* LIGAND DATABASE FILE (OPLS2005)
*
001      85    88    159    246     460
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02060   106.09689   -24.29581
    3     1 S   H    _H1_     3     1.02064    62.12340    78.65579
    4     1 S   H    _H2_     4     1.02141    50.16437  -125.42868
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08611   110.49349    58.87219
   26    24 S   HC   HB22    34     1.08603   109.84388   179.00397
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   S    _S30    36     2.05030   101.86429   159.99375
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C16    37     1.83558   101.01324  -120.00433
   38    37 S   C    _C11    38     1.53450   108.01894   -60.01371
   39    38 S   O    _O23    39     1.23174   121.98546    71.07483
   40    37 S   N    _N21    73     1.48897   111.72454   176.87557
   41    37 S   CT   _C17    82     1.54441   106.46613    54.01912
   42    41 S   HC   _H35    83     1.08287   108.94208    64.95066
   43    41 S   HC   _H36    84     1.08229   109.00180   -55.13293
   44    41 S   HC   _H37    85     1.08375   108.90802  -175.11452
   45    38 S   N    _N20    40     1.38412   114.55731  -107.77912
   46    40 S   CT   _C19    74     1.46362   118.58619   -85.39256
   47    46 S   HC   _H41    75     1.09322   110.10767  -101.54451
   48    46 S   HC   _H42    76     1.09337   110.23799   138.50226
   49    46 S   HC   _H43    77     1.09284   110.29435    18.48776
   50    45 S   CP1  _C13    41     1.46779   122.94246  -165.35866
   51    50 S   HC   _H34    42     1.09828   109.46060   -48.34295
   52    50 S   CT   _C14    43     1.55446   104.89947  -169.66460
   53    50 S   NE   _N19    52     1.47241   112.96820    75.38461
   54    52 S   CA   _C5_    44     1.49420   101.78527  -139.81215
   55    53 S   CT   _C18    53     1.44576   123.53277   -77.52440
   56    55 S   HC   _H38    54     1.09323   110.05938    37.17544
   57    55 S   HC   _H39    55     1.09242   110.20490   -82.84027
   58    55 S   HC   _H40    56     1.09339   110.19081   157.12123
   59    52 S   CT   _C12    67     1.54830   104.46065   -18.30678
   60    59 S   HC   _H33    68     1.09622   112.14680   155.04833
   61    52 S   OH   _O25    80     1.41723   110.56476   103.11978
   62    61 S   HO   _H51    81     0.97180   106.96473    51.81018
   63    54 S   CA   _C4_    45     1.38738   128.65407  -168.65568
   64    63 S   HA   _H32    46     1.08551   120.33903     0.84788
   65    45 S   CT   _C15    69     1.46407   122.93677    28.55515
   66    65 S   SM   _S29    70     1.84857   114.78226    71.64952
   67    59 S   OH   _O24    78     1.43202   110.61233   -85.08830
   68    67 S   HO   _H50    79     0.96805   106.14393  -179.96044
   69    63 S   CA   _C9_    47     1.39328   118.18511  -178.90353
   70    69 S   Cl   CL31    48     1.72587   118.71044  -179.90309
   71    65 S   C    _C10    71     1.52649   109.63511   -50.07554
   72    71 S   O    _O22    72     1.23411   120.63559  -157.94799
   73    69 S   CA   _C8_    49     1.40057   120.37864     0.25793
   74    73 S   CA   _C7_    50     1.39907   120.77787     0.01978
   75    73 S   OS   _O27    62     1.36746   120.16736   179.83098
   76    54 S   CA   _C6_    51     1.40100   109.20860    12.52982
   77    74 S   OS   _O26    57     1.36110   118.63577   179.51382
   78    75 S   CT   _C21    63     1.42328   116.87519    90.16084
   79    78 S   HC   _H47    64     1.09242   109.54192  -179.95154
   80    78 S   HC   _H48    65     1.09326   109.54940    59.22757
   81    78 S   HC   _H49    66     1.09283   109.04982   -60.34701
   82    77 S   CT   _C20    58     1.42676   117.07021   -89.80059
   83    82 S   HC   _H44    59     1.09265   109.51466  -180.00000
