* LIGAND DATABASE FILE (OPLS2005)
*
001      84    88    152    244     440
    1     0 S   NP   _N1_     1    28.12582    98.24456   -20.24851
    2     1 S   H    _HN1     2     1.02751   105.34645  -156.45297
    3     1 S   H    _H1_     3     1.02858    65.61211   -52.39119
    4     1 S   H    _H2_     4     1.03277    44.95699   105.04920
    5     1 S   CT   _CA1     5     1.49744   140.30697    41.51946
    6     5 S   HC   _HA1     6     1.09081   104.97020    94.66550
    7     5 S   CO3  _C1_     7     1.53786   112.90604   -25.48163
    8     7 S   O2Z  _O11     8     1.26424   114.94167   -38.63268
    9     7 S   O2Z  _O12     9     1.26255   115.13377   140.91646
   10     5 S   CT   _CB1    10     1.52985   108.54366  -147.98725
   11    10 S   HC   HB11    11     1.09783   110.37097   -39.62147
   12    10 S   HC   HB12    12     1.09751   110.65405    77.98238
   13    10 S   CT   _CG1    13     1.52995   111.00948  -159.78065
   14    13 S   HC   HG11    14     1.09587   110.55049   -60.11763
   15    13 S   HC   HG12    15     1.09706   109.67412    58.64514
   16    13 S   C    _CD1    16     1.51545   113.00141   179.78878
   17    16 S   O    _OE1    17     1.22688   123.53981     9.48896
   18    16 S   N    _N2_    18     1.38439   111.17526  -172.23264
   19    18 S   H    _HN2    19     1.01586   119.10303     6.72543
   20    18 S   CT1  _CA2    20     1.45748   123.35282  -174.80450
   21    20 S   HC   _HA2    21     1.09732   108.65258    25.71403
   22    20 S   C    _C2_    22     1.52820   107.60889   -91.85005
   23    22 S   O    _O2_    23     1.22949   122.94370   -26.27656
   24    20 S   CT   _CB2    32     1.53291   111.43131   148.12357
   25    24 S   HC   HB21    33     1.09436   109.46778    61.53817
   26    24 S   HC   HB22    34     1.09501   110.55285   179.83687
   27    22 S   N    _N3_    24     1.38615   112.36957   156.34304
   28    27 S   H    _HN3    25     1.01507   119.68989     1.35306
   29    24 S   S    _SG2    35     1.82976   110.37732   -60.26323
   30    27 S   CT   _CA3    26     1.45455   122.91214   176.25691
   31    30 S   HC   HA31    27     1.09533   109.07975    28.48381
   32    30 S   HC   HA32    28     1.09487   107.19049   145.54521
   33    29 S   CT   _C27    36     1.84218   101.18814   150.73186
   34    33 S   OM   _O41    37     1.31898   110.29482  -175.20498
   35    30 S   CO3  _C3_    29     1.52978   113.22738   -94.78106
   36    35 S   O2Z  _O31    30     1.26397   115.52172   -40.85248
   37    35 S   O2Z  _O32    31     1.26370   114.91482   140.06900
   38    33 S   CT   _C28    38     1.54524   106.82849    69.70654
   39    38 S   HC   _H15    39     1.09731   111.44718   -65.19776
   40    38 S   HC   _H16    40     1.09994   111.16411   178.21491
   41    38 S   HC   _H17    41     1.09834   113.33826    57.20444
   42    33 S   OS   _O40    42     1.44558   114.79594   -45.53876
   43    42 S   CA   _C14    43     1.36620   124.87063   -67.97827
   44    43 S   CA   _C15    44     1.39202   127.38378     6.00629
   45    44 S   HA   _H10    45     1.08441   122.06227     0.10087
   46    44 S   CA   _C16    46     1.40256   120.33043  -179.58646
   47    46 S   HA   _H11    47     1.08808   118.26540  -179.64778
   48    46 S   CA   _C17    48     1.40439   121.23546     1.01760
   49    48 S   CA   _C12    49     1.39660   117.93386    -1.07411
   50    48 S   CT   _C18    62     1.51605   122.46730   179.47661
   51    43 S   CA   _C13    50     1.39823   113.93266  -173.87039
   52    51 S   HA   _H9_    51     1.08839   119.53133    -0.18345
   53    49 S   OS   _O35    52     1.37418   123.41721   179.41885
   54    50 S   CA   _C19    63     1.49423   113.54855    68.25051
   55    50 S   OS   _O37    74     1.46123   108.39650   -43.99724
   56    53 S   CA   _C10    53     1.37414   118.07457   -15.72717
   57    54 S   CA   _C20    64     1.38456   130.19669    64.64367
   58    57 S   HA   _H12    65     1.08522   121.26888    -1.33325
