* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    147    221     419
    1     0 S   NP   _N1_     1    36.07178    85.63048   -25.46145
    2     1 S   H    _HN1     2     1.02960   135.04050    57.39052
    3     1 S   H    _H1_     3     1.02832    60.68377   -27.53766
    4     1 S   H    _H2_     4     1.02766   116.48421  -124.14090
    5     1 S   CT   _CA1     5     1.50179    51.44271   137.49062
    6     5 S   HC   _HA1     6     1.09571   105.21742    44.45861
    7     5 S   CO3  _C1_     7     1.53789   112.30793   -75.62112
    8     7 S   O2Z  _O11     8     1.26366   114.97716   -40.71000
    9     7 S   O2Z  _O12     9     1.26235   114.96313   138.23832
   10     5 S   CT   _CB1    10     1.53040   107.37354   162.33313
   11    10 S   HC   HB11    11     1.09819   109.31029   -50.64181
   12    10 S   HC   HB12    12     1.09688   110.26755    65.77888
   13    10 S   CT   _CG1    13     1.53009   112.90223  -171.93016
   14    13 S   HC   HG11    14     1.09592   110.38786   -64.07074
   15    13 S   HC   HG12    15     1.09636   110.06479    55.22018
   16    13 S   C    _CD1    16     1.51797   112.23329   175.52377
   17    16 S   O    _OE1    17     1.22763   123.23230    -4.54291
   18    16 S   N    _N2_    18     1.38616   111.80361   175.88786
   19    18 S   H    _HN2    19     1.01534   119.33899     4.07400
   20    18 S   CT1  _CA2    20     1.45708   122.59835  -178.34755
   21    20 S   HC   _HA2    21     1.09232   108.28571    29.76920
   22    20 S   C    _C2_    22     1.52923   107.54644   -86.57765
   23    22 S   O    _O2_    23     1.22966   123.11022   -28.30263
   24    20 S   CT   _CB2    32     1.53295   112.84413   153.26730
   25    24 S   HC   HB21    33     1.09703   109.08293    63.52139
   26    24 S   HC   HB22    34     1.09275   110.66280   179.62570
   27    22 S   N    _N3_    24     1.38543   112.43394   154.41835
   28    27 S   H    _HN3    25     1.01679   120.27108    -2.29448
   29    24 S   S    _SG2    35     1.82951   114.02732   -54.42484
   30    27 S   CT   _CA3    26     1.45315   122.49362   178.73221
   31    30 S   HC   HA31    27     1.09568   107.72964   -57.13201
   32    30 S   HC   HA32    28     1.09563   107.67468    59.17864
   33    29 S   CT   _C23    36     1.84891   102.84881   -94.94840
   34    33 S   OM   _O36    37     1.32042   109.88677   175.73364
   35    30 S   CO3  _C3_    29     1.52883   114.36166  -179.06288
   36    35 S   O2Z  _O31    30     1.26327   116.11056    -2.07971
   37    35 S   O2Z  _O32    31     1.26448   114.39233   177.92434
   38    33 S   CT   _C24    38     1.54712   107.54324   -70.06082
   39    38 S   HC   _H21    39     1.09563   111.96581    67.30501
   40    38 S   HC   _H22    40     1.09839   113.26183   -55.38451
   41    38 S   HC   _H23    41     1.10029   111.11557  -176.23829
   42    33 S   OS   _O35    42     1.44453   114.99099    46.19742
   43    42 S   CA   _C9_    43     1.36925   124.20080    67.28455
   44    43 S   CA   _C8_    44     1.39641   114.03367   178.69119
   45    44 S   HA   _H9_    45     1.08851   119.65879    -1.73607
   46    44 S   CA   _C7_    46     1.39816   121.72183   177.51470
   47    46 S   HA   _H8_    47     1.08486   120.14223  -179.71061
   48    46 S   C56A _C6_    48     1.40249   118.09306    -0.56614
   49    48 S   C56B _C11    49     1.39383   121.64758     1.18844
   50    43 S   CA   _C10    50     1.39812   126.57361    -3.14460
   51    50 S   HA   _H10    51     1.08322   122.02914     2.11766
   52    49 S   C5B  _C12    52     1.43020   107.65707  -179.87489
   53    52 S   C5A  _C13    53     1.38996   107.48696     0.50163
   54    52 S   CT   _C22    79     1.48980   125.16939   179.75451
   55    54 S   HC   _H18    80     1.09476   110.14924    66.07057
   56    54 S   HC   _H19    81     1.09360   112.15086  -173.67957
   57    54 S   HC   _H20    82     1.09497   110.37761   -53.59473
   58    53 S   CA   _C14    54     1.46317   128.57573   179.33119
   59    48 S   NA   _N4_    71     1.38264   131.25453  -178.91016
   60    58 S   CA   _C15    55     1.40341   120.17238  -101.26135