   84    82 S   HC   _H45    60     1.09266   109.55787    59.25053
   85    82 S   HC   _H46    61     1.09209   109.01831   -60.41934
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
  11   2   1   1  16  16   5  14   6   2   1   1  15   6   3   2
   1  19   8  17  13  15   5   3   2   1  11   6   5   1   7   4
   5   3   2   1   7   3   1   1   9   8   6   2   4   3   2   1
   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    45    71    40    46    41    42    43    44  
   35    36  
   36  
    0  
   38    39    45    50    65    71    72    40    46    47    48    49    41    42    43    44  
   39    45    50    51    52    53    59    65    66    71    40    46    41    42    43    44  
   45    50    65    40    41  
   46    47    48    49    41    42    43    44    45    59    65    66    71    72  
   42    43    44    45    46    71  
   43    44  
   44  
    0  
   50    51    52    54    76    53    55    59    60    65    66    71    72    67    61  
   47    48    49    65    71    72  
   48    49    71  
   49    71  
   71  
   51    52    54    63    74    76    53    55    56    57    58    59    60    65    66    71    67    61    62  
   52    54    76    53    55    59    65    61  
   54    63    64    69    74    76    53    55    59    60    65    66    71    67    68    61    62  
   55    56    57    58    77    59    65    61    54    63    73    74    76  
   63    64    69    70    73    74    76    55    77    59    60    65    67    61    62  
   56    57    58    74    76  
   57    58    76  
   58    76  
   76  
   60    65    66    71    72    67    68    61    62    63    76  
   65    66    71    67    68    61  
   62    63    65    67    76  
    0  
   64    69    70    73    74    76    75  
   69    70    73    76  
   66    71    72    67    68  
   71    72    67  
   68    71  
    0  
   70    73    74    76    77    75    78  
   73    74    75  
   72  
    0  
   74    76    77    82    75    78    79    80    81  
   76    77    82    83    84    85    75    78  
   78    79    80    81    76    77  
   77    82  
   82    83    84    85  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.097500   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  -0.217500   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   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.340000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   40   3.2500   0.1700  -0.192500   1.8100   1.6000   0.054801302  -1.445846770
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.2500   0.1700  -0.192500   1.8100   1.6000   0.054801302  -1.445846770
   46   3.5000   0.0660  -0.110000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.132500   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660   0.380000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.3000   0.1700  -0.542500   1.9050   1.6860   0.051222218  -2.220205820
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5000   0.0660   0.022500   1.9750   1.7500   0.005000000  -0.741685710
   66   3.6000   0.3550  -0.900000   2.0300   1.8000   0.025682759  -1.666211680
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   71   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   75   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   77   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   166.000  2.038
   33    37   222.000  1.810
   37    38   317.000  1.522
   37    40   337.000  1.449
   37    41   268.000  1.529
   38    39   570.000  1.229
   38    45   490.000  1.335
   45    50   337.000  1.449
   45    65   337.000  1.449
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    53   382.000  1.448
   52    54   317.000  1.510