   59    56 S   CA   _C11    54     1.39673   115.84728  -165.32175
   60    59 S   HA   _H8_    55     1.08623   120.48102     0.26834
   61    57 S   CA   _C21    66     1.39992   118.51214   178.48897
   62    61 S   HA   _H13    67     1.08828   118.49020   179.32681
   63    59 S   CA   _C6_    56     1.39201   119.11811  -179.87180
   64    61 S   CA   _C22    68     1.41402   121.37375     0.30519
   65    63 S   CA   _C7_    57     1.39131   121.33159    -1.15792
   66    65 S   HA   _H6_    58     1.08572   120.79148  -178.94891
   67    64 S   CA   _C23    69     1.40379   119.08410    -0.64346
   68    67 S   HA   _H14    70     1.08560   121.39339   179.94405
   69    64 S   CO3  _C26    75     1.50560   120.36877   177.21329
   70    69 S   O2Z  _O39    76     1.27163   116.97873  -154.27217
   71    69 S   O2Z  _O38    77     1.26967   117.23058    24.38808
   72    63 S   OS   _O34    78     1.39603   119.36947  -178.20474
   73    65 S   CA   _C8_    59     1.39485   119.10983     1.62353
   74    73 S   HA   _H7_    60     1.08724   118.45989   178.74883
   75    54 S   CA   _C24    71     1.38106   109.76413  -116.90020
   76    72 S   CO4  _C5_    79     1.39021   112.74227   -90.13144
   77    76 S   O    _O33    80     1.22380   127.10447    -0.09487
   78    56 S   CA   _C9_    61     1.40188   123.21005    14.85608
   79    75 S   CO4  _C25    72     1.45515   109.12000     0.57164
   80    79 S   O    _O36    73     1.21463   126.91946  -179.37224
   81    76 S   CT   _C4_    81     1.49992   108.68037   179.92598
   82    81 S   HC   _H3_    82     1.09286   109.82515   -60.92974
   83    81 S   HC   _H4_    83     1.09378   109.32342  -179.95154
   84    81 S   HC   _H5_    84     1.09285   109.82498    61.01970
  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   8   5   4   3
   9   6   2   1   1   5   3   2   1   7   9   8   4   9   3  13
   9  17   3   1   6  14   8   8   9   4   8   4   8   3   9   7
   6   4   7   3   3   1   1   7   2   1   3   5   4   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    51  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43  
   40    41    42  
   41    42  
   42  
   43    44    45    46    49    51    52  
   44    45    46    47    48    49    51    52    53  
   45    46    47    48    49    51    52    50  
   46    47    48    51  
   47    48    49    51    53    78    50    54    55  
   48    49    50  
   49    51    52    53    56    73    78    50    54    57    75    79    55  
   51    52    53    56    59    78    50    54    55  
   54    57    58    61    67    75    79    80    55    51    53    56    59    65    73    74    78  
   52    53    56  
   53  
   56    59    60    63    73    78  
   57    58    61    62    64    67    68    75    79    80    55    56    73    78  
   56    57    67    73    75    78    79    80  
   59    60    63    65    73    74    78    72  
   58    61    62    64    67    75    79    69    78  
   61    62    64    75  
   60    63    65    66    73    78    72    76  
   63    65    78    72  
   62    64    67    68    75    69    70    71  
   64    67    69  
   65    66    73    74    78    72    76    77    81  
   67    68    75    79    69    70    71  
   66    73    74    78    72    76  
   73    74    78    72  
   68    75    79    80    69    70    71  
   75    79    69  
   70    71    75  
   71  
    0  
   76    77    81    82    83    84    73  
   74    78  
   78  
   79    80    78  
   77    81    82    83    84  
   81    82    83    84  
   79  
   80  
    0  
   82    83    84  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.375400   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   2.9000   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   55   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.7500   0.1050   0.715000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   72   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   79   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.060000   1.3810   1.2100   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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   570.000  1.307