   61    60 S   HA   _H11    56     1.08738   120.38633    -0.73195
   62    59 S   CT   _C5_    72     1.45737   123.94354    -1.12865
   63    62 S   HC   _H6_    73     1.09509   108.04861    34.40694
   64    62 S   HC   _H7_    74     1.09353   108.79904   149.47288
   65    60 S   CA   _C16    57     1.39400   120.29945   179.39413
   66    65 S   HA   _H12    58     1.08548   120.19931  -179.96044
   67    62 S   CT   _C4_    75     1.51902   112.25694   -87.88774
   68    67 S   HC   _H3_    76     1.09478   111.27708   -60.15773
   69    67 S   HC   _H4_    77     1.09434   110.24281   179.88465
   70    67 S   HC   _H5_    78     1.09498   111.25853    59.95298
   71    65 S   CA   _C17    59     1.39368   119.07176     0.35054
   72    71 S   CA   _C18    60     1.39378   121.52245    -1.43981
   73    72 S   HA   _H13    61     1.08569   120.75632  -178.68300
   74    71 S   OS   _O33    64     1.39648   119.26814  -178.49182
   75    58 S   CA   _C19    62     1.40238   120.10756    77.43799
   76    75 S   HA   _H14    63     1.08753   120.50297     0.52823
   77    74 S   CO4  _C20    65     1.39023   112.72620   -90.48170
   78    77 S   O    _O34    66     1.22381   127.10600     0.20653
   79    77 S   CT   _C21    67     1.49992   108.67965  -179.84423
   80    79 S   HC   _H15    68     1.09286   109.82350   -61.08693
   81    79 S   HC   _H16    69     1.09379   109.32397   179.87967
   82    79 S   HC   _H17    70     1.09286   109.82638    60.86174
  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   8   3  12
  11   5   1  10  16   5   2   1   1  11   9   8   4   6   5   4
   7   3   3   2   1   1   8   5   3   7   1   1   5   4   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    50  
   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    50    51  
   44    45    46    47    48    49    50    51    52  
   45    46    47    48    49    50    51    59  
   46    47    48    50  
   47    48    49    50    52    53    59    62  
   48    49    59  
   49    50    51    52    53    58    59    62    63    64    67    54  
   50    51    52    53    58    59    62    54    55    56    57  
   51    52    53    59    54  
   52  
   53    58    60    75    59    62    54    55    56    57  
   58    60    61    65    72    75    76    59    62    63    64    67    54    55    56    57  
   55    56    57    58    59  
   56    57  
   57  
    0  
   60    61    65    66    71    72    73    75    76    59    62  
   62    63    64    67    68    69    70    60    75  
   61    65    66    71    72    75    76    74  
   65    66    71    75  
   63    64    67    68    69    70  
   64    67    68    69    70  
   67    68    69    70  
   66    71    72    73    75    74    77  
   71    72    74  
   68    69    70  
   69    70  
   70  
    0  
   72    73    75    76    74    77    78    79  
   73    75    76    74    77  
   75    76    74  
   77    78    79    80    81    82    75  
   76  
    0  
   78    79    80    81    82  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.571400   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  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700   0.026700   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.085700   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660  -0.124100   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.2500   0.1700  -0.243400   1.8650   1.6500   0.001000000  -0.511443539
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   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    50   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   447.000  1.419
   48    59   428.000  1.380
   49    50   469.000  1.404
   49    52   380.000  1.440
   50    51   367.000  1.080
   52    53   520.000  1.370
   52    54   295.000  1.494
   53    58   365.000  1.450
   53    59   427.000  1.381
   58    60   469.000  1.400
   58    75   469.000  1.400
   60    61   367.000  1.080
   60    65   469.000  1.400
   65    66   367.000  1.080
   65    71   469.000  1.400
   71    72   469.000  1.400
   71    74   450.000  1.364