   52    59   268.000  1.529
   52    61   320.000  1.410
   54    63   469.000  1.400
   54    76   469.000  1.400
   63    64   367.000  1.080
   63    69   469.000  1.400
   69    70   300.000  1.725
   69    73   469.000  1.400
   73    74   469.000  1.400
   73    75   450.000  1.364
   74    76   469.000  1.400
   74    77   450.000  1.364
   76    53   481.000  1.340
   53    55   382.000  1.448
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   77    82   320.000  1.410
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   75    78   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   59    60   340.000  1.090
   59    65   268.000  1.529
   59    67   320.000  1.410
   65    66   222.000  1.810
   65    71   317.000  1.522
   71    72   570.000  1.229
   71    40   490.000  1.335
   40    46   337.000  1.449
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   67    68   553.000  0.945
   61    62   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    68.00000  103.70000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    68.00000  103.70000
   33    37    38    70.00000  112.33000
   33    37    40    80.00000  108.62000
   33    37    41    75.00000  111.63000
   37    38    39    80.00000  120.40000
   37    38    45    70.00000  116.60000
   37    40    71    50.00000  121.90000
   37    40    46    50.00000  118.00000
   37    41    42    37.50000  110.70000
   37    41    43    37.50000  110.70000
   37    41    44    37.50000  110.70000
   38    45    50    50.00000  121.90000
   38    45    65    50.00000  121.90000
   45    38    39    80.00000  122.90000
   45    50    51    35.00000  109.50000
   45    50    52    80.00000  109.70000
   45    50    53    90.00000  107.82800
   45    65    59    70.00000  110.72300
   45    65    66    80.00000  108.62000
   45    65    71    75.00000  110.24000
   50    52    54    70.00000  112.17500
   50    52    59    58.35000  112.70000
   50    52    61    50.00000  109.50000
   50    53    76    50.00000  120.00000
   50    53    55    50.00000  115.00000
   52    50    51    37.50000  110.70000
   52    54    63    70.00000  120.00000
   52    54    76    70.00000  120.00000
   52    59    60    37.50000  110.70000
   52    59    65    58.35000  112.70000
   52    59    67    50.00000  109.50000
   52    61    62    55.00000  108.50000
   54    63    64    35.00000  120.00000
   54    63    69    63.00000  120.00000
   54    76    74    63.00000  120.00000
   54    76    53    70.00000  120.10000
   63    69    70    75.00000  120.00000
   63    69    73    63.00000  120.00000
   69    63    64    35.00000  120.00000
   69    73    74    63.00000  120.00000
   69    73    75    70.00000  120.00000
   73    69    70    75.00000  120.00000
   73    74    76    63.00000  120.00000
   73    74    77    70.00000  120.00000
   73    75    78    75.00000  111.00000
   74    76    53    70.00000  120.10000
   74    77    82    75.00000  111.00000
   76    54    63    63.00000  120.00000
   76    53    55    50.00000  120.00000
   53    50    51    35.00000  109.50000
   53    50    52    80.00000  111.61500
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   53    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   77    74    76    70.00000  120.00000
   77    82    83    35.00000  109.50000
   77    82    84    35.00000  109.50000
   77    82    85    35.00000  109.50000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   75    73    74    70.00000  120.00000
   75    78    79    35.00000  109.50000
   75    78    80    35.00000  109.50000
   75    78    81    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   59    52    54    70.00000  112.17500
   59    65    66    75.00000  111.63000