   33    38   268.000  1.529
   33    42   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   450.000  1.364
   43    44   469.000  1.400
   43    51   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   469.000  1.400
   48    50   317.000  1.510
   49    51   469.000  1.400
   49    53   450.000  1.364
   51    52   367.000  1.080
   53    56   450.000  1.364
   56    59   469.000  1.400
   56    78   469.000  1.400
   59    60   367.000  1.080
   59    63   469.000  1.400
   63    65   469.000  1.400
   63    72   450.000  1.364
   65    66   367.000  1.080
   65    73   469.000  1.400
   73    74   367.000  1.080
   73    78   469.000  1.400
   78    50   317.000  1.510
   50    54   317.000  1.510
   50    55   320.000  1.410
   54    57   469.000  1.400
   54    75   469.000  1.400
   57    58   367.000  1.080
   57    61   469.000  1.400
   61    62   367.000  1.080
   61    64   469.000  1.400
   64    67   469.000  1.400
   64    69   400.000  1.490
   67    68   367.000  1.080
   67    75   469.000  1.400
   75    79   310.000  1.470
   79    80   570.000  1.229
   79    55   214.000  1.327
   69    70   656.000  1.250
   69    71   656.000  1.250
   72    76   214.000  1.327
   76    77   570.000  1.229
   76    81   317.000  1.522
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    75.00000  111.00000
   38    33    34    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34   110.00000  112.65000
   42    33    38    50.00000  109.50000
   42    43    44    70.00000  120.00000
   42    43    51    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    46    63.00000  120.00000
   43    51    49    63.00000  120.00000
   43    51    52    35.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    48    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    48    49    63.00000  120.00000
   46    48    50    70.00000  120.00000
   48    46    47    35.00000  120.00000
   48    49    51    63.00000  120.00000
   48    49    53    70.00000  120.00000
   48    50    78    70.00000  112.04700
   48    50    54    70.00000  112.04700
   48    50    55    85.00000  111.85700
   49    51    52    35.00000  120.00000
   49    53    56    85.00000  114.70000
   51    43    44    63.00000  120.00000
   53    49    51    70.00000  120.00000
   53    56    59    70.00000  120.00000
   53    56    78    70.00000  120.00000
   56    59    60    35.00000  120.00000
   56    59    63    63.00000  120.00000
   56    78    73    63.00000  120.00000
   56    78    50    70.00000  120.00000
   59    63    65    63.00000  120.00000
   59    63    72    70.00000  120.00000
   63    59    60    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    73    63.00000  120.00000
   63    72    76    85.00000  115.98000
   65    73    74    35.00000  120.00000
   65    73    78    63.00000  120.00000
   73    65    66    35.00000  120.00000
   73    78    50    70.00000  120.00000
   78    56    59    63.00000  120.00000
   78    73    74    35.00000  120.00000
   78    50    54    70.00000  112.04700
   78    50    55    85.00000  111.85700
   50    48    49    70.00000  120.00000
   50    54    57    70.00000  120.00000
   50    54    75    70.00000  120.00000
   50    55    79    83.00000  116.90000
   54    57    58    35.00000  120.00000
   54    57    61    63.00000  120.00000
   54    75    67    63.00000  120.00000
   54    75    79    60.00000  119.52600
   57    61    62    35.00000  120.00000
   57    61    64    63.00000  120.00000
   61    57    58    35.00000  120.00000
   61    64    67    63.00000  120.00000
   61    64    69    85.00000  120.00000
   64    61    62    35.00000  120.00000
   64    67    68    35.00000  120.00000
   64    67    75    63.00000  120.00000
   64    69    70    80.00000  120.40000
   64    69    71    80.00000  120.40000
   67    75    79    60.00000  119.52600
