   49    53   -62    33   0.20000  1.0 3.0
   49    53    62    65   0.56750  1.0 1.0
   49    53    62    65  -0.07550 -1.0 2.0
   49    53    62    65   0.20000  1.0 3.0
   49    53    62    69   0.56750  1.0 1.0
   49    53    62    69  -0.07550 -1.0 2.0
   49    53    62    69   0.20000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    62   0.15000  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    55   0.15000  1.0 3.0
   51    49    53    62   0.15000  1.0 3.0
   53    62    65    66   0.15000  1.0 3.0
   53    62    65    67   0.15000  1.0 3.0
   53    62    65    68   0.15000  1.0 3.0
   53    62    69    70   0.15000  1.0 3.0
   53    62    69    71   0.15000  1.0 3.0
   53    62    69    72   0.15000  1.0 3.0
   54    53    62    33   0.15000  1.0 3.0
   54    53    62    65   0.15000  1.0 3.0
   54    53    62    69   0.15000  1.0 3.0
   55    53    62    33   0.15000  1.0 3.0
   55    53    62    65   0.15000  1.0 3.0
   55    53    62    69   0.15000  1.0 3.0
   62    33    37    38   0.15000  1.0 3.0
   62    33   -37    41  -0.95700  1.0 1.0
   62    33   -37    41  -0.18200 -1.0 2.0
   62    33   -37    41   0.29450  1.0 3.0
   62    33    37    43   0.56750  1.0 1.0
   62    33    37    43  -0.07550 -1.0 2.0
   62    33    37    43   0.20000  1.0 3.0
   62    33    39    40   0.00000  1.0 1.0
   62    33    39    47   0.09850  1.0 1.0
   62    33    39    47   0.15250 -1.0 2.0
   62    33    39    47  -0.50650  1.0 3.0
   65    62    69    70   0.15000  1.0 3.0
   65    62    69    71   0.15000  1.0 3.0
   65    62    69    72   0.15000  1.0 3.0
   69    62    65    66   0.15000  1.0 3.0
   69    62    65    67   0.15000  1.0 3.0
   69    62    65    68   0.15000  1.0 3.0
   43    37    41    42   0.30150 -1.0 2.0
   43    37    41    49   0.60050  1.0 1.0
   43    37    41    49   0.05600 -1.0 2.0
   43    37    41    49   0.26150  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    41  -0.98800  1.0 1.0
   39    33    37    41   0.48800 -1.0 2.0
   39    33    37    41   0.76800  1.0 3.0
   39    33    37    43   0.34400  1.0 1.0
   39    33    37    43   0.09450 -1.0 2.0
   39    33    37    43   0.11100  1.0 3.0
   39    33    62    53   0.34400  1.0 1.0
   39    33    62    53   0.09450 -1.0 2.0
   39    33    62    53   0.11100  1.0 3.0
   39    33    62    65   0.34400  1.0 1.0
   39    33    62    65   0.09450 -1.0 2.0
   39    33    62    65   0.11100  1.0 3.0
   39    33    62    69   0.34400  1.0 1.0
   39    33    62    69   0.09450 -1.0 2.0
   39    33    62    69   0.11100  1.0 3.0
   39    47    52    56   0.28850  1.0 1.0
   39    47    52    56   2.61350 -1.0 2.0
   39    47    52    56   0.78400  1.0 3.0
   39    47    52    58  -0.18600  1.0 3.0
   40    39    47    48   7.00000 -1.0 2.0
   40    39    47    52   7.00000 -1.0 2.0
   47    52    56    57   7.00000 -1.0 2.0
   47    52    56    63   7.00000 -1.0 2.0
   47    52    58    59   0.00000  1.0 1.0
   47    52    58    60   0.00000  1.0 1.0
   47    52    58    61   0.00000  1.0 1.0
   48    47    52    56  -0.18600  1.0 3.0
   48    47    52    58   0.00000  1.0 1.0
   52    56    63    64  -0.18600  1.0 3.0
   52    56    63    73   0.28850  1.0 1.0
   52    56    63    73   2.61350 -1.0 2.0
   52    56    63    73   0.78400  1.0 3.0
   56    52    58    59   0.00000  1.0 1.0
   56    52    58    60   0.00000  1.0 1.0
   56    52    58    61   0.00000  1.0 1.0
   56    63    73    74   7.00000 -1.0 2.0
   56    63    73    75   7.00000 -1.0 2.0
   57    56    63    64   0.00000  1.0 1.0
   57    56    63    73  -0.18600  1.0 3.0
   63    73    75    76   0.28850  1.0 1.0
   63    73    75    76   2.61350 -1.0 2.0
   63    73    75    76   0.78400  1.0 3.0
   63    73    75    78  -0.18600  1.0 3.0
   64    63    73    74   7.00000 -1.0 2.0
   64    63    73    75   7.00000 -1.0 2.0
   73    75    76    77   7.00000 -1.0 2.0
   73    75    76    82   7.00000 -1.0 2.0
   73    75    78    79   0.00000  1.0 1.0
   73    75    78    80   0.00000  1.0 1.0
   73    75    78    81   0.00000  1.0 1.0
   74    73    75    76  -0.18600  1.0 3.0
   74    73    75    78   0.00000  1.0 1.0
   75    76    82    83   1.00000 -1.0 2.0
   75    76    82    84  -0.01000  1.0 1.0
   75    76    82    84   1.29850 -1.0 2.0
   75    76    82    84  -0.09550  1.0 3.0
   76    75    78    79   0.00000  1.0 1.0
   76    75    78    80   0.00000  1.0 1.0
   76    75    78    81   0.00000  1.0 1.0
   76    82    84    85   1.22000  1.0 1.0
   76    82    84    85   0.17300 -1.0 2.0
   77    76    82    83   0.00000  1.0 1.0
   77    76    82    84   0.81850 -1.0 2.0
   83    82    84    85   0.92200  1.0 1.0
   83    82    84    85   3.74100 -1.0 2.0
   78    75    76    77   7.00000 -1.0 2.0
   78    75    76    82   7.00000 -1.0 2.0
   58    52    56    57   7.00000 -1.0 2.0
   58    52    56    63   7.00000 -1.0 2.0
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
   36    30    34    35  10.50000 -1.0 2.0
   37    49    41    42  10.50000 -1.0 2.0
   33    40    39    47  15.00000 -1.0 2.0
   52    48    47    39  15.00000 -1.0 2.0
   47    58    52    56  15.00000 -1.0 2.0
   63    57    56    52  15.00000 -1.0 2.0
   56    64    63    73  15.00000 -1.0 2.0
   75    74    73    63  15.00000 -1.0 2.0
   73    78    75    76  15.00000 -1.0 2.0
   82    77    76    75  15.00000 -1.0 2.0
   76    84    82    83  10.50000 -1.0 2.0
END