   59    65    71    63.00000  111.10000
   59    67    68    55.00000  108.50000
   65    45    50    50.00000  118.00000
   65    59    60    37.50000  110.70000
   65    71    72    80.00000  120.40000
   65    71    40    70.00000  116.60000
   71    65    66    70.00000  112.33000
   71    40    46    50.00000  121.90000
   40    37    38    75.00000  110.24000
   40    71    72    80.00000  122.90000
   40    46    47    35.00000  109.50000
   40    46    48    35.00000  109.50000
   40    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   67    59    60    35.00000  109.50000
   67    59    65    50.00000  109.50000
   61    52    54    90.00000  112.51600
   61    52    59    50.00000  109.50000
   41    37    38    63.00000  111.10000
   41    37    40    70.00000  110.72300
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    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   0.97050  1.0 1.0
   20    24    29    33  -0.41800 -1.0 2.0
   20    24    29    33   0.46750  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -3.49700 -1.0 2.0
   24    29    33    37   0.74750  1.0 3.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.09450  1.0 1.0
   29    33    37    38  -0.17100 -1.0 2.0
   29    33    37    38   0.39050  1.0 3.0
   29    33    37    40   0.00000  1.0 1.0
   29    33    37    41   0.09450  1.0 1.0
   29    33    37    41  -0.17100 -1.0 2.0
   29    33    37    41   0.39100  1.0 3.0
   33    37    38    39   0.30150 -1.0 2.0
   33    37    38    45   0.00000  1.0 1.0
   33    37    40    71  -0.42300  1.0 1.0
   33    37    40    71  -0.07000 -1.0 2.0
   33    37    40    71   0.04150  1.0 3.0
   33    37    40    46   0.17850 -1.0 2.0
   33    37    41    42   0.15000  1.0 3.0
   33    37    41    43   0.15000  1.0 3.0
   33    37    41    44   0.15000  1.0 3.0
   37    38    45    50   1.15000  1.0 1.0
   37    38    45    50   3.04450 -1.0 2.0
   37    38    45    65   1.49850  1.0 1.0
   37    38    45    65   1.53950 -1.0 2.0
   37    40    46    47   0.00000  1.0 1.0
   37    40    46    48   0.00000  1.0 1.0
   37    40    46    49   0.00000  1.0 1.0
   38    37    40    71  -0.42300  1.0 1.0
   38    37    40    71  -0.07000 -1.0 2.0
   38    37    40    71   0.04150  1.0 3.0
   38    37    40    46   0.17850 -1.0 2.0
   38    37    41    42  -0.11250  1.0 3.0
   38    37    41    43  -0.11250  1.0 3.0
   38    37    41    44  -0.11250  1.0 3.0
   38    45    50    51   0.00000  1.0 1.0
   38    45    50    52   0.25950  1.0 1.0
   38    45    50    52   0.43850 -1.0 2.0
   38    45    50    52   2.61650  1.0 3.0
   38    45    50    53  -0.50000 -1.0 2.0
   38    45    65    59  -0.43950  1.0 1.0
   38    45    65    59  -0.08100 -1.0 2.0
   38    45    65    59   0.03350  1.0 3.0
   38    45    65    66  -0.42300  1.0 1.0
   38    45    65    66  -0.07000 -1.0 2.0
   38    45    65    66   0.04150  1.0 3.0
   38    45   -65    71  -0.42300  1.0 1.0
   38    45   -65    71  -0.07000 -1.0 2.0
   38    45   -65    71   0.04150  1.0 3.0
   39    38    45    50   3.04450 -1.0 2.0
   39    38    45    65   3.04450 -1.0 2.0
   45    50    52    54   0.08550  1.0 1.0
   45    50    52    54   1.07500 -1.0 2.0
   45    50    52    54  -0.10950  1.0 3.0
   45    50   -52    59   0.42250  1.0 1.0
   45    50   -52    59  -0.48100 -1.0 2.0
   45    50   -52    59   0.35650  1.0 3.0
   45    50    52    61   2.76900  1.0 1.0
   45    50    52    61  -0.24350 -1.0 2.0
   45    50    52    61  -0.78250  1.0 3.0
   45    50    53    76  -0.12500  1.0 1.0
   45    50    53    76  -0.12500 -1.0 2.0
   45    50    53    76   0.25000  1.0 3.0
   45    50    53    55   0.00000  1.0 1.0
   45    65    71    72   0.30150 -1.0 2.0
   45    65    71    40   0.00000  1.0 1.0