   75    54    57    63.00000  120.00000
   75    67    68    35.00000  120.00000
   75    79    80    75.00000  123.78400
   75    79    55    81.00000  111.40000
   55    50    54    85.00000  111.85700
   55    79    80    83.00000  123.40000
   69    64    67    85.00000  120.00000
   71    69    70    80.00000  126.00000
   72    63    65    70.00000  120.00000
   72    76    77    83.00000  123.40000
   72    76    81    81.00000  111.40000
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   76    81    84    35.00000  109.50000
   81    76    77    80.00000  120.40000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.14700  1.0 1.0
   29    33    42    43  -1.16150 -1.0 2.0
   29    33    42    43   0.48700  1.0 3.0
   33    42    43    44   1.63200 -1.0 2.0
   33    42    43    51   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    42    43  -0.25600  1.0 1.0
   34    33    42    43  -0.40050 -1.0 2.0
   34    33    42    43   0.34700  1.0 3.0
   38    33    42    43  -0.32850  1.0 1.0
   38    33    42    43  -0.35800 -1.0 2.0
   38    33    42    43   0.33950  1.0 3.0
   42    33    38    39   0.23400  1.0 3.0
   42    33    38    40   0.23400  1.0 3.0
   42    33    38    41   0.23400  1.0 3.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    46   3.62500 -1.0 2.0
   42    43    51    49   3.62500 -1.0 2.0
   42    43    51    52   3.62500 -1.0 2.0
   43    44    46    47   3.62500 -1.0 2.0
   43    44    46    48   3.62500 -1.0 2.0
   44    43    51    49   3.62500 -1.0 2.0
   44    43    51    52   3.62500 -1.0 2.0
   44    46   -48    49   3.62500 -1.0 2.0
   44    46    48    50   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48    49    51   3.62500 -1.0 2.0
   46    48    49    53   3.62500 -1.0 2.0
   46    48    50    78   0.04300 -1.0 2.0
   46    48    50    54   0.04300 -1.0 2.0
   46    48    50    55   0.64500  1.0 1.0
   46    48    50    55   0.14800 -1.0 2.0
   46    48    50    55   0.20650  1.0 3.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    50   3.62500 -1.0 2.0
   48    49   -51    43   3.62500 -1.0 2.0
   48    49    51    52   3.62500 -1.0 2.0
   48    49    53    56   0.47150 -1.0 2.0
   48    50    54    57   0.04300 -1.0 2.0
   48    50    54    75   0.04300 -1.0 2.0
   48    50    55    79  -0.43900 -1.0 2.0
   48    50    55    79   0.14100  1.0 3.0
   49    48    50    78   0.04300 -1.0 2.0
   49    48    50    54   0.04300 -1.0 2.0
   49    48    50    55   0.64500  1.0 1.0
   49    48    50    55   0.14800 -1.0 2.0
   49    48    50    55   0.20650  1.0 3.0
   49    53    56    59   0.47150 -1.0 2.0
   49    53   -56    78   0.47150 -1.0 2.0
   51    43    44    45   3.62500 -1.0 2.0
   51    43   -44    46   3.62500 -1.0 2.0
   51    49    53    56   0.47150 -1.0 2.0
   53    49    51    43   3.62500 -1.0 2.0
   53    49    51    52   3.62500 -1.0 2.0
   53    56    59    60   3.62500 -1.0 2.0
   53    56    59    63   3.62500 -1.0 2.0
   53    56    78    73   3.62500 -1.0 2.0
   53    56    78    50   3.62500 -1.0 2.0
   56    59    63    65   3.62500 -1.0 2.0
   56    59    63    72   3.62500 -1.0 2.0
   56    78   -50    48   0.04300 -1.0 2.0
   56    78    50    54   0.04300 -1.0 2.0
   56    78    50    55   0.64500  1.0 1.0
   56    78    50    55   0.14800 -1.0 2.0
   56    78    50    55   0.20650  1.0 3.0
   59    56    78    73   3.62500 -1.0 2.0
   59    56    78    50   3.62500 -1.0 2.0
   59    63    65    66   3.62500 -1.0 2.0
   59    63   -65    73   3.62500 -1.0 2.0
   59    63    72    76   0.01300  1.0 1.0
   59    63    72    76   0.97950 -1.0 2.0
   59    63    72    76  -0.55700  1.0 3.0
   60    59    63    65   3.62500 -1.0 2.0
   60    59    63    72   3.62500 -1.0 2.0
   63    65    73    74   3.62500 -1.0 2.0
   63    65    73    78   3.62500 -1.0 2.0
   63    72    76    77   3.00000 -1.0 2.0
   63    72    76    81   0.75600  1.0 1.0
   63    72    76    81   1.63000 -1.0 2.0
   65    63    72    76   0.01300  1.0 1.0
   65    63    72    76   0.97950 -1.0 2.0
