* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    147    221     419
    1     0 S   NP   _N1_     1    28.53540    99.74988   -17.04106
    2     1 S   H    _HN1     2     1.02958    53.97757   110.80226
    3     1 S   H    _H1_     3     1.02793   107.49012  -149.60159
    4     1 S   H    _H2_     4     1.02859    55.81163   -49.10418
    5     1 S   CT   _CA1     5     1.50572   140.38897    33.19999
    6     5 S   HC   _HA1     6     1.09651   104.51570   120.54732
    7     5 S   CO3  _C1_     7     1.54209   110.75036     4.76456
    8     7 S   O2Z  _O11     8     1.25977   116.73906  -116.60447
    9     7 S   O2Z  _O12     9     1.26580   113.69067    62.07644
   10     5 S   CT   _CB1    10     1.53016   106.95487  -123.66872
   11    10 S   HC   HB11    11     1.09856   109.53632   -43.79777
   12    10 S   HC   HB12    12     1.09775   110.37743    72.72135
   13    10 S   CT   _CG1    13     1.53116   112.64076  -164.39523
   14    13 S   HC   HG11    14     1.09464   111.07544   -66.03388
   15    13 S   HC   HG12    15     1.09673   109.75707    53.25409
   16    13 S   C    _CD1    16     1.51853   111.66455   173.58892
   17    16 S   O    _OE1    17     1.22807   123.14289    11.92433
   18    16 S   N    _N2_    18     1.38469   112.05849  -168.20859
   19    18 S   H    _HN2    19     1.01580   119.17559     2.30231
   20    18 S   CT1  _CA2    20     1.45865   122.58422   176.44686
   21    20 S   HC   _HA2    21     1.09723   108.85445    30.19455
   22    20 S   C    _C2_    22     1.53016   106.97778   -86.93518
   23    22 S   O    _O2_    23     1.22984   123.11704   -27.15925
   24    20 S   CT   _CB2    32     1.53056   112.20687   153.73317
   25    24 S   HC   HB21    33     1.09477   109.50446    54.06410
   26    24 S   HC   HB22    34     1.09523   110.47095   172.25534
   27    22 S   N    _N3_    24     1.38518   112.52711   155.55964
   28    27 S   H    _HN3    25     1.01653   120.32391    -2.13093
   29    24 S   S    _SG2    35     1.82762   111.21235   -68.32576
   30    27 S   CT   _CA3    26     1.45345   122.48368   178.58916
   31    30 S   HC   HA31    27     1.09568   107.80544   -55.69621
   32    30 S   HC   HA32    28     1.09562   107.61348    60.63256
   33    29 S   CT   _C23    36     1.84943   100.73324   150.29471
   34    33 S   OM   _O36    37     1.31888   110.29216   176.85440
   35    30 S   CO3  _C3_    29     1.52887   114.33427  -177.62084
   36    35 S   O2Z  _O31    30     1.26335   116.07126    -0.65611
   37    35 S   O2Z  _O32    31     1.26438   114.40765   179.31357
   38    33 S   CT   _C24    38     1.54596   107.88172    61.71241
   39    38 S   HC   _H21    39     1.09669   111.66214   -66.60415
   40    38 S   HC   _H22    40     1.10007   111.19239   176.91415
   41    38 S   HC   _H23    41     1.09823   113.22063    55.92727
   42    33 S   OS   _O35    42     1.44885   114.24280   -54.31613
   43    42 S   CA   _C9_    43     1.37061   122.73634   -52.00079
   44    43 S   CA   _C8_    44     1.39116   126.04620   -27.79704
   45    44 S   HA   _H9_    45     1.08496   121.71257     0.57573
   46    44 S   CA   _C7_    46     1.40007   121.13505  -178.33211
   47    46 S   HA   _H8_    47     1.08547   119.87684   179.27019
   48    46 S   C56A _C6_    48     1.40332   118.59349    -0.16551
   49    48 S   C56B _C11    49     1.39419   121.64294    -0.20558
   50    43 S   CA   _C10    50     1.40292   114.36901   153.99228
   51    50 S   HA   _H10    51     1.08735   119.65652    -1.21063
   52    49 S   C5B  _C12    52     1.42970   107.58004  -179.39219
   53    52 S   C5A  _C13    53     1.39050   107.50197    -1.02240
   54    52 S   CT   _C22    79     1.48957   126.04780   179.69674
   55    54 S   HC   _H18    80     1.09460   110.13162    94.71557
   56    54 S   HC   _H19    81     1.09475   111.19192  -145.03032
   57    54 S   HC   _H20    82     1.09443   111.32553   -25.41261
   58    53 S   CA   _C14    54     1.46368   128.40932  -178.17083
   59    48 S   NA   _N4_    71     1.38261   131.16822   178.33811
   60    58 S   CA   _C15    55     1.40276   120.33876  -104.05898
   61    60 S   HA   _H11    56     1.08683   120.47846    -0.47271
   62    59 S   CT   _C5_    72     1.45740   123.96659    -2.82459
   63    62 S   HC   _H6_    73     1.09439   108.03821    35.76424
   64    62 S   HC   _H7_    74     1.09281   108.75798   151.19556
   65    60 S   CA   _C16    57     1.39426   120.32077   179.60336
   66    65 S   HA   _H12    58     1.08560   120.11081  -179.93744
   67    62 S   CT   _C4_    75     1.51930   112.29311   -86.39151
   68    67 S   HC   _H3_    76     1.09477   111.28223   -60.10719
   69    67 S   HC   _H4_    77     1.09434   110.22335   179.94065
   70    67 S   HC   _H5_    78     1.09495   111.27737    60.02058
   71    65 S   CA   _C17    59     1.39333   119.11668     0.20558
   72    71 S   CA   _C18    60     1.39382   121.48292    -1.40388
   73    72 S   HA   _H13    61     1.08562   120.76870  -178.66763
   74    71 S   OS   _O33    64     1.39658   118.98763  -178.26799
   75    58 S   CA   _C19    62     1.40283   120.00913    74.68525
   76    75 S   HA   _H14    63     1.08754   120.50309     0.54176
   77    74 S   CO4  _C20    65     1.39017   112.84542   -95.71642
   78    77 S   O    _O34    66     1.22374   127.14037     0.11869
   79    77 S   CT   _C21    67     1.49994   108.66270  -179.92087
   80    79 S   HC   _H15    68     1.09286   109.82564   -61.05350
   81    79 S   HC   _H16    69     1.09380   109.32412   179.91377
   82    79 S   HC   _H17    70     1.09287   109.82636    60.89727
  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