   50    45   -65    59  -0.05900 -1.0 2.0
   50    45    65    66   0.17850 -1.0 2.0
   50    45    65    71   0.17850 -1.0 2.0
   50    52    54    63   0.04150 -1.0 2.0
   50    52   -54    76   0.04150 -1.0 2.0
   50    52    59    60   0.15000  1.0 3.0
   50    52   -59    65   0.56750  1.0 1.0
   50    52   -59    65  -0.07550 -1.0 2.0
   50    52   -59    65   0.20000  1.0 3.0
   50    52    59    67   0.86500  1.0 1.0
   50    52    59    67  -0.17500 -1.0 2.0
   50    52    59    67   0.20800  1.0 3.0
   50    52    61    62  -0.11600  1.0 1.0
   50    52    61    62  -0.09450 -1.0 2.0
   50    52    61    62   0.21250  1.0 3.0
   50    53    55    56   0.00000  1.0 1.0
   50    53    55    57   0.00000  1.0 1.0
   50    53    55    58   0.00000  1.0 1.0
   51    50    52    54   0.43200  1.0 3.0
   51    50    52    59   0.15000  1.0 3.0
   51    50    52    61   0.23400  1.0 3.0
   51    50    53    76   0.00000  1.0 1.0
   51    50    53    55   0.00000  1.0 1.0
   52    50   -53    76  -0.12500  1.0 1.0
   52    50   -53    76  -0.12500 -1.0 2.0
   52    50   -53    76   0.25000  1.0 3.0
   52    50    53    55   0.00000  1.0 1.0
   52    54    63    64   3.62500 -1.0 2.0
   52    54    63    69   3.62500 -1.0 2.0
   52    54    76    74   3.62500 -1.0 2.0
   52    54   -76    53   3.62500 -1.0 2.0
   52    59   -65    45   0.43900  1.0 1.0
   52    59   -65    45   0.49100 -1.0 2.0
   52    59   -65    45   0.28400  1.0 3.0
   52    59    65    66   0.44750  1.0 1.0
   52    59    65    66  -0.17800 -1.0 2.0
   52    59    65    66   0.20200  1.0 3.0
   52    59    65    71  -0.95700  1.0 1.0
   52    59    65    71  -0.18200 -1.0 2.0
   52    59    65    71   0.29450  1.0 3.0
   52    59    67    68  -0.11600  1.0 1.0
   52    59    67    68  -0.09450 -1.0 2.0
   52    59    67    68   0.21250  1.0 3.0
   54    52    59    60   0.43200  1.0 3.0
   54    52    59    65  -0.03700  1.0 1.0
   54    52    59    65   0.37200 -1.0 2.0
   54    52    59    65  -0.47300  1.0 3.0
   54    52    59    67   1.13150  1.0 1.0
   54    52    59    67  -1.01400 -1.0 2.0
   54    52    61    62   0.31900  1.0 1.0
   54    52    61    62  -0.11800 -1.0 2.0
   54    52    61    62   0.38750  1.0 3.0
   54    63    69    70   3.62500 -1.0 2.0
   54    63    69    73   3.62500 -1.0 2.0
   54    76   -53    50  -1.00000  1.0 1.0
   54    76   -53    50   1.25000 -1.0 2.0
   54    76    53    55  -1.00000  1.0 1.0
   54    76    53    55   1.25000 -1.0 2.0
   63    54    76    74   3.62500 -1.0 2.0
   63    54    76    53   3.62500 -1.0 2.0
   63    69   -73    74   3.62500 -1.0 2.0
   63    69    73    75   3.62500 -1.0 2.0
   64    63    69    70   3.62500 -1.0 2.0
   64    63    69    73   3.62500 -1.0 2.0
   69    73    74    76   3.62500 -1.0 2.0
   69    73    74    77   3.62500 -1.0 2.0
   69    73    75    78   1.63200 -1.0 2.0
   70    69    73    74   3.62500 -1.0 2.0
   70    69    73    75   3.62500 -1.0 2.0
   73    74   -76    54   3.62500 -1.0 2.0
   73    74    76    53   3.62500 -1.0 2.0
   73    74    77    82   1.63200 -1.0 2.0
   73    75    78    79   0.08050  1.0 3.0
   73    75    78    80   0.08050  1.0 3.0
   73    75    78    81   0.08050  1.0 3.0
   74    73    75    78   1.63200 -1.0 2.0
   74    76    53    50  -1.00000  1.0 1.0
   74    76    53    50   1.25000 -1.0 2.0
   74    76    53    55  -1.00000  1.0 1.0
   74    76    53    55   1.25000 -1.0 2.0
   74    77    82    83   0.08050  1.0 3.0
   74    77    82    84   0.08050  1.0 3.0
   74    77    82    85   0.08050  1.0 3.0
   76    54    63    64   3.62500 -1.0 2.0
   76    54   -63    69   3.62500 -1.0 2.0
   76    74    77    82   1.63200 -1.0 2.0
   76    53    55    56   0.00000  1.0 1.0