   72    73   367.000  1.080
   72    75   469.000  1.400
   75    76   367.000  1.080
   74    77   214.000  1.327
   77    78   570.000  1.229
   77    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   59    62   320.000  1.443
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    50    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    46    63.00000  120.00000
   43    50    49    63.00000  120.00000
   43    50    51    35.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    48    85.00000  120.00000
   46    44    45    35.00000  120.00000
   46    48    49    85.00000  122.70000
   46    48    59    70.00000  132.80000
   48    46    47    35.00000  120.00000
   48    49    50    85.00000  116.20000
   48    49    52    80.00000  107.43600
   48    59    53    90.00000  107.14200
   48    59    62    65.00000  128.16600
   49    50    51    35.00000  120.00000
   49    52    53    80.00000  105.82900
   49    52    54    55.00000  128.73000
   50    43    44    63.00000  120.00000
   52    49    50    50.00000  134.85500
   52    53    58    55.00000  129.85000
   52    53    59    70.00000  106.30000
   52    54    55    45.00000  111.11700
   52    54    56    45.00000  111.11700
   52    54    57    45.00000  111.11700
   53    58    60    65.00000  121.65900
   53    58    75    65.00000  121.65900
   53    59    62    65.00000  127.50000
   58    60    61    35.00000  120.00000
   58    60    65    63.00000  120.00000
   58    75    72    63.00000  120.00000
   58    75    76    35.00000  120.00000
   60    65    66    35.00000  120.00000
   60    65    71    63.00000  120.00000
   65    60    61    35.00000  120.00000
   65    71    72    63.00000  120.00000
   65    71    74    70.00000  120.00000
   71    65    66    35.00000  120.00000
   71    72    73    35.00000  120.00000
   71    72    75    63.00000  120.00000
   71    74    77    85.00000  115.98000
   72    75    76    35.00000  120.00000
   75    58    60    63.00000  120.00000
   75    72    73    35.00000  120.00000
   74    71    72    70.00000  120.00000
   74    77    78    83.00000  123.40000
   74    77    79    81.00000  111.40000
   77    79    80    35.00000  109.50000
   77    79    81    35.00000  109.50000
   77    79    82    35.00000  109.50000
   79    77    78    80.00000  120.40000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   59    48    49    70.00000  104.40000
   59    53    58    75.00000  120.22300
   59    62    63    50.00000  108.61900
   59    62    64    50.00000  108.61900
   59    62    67    75.00000  111.19500
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    70    37.50000  110.70000
   64    62    63    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    64    37.50000  110.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   54    52    53    55.00000  127.77900
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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    50   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    50    49   3.62500 -1.0 2.0
   42    43    50    51   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    50    49   3.62500 -1.0 2.0
   44    43    50    51   3.62500 -1.0 2.0
   44    46   -48    49   3.62500 -1.0 2.0
   44    46    48    59   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    50   3.00000 -1.0 2.0
   46    48    49    52   3.00000 -1.0 2.0
   46    48    59    53   3.62500 -1.0 2.0
   46    48    59    62   3.62500 -1.0 2.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    59   3.62500 -1.0 2.0
   48    49   -50    43   3.50000 -1.0 2.0
   48    49    50    51   3.50000 -1.0 2.0
   48    49   -52    53   3.50000 -1.0 2.0
   48    49    52    54   3.62500 -1.0 2.0
   48    59    62    63   0.00000  1.0 1.0
   48    59    62    64   0.00000  1.0 1.0
   48    59    62    67   1.10250  1.0 1.0
   48    59    62    67   0.01650 -1.0 2.0
   48    59    62    67   0.39100  1.0 3.0
   49    48   -59    53   3.62500 -1.0 2.0
   49    48    59    62   3.62500 -1.0 2.0
   49    52    53    58   3.62500 -1.0 2.0
   49    52   -53    59   3.62500 -1.0 2.0
   49    52    54    55   0.00000  1.0 1.0