   65    63    72    76  -0.55700  1.0 3.0
   65    73   -78    56   3.62500 -1.0 2.0
   65    73    78    50   3.62500 -1.0 2.0
   66    65    73    74   3.62500 -1.0 2.0
   66    65    73    78   3.62500 -1.0 2.0
   73    78    50    48   0.04300 -1.0 2.0
   73    78    50    54   0.04300 -1.0 2.0
   73    78    50    55   0.64500  1.0 1.0
   73    78    50    55   0.14800 -1.0 2.0
   73    78    50    55   0.20650  1.0 3.0
   74    73    78    56   3.62500 -1.0 2.0
   74    73    78    50   3.62500 -1.0 2.0
   78    56    59    60   3.62500 -1.0 2.0
   78    56   -59    63   3.62500 -1.0 2.0
   78    50    54    57   0.04300 -1.0 2.0
   78    50    54    75   0.04300 -1.0 2.0
   78    50    55    79  -0.43900 -1.0 2.0
   78    50    55    79   0.14100  1.0 3.0
   50    48    49    51   3.62500 -1.0 2.0
   50    48   -49    53   3.62500 -1.0 2.0
   50    54    57    58   3.62500 -1.0 2.0
   50    54    57    61   3.62500 -1.0 2.0
   50    54    75    67   3.62500 -1.0 2.0
   50    54   -75    79   3.62500 -1.0 2.0
   54    50   -55    79  -0.43900 -1.0 2.0
   54    50   -55    79   0.14100  1.0 3.0
   54    57    61    62   3.62500 -1.0 2.0
   54    57    61    64   3.62500 -1.0 2.0
   54    75    79    80   1.05000 -1.0 2.0
   54    75   -79    55   0.98750 -1.0 2.0
   57    54    75    67   3.62500 -1.0 2.0
   57    54    75    79   3.62500 -1.0 2.0
   57    61   -64    67   3.62500 -1.0 2.0
   57    61    64    69   3.62500 -1.0 2.0
   58    57    61    62   3.62500 -1.0 2.0
   58    57    61    64   3.62500 -1.0 2.0
   61    64    67    68   3.62500 -1.0 2.0
   61    64    67    75   3.62500 -1.0 2.0
   61    64    69    70   1.05000 -1.0 2.0
   61    64    69    71   1.05000 -1.0 2.0
   62    61    64    67   3.62500 -1.0 2.0
   62    61    64    69   3.62500 -1.0 2.0
   64    67   -75    54   3.62500 -1.0 2.0
   64    67    75    79   3.62500 -1.0 2.0
   67    64    69    70   1.05000 -1.0 2.0
   67    64    69    71   1.05000 -1.0 2.0
   67    75    79    80   1.05000 -1.0 2.0
   67    75    79    55   0.98750 -1.0 2.0
   68    67    75    54   3.62500 -1.0 2.0
   68    67    75    79   3.62500 -1.0 2.0
   75    54    57    58   3.62500 -1.0 2.0
   75    54   -57    61   3.62500 -1.0 2.0
   75    79   -55    50   0.59950  1.0 1.0
   75    79   -55    50   3.24850 -1.0 2.0
   80    79    55    50   3.00000 -1.0 2.0
   55    50    54    57   0.64500  1.0 1.0
   55    50    54    57   0.14800 -1.0 2.0
   55    50    54    57   0.20650  1.0 3.0
   55    50   -54    75   0.64500  1.0 1.0
   55    50   -54    75   0.14800 -1.0 2.0
   55    50   -54    75   0.20650  1.0 3.0
   69    64    67    68   3.62500 -1.0 2.0
   69    64    67    75   3.62500 -1.0 2.0
   72    63    65    66   3.62500 -1.0 2.0
   72    63    65    73   3.62500 -1.0 2.0
   72    76    81    82   0.00000  1.0 1.0
   72    76    81    83   0.00000  1.0 1.0
   72    76    81    84   0.00000  1.0 1.0
   77    76    81    82   0.00000  1.0 1.0
   77    76    81    83   0.00000  1.0 1.0
   77    76    81    84   0.00000  1.0 1.0
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
   36    30    35    37  10.50000 -1.0 2.0
   44    51    43    42   4.00000 -1.0 2.0
   46    45    44    43   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   49    50    48    46   4.00000 -1.0 2.0
   51    53    49    48   4.00000 -1.0 2.0
   49    52    51    43   1.10000 -1.0 2.0
   59    78    56    53   4.00000 -1.0 2.0
   63    60    59    56   1.10000 -1.0 2.0
   65    72    63    59   4.00000 -1.0 2.0
   73    66    65    63   1.10000 -1.0 2.0
   78    74    73    65   1.10000 -1.0 2.0
   73    50    78    56   4.00000 -1.0 2.0
   57    75    54    50   4.00000 -1.0 2.0
   61    58    57    54   1.10000 -1.0 2.0
   64    62    61    57   1.10000 -1.0 2.0
   67    69    64    61   4.00000 -1.0 2.0
   75    68    67    64   1.10000 -1.0 2.0
   67    79    75    54   4.00000 -1.0 2.0
   75    55    79    80  10.50000 -1.0 2.0
   70    64    69    71  10.50000 -1.0 2.0
   72    81    76    77  10.50000 -1.0 2.0
END