   76    53    55    57   0.00000  1.0 1.0
   76    53    55    58   0.00000  1.0 1.0
   53    50   -52    54   0.08550  1.0 1.0
   53    50   -52    54   1.07500 -1.0 2.0
   53    50   -52    54  -0.10950  1.0 3.0
   53    50    52    59   1.26750  1.0 1.0
   53    50    52    59  -0.00950 -1.0 2.0
   53    50    52    59   0.30600  1.0 3.0
   53    50    52    61   4.07950  1.0 1.0
   53    50    52    61  -0.26450 -1.0 2.0
   53    50    52    61  -0.12150  1.0 3.0
   77    74    76    54   3.62500 -1.0 2.0
   77    74    76    53   3.62500 -1.0 2.0
   75    73    74    76   3.62500 -1.0 2.0
   75    73    74    77   3.62500 -1.0 2.0
   59    52    54    63   0.04150 -1.0 2.0
   59    52    54    76   0.04150 -1.0 2.0
   59    52    61    62  -0.11600  1.0 1.0
   59    52    61    62  -0.09450 -1.0 2.0
   59    52    61    62   0.21250  1.0 3.0
   59    65    71    72   0.30150 -1.0 2.0
   59    65    71    40   1.39750  1.0 1.0
   59    65    71    40  -0.07950 -1.0 2.0
   59    65    71    40  -0.18750  1.0 3.0
   60    59    65    45   0.15000  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    71  -0.11250  1.0 3.0
   60    59    67    68   0.19450  1.0 3.0
   65    45    50    51   0.00000  1.0 1.0
   65    45   -50    52  -0.05900 -1.0 2.0
   65    45    50    53   0.17850 -1.0 2.0
   65    59    67    68  -0.11600  1.0 1.0
   65    59    67    68  -0.09450 -1.0 2.0
   65    59    67    68   0.21250  1.0 3.0
   65    71   -40    37   1.49850  1.0 1.0
   65    71   -40    37   1.53950 -1.0 2.0
   65    71    40    46   1.49850  1.0 1.0
   65    71    40    46   1.53950 -1.0 2.0
   66    65    71    72   0.30150 -1.0 2.0
   66    65    71    40   0.00000  1.0 1.0
   71    40    46    47   0.00000  1.0 1.0
   71    40    46    48   0.00000  1.0 1.0
   71    40    46    49   0.00000  1.0 1.0
   72    71    40    37   3.04450 -1.0 2.0
   72    71    40    46   3.04450 -1.0 2.0
   40    37    38    39   0.30150 -1.0 2.0
   40    37   -38    45   0.00000  1.0 1.0
   40    37    41    42   0.15000  1.0 3.0
   40    37    41    43   0.15000  1.0 3.0
   40    37    41    44   0.15000  1.0 3.0
   67    59    65    45   2.76900  1.0 1.0
   67    59    65    45  -0.24350 -1.0 2.0
   67    59    65    45  -0.78250  1.0 3.0
   67    59    65    66   0.56750  1.0 1.0
   67    59    65    66  -0.07550 -1.0 2.0
   67    59    65    66   0.20000  1.0 3.0
   67    59    65    71  -0.09450  1.0 1.0
   67    59    65    71  -1.12950 -1.0 2.0
   67    59    65    71   0.54000  1.0 3.0
   61    52    54    63   0.14300 -1.0 2.0
   61    52    54    63   0.00300  1.0 3.0
   61    52    54    76   0.14300 -1.0 2.0
   61    52    54    76   0.00300  1.0 3.0
   61    52    59    60   0.23400  1.0 3.0
   61    52    59    65   0.86500  1.0 1.0
   61    52    59    65  -0.17500 -1.0 2.0
   61    52    59    65   0.20800  1.0 3.0
   61    52    59    67   3.75450  1.0 1.0
   41    37    38    39   0.30150 -1.0 2.0
   41    37    38    45   1.39750  1.0 1.0
   41    37    38    45  -0.07950 -1.0 2.0
   41    37    38    45  -0.18750  1.0 3.0
   41    37    40    71  -0.43950  1.0 1.0
   41    37    40    71  -0.08100 -1.0 2.0
   41    37    40    71   0.03350  1.0 3.0
   41    37    40    46  -0.05900 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   37    45    38    39  10.50000 -1.0 2.0
   65    38    45    50   1.00000 -1.0 2.0
   63    76    54    52   4.00000 -1.0 2.0
   69    64    63    54   1.10000 -1.0 2.0
   73    70    69    63   4.00000 -1.0 2.0
   74    75    73    69   4.00000 -1.0 2.0
   76    77    74    73   4.00000 -1.0 2.0
   74    53    76    54   4.00000 -1.0 2.0
   55    76    53    50   1.00000 -1.0 2.0
   65    40    71    72  10.50000 -1.0 2.0
   46    71    40    37   1.00000 -1.0 2.0
END