   49    52    54    56   0.00000  1.0 1.0
   49    52    54    57   0.00000  1.0 1.0
   50    43    44    45   3.62500 -1.0 2.0
   50    43   -44    46   3.62500 -1.0 2.0
   50    49    52    53   3.62500 -1.0 2.0
   50    49    52    54   3.62500 -1.0 2.0
   52    49    50    43   3.62500 -1.0 2.0
   52    49    50    51   3.62500 -1.0 2.0
   52    53    58    60  -0.19450  1.0 1.0
   52    53    58    60   0.63300 -1.0 2.0
   52    53    58    60   0.07450  1.0 3.0
   52    53    58    75  -0.19450  1.0 1.0
   52    53    58    75   0.63300 -1.0 2.0
   52    53    58    75   0.07450  1.0 3.0
   52    53   -59    48   3.62500 -1.0 2.0
   52    53    59    62   3.62500 -1.0 2.0
   53    52    54    55   0.00000  1.0 1.0
   53    52    54    56   0.00000  1.0 1.0
   53    52    54    57   0.00000  1.0 1.0
   53    58    60    61   3.62500 -1.0 2.0
   53    58    60    65   3.62500 -1.0 2.0
   53    58    75    72   3.62500 -1.0 2.0
   53    58    75    76   3.62500 -1.0 2.0
   53    59    62    63   0.00000  1.0 1.0
   53    59    62    64   0.00000  1.0 1.0
   53    59    62    67   1.10250  1.0 1.0
   53    59    62    67   0.01650 -1.0 2.0
   53    59    62    67   0.39100  1.0 3.0
   58    53    59    48   3.62500 -1.0 2.0
   58    53    59    62   3.62500 -1.0 2.0
   58    60    65    66   3.62500 -1.0 2.0
   58    60    65    71   3.62500 -1.0 2.0
   60    58    75    72   3.62500 -1.0 2.0
   60    58    75    76   3.62500 -1.0 2.0
   60    65   -71    72   3.62500 -1.0 2.0
   60    65    71    74   3.62500 -1.0 2.0
   61    60    65    66   3.62500 -1.0 2.0
   61    60    65    71   3.62500 -1.0 2.0
   65    71    72    73   3.62500 -1.0 2.0
   65    71    72    75   3.62500 -1.0 2.0
   65    71    74    77   0.01300  1.0 1.0
   65    71    74    77   0.97950 -1.0 2.0
   65    71    74    77  -0.55700  1.0 3.0
   66    65    71    72   3.62500 -1.0 2.0
   66    65    71    74   3.62500 -1.0 2.0
   71    72   -75    58   3.62500 -1.0 2.0
   71    72    75    76   3.62500 -1.0 2.0
   71    74    77    78   3.00000 -1.0 2.0
   71    74    77    79   0.75600  1.0 1.0
   71    74    77    79   1.63000 -1.0 2.0
   72    71    74    77   0.01300  1.0 1.0
   72    71    74    77   0.97950 -1.0 2.0
   72    71    74    77  -0.55700  1.0 3.0
   73    72    75    58   3.62500 -1.0 2.0
   73    72    75    76   3.62500 -1.0 2.0
   75    58    60    61   3.62500 -1.0 2.0
   75    58   -60    65   3.62500 -1.0 2.0
   74    71    72    73   3.62500 -1.0 2.0
   74    71    72    75   3.62500 -1.0 2.0
   74    77    79    80   0.00000  1.0 1.0
   74    77    79    81   0.00000  1.0 1.0
   74    77    79    82   0.00000  1.0 1.0
   78    77    79    80   0.00000  1.0 1.0
   78    77    79    81   0.00000  1.0 1.0
   78    77    79    82   0.00000  1.0 1.0
   59    48    49    50   3.00000 -1.0 2.0
   59    48   -49    52   3.00000 -1.0 2.0
   59    53    58    60  -0.20000  1.0 1.0
   59    53    58    60   0.58050 -1.0 2.0
   59    53    58    75  -0.20000  1.0 1.0
   59    53    58    75   0.58050 -1.0 2.0
   59    62    67    68   0.15000  1.0 3.0
   59    62    67    69   0.15000  1.0 3.0
   59    62    67    70   0.15000  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    70   0.15000  1.0 3.0
   64    62    67    68   0.15000  1.0 3.0
   64    62    67    69   0.15000  1.0 3.0
   64    62    67    70   0.15000  1.0 3.0
   54    52    53    58   3.62500 -1.0 2.0
   54    52    53    59   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   44    50    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    59    48    46   4.00000 -1.0 2.0
   50    52    49    48   4.00000 -1.0 2.0
   49    51    50    43   1.10000 -1.0 2.0
   53    54    52    49   4.00000 -1.0 2.0
   58    59    53    52   4.00000 -1.0 2.0
   60    75    58    53   4.00000 -1.0 2.0
   65    61    60    58   1.10000 -1.0 2.0
   71    66    65    60   1.10000 -1.0 2.0
   72    74    71    65   4.00000 -1.0 2.0
   75    73    72    71   1.10000 -1.0 2.0
   72    76    75    58   1.10000 -1.0 2.0
   74    79    77    78  10.50000 -1.0 2.0
   53    62    59    48   4.00000 -1.0 2.0
END
