* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    155    232     445
    1     0 S   NP   _N1_     1    28.85009    97.37923   -21.66566
    2     1 S   H    _HN1     2     1.02829    46.48910   154.38524
    3     1 S   H    _H1_     3     1.02778    93.77461   -94.40563
    4     1 S   H    _H2_     4     1.02950    70.19889    13.76108
    5     1 S   CT   _CA1     5     1.50122   151.30015   110.29847
    6     5 S   HC   _HA1     6     1.09572   105.22210    91.97552
    7     5 S   CO3  _C1_     7     1.53820   112.27674   -28.29887
    8     7 S   O2Z  _O11     8     1.26383   114.98952   -45.25876
    9     7 S   O2Z  _O12     9     1.26213   114.96596   133.71205
   10     5 S   CT   _CB1    10     1.53084   107.40906  -150.02492
   11    10 S   HC   HB11    11     1.09828   109.52018   -49.09266
   12    10 S   HC   HB12    12     1.09809   110.44188    67.58093
   13    10 S   CT   _CG1    13     1.52930   112.48049  -170.00491
   14    13 S   HC   HG11    14     1.09597   110.60538   -63.26260
   15    13 S   HC   HG12    15     1.09662   109.79925    55.90859
   16    13 S   C    _CD1    16     1.51828   112.30148   176.42900
   17    16 S   O    _OE1    17     1.22708   123.39275     4.75291
   18    16 S   N    _N2_    18     1.38552   111.46615  -175.54715
   19    18 S   H    _HN2    19     1.01495   118.74113     2.95724
   20    18 S   CT1  _CA2    20     1.46214   123.75654   179.66957
   21    20 S   HC   _HA2    21     1.09695   109.32033     0.68070
   22    20 S   C    _C2_    22     1.53613   109.21821  -115.40492
   23    22 S   O    _O2_    23     1.23085   121.97922  -157.62039
   24    20 S   CT   _CB2    32     1.53581   111.30778   122.78827
   25    24 S   HC   HB21    33     1.09430   109.02012    59.45318
   26    24 S   HC   HB22    34     1.09447   110.22221   177.74155
   27    22 S   N    _N3_    24     1.38208   114.10953    28.87375
   28    27 S   H    _HN3    25     1.01593   119.42981    -2.30817
   29    24 S   S    _SG2    35     1.83128   111.35468   -62.19508
   30    27 S   CT   _CA3    26     1.45261   123.36697   178.29808
   31    30 S   HC   HA31    27     1.09538   107.42638   -68.54715
   32    30 S   HC   HA32    28     1.09557   108.13653    47.98094
   33    29 S   CT   _C19    36     1.86780   101.32023   163.75105
   34    30 S   CO3  _C3_    29     1.52962   113.97386   170.07940
   35    34 S   O2Z  _O31    30     1.26379   116.04538     1.30221
   36    34 S   O2Z  _O32    31     1.26419   114.42321  -178.63857
   37    33 S   CM   _C11    37     1.50630   109.17912    72.78495
   38    37 S   HC   _H32    38     1.08910   117.41149   -36.85041
   39    33 S   OS   _O23    68     1.45222   109.41648   -42.98558
   40    37 S   CMA  _C13    39     1.35115   125.15006   144.84985
   41    40 S   OM   _O22    40     1.26041   128.26475  -179.82754
   42    40 S   CM   _C12    41     1.48391   118.29780     1.35379
   43    42 S   CM   _C10    42     1.35093   120.29478   -11.95484
   44    43 S   HC   _H31    43     1.08719   118.70616  -176.82596
   45    42 S   CT   _C24    78     1.52721   122.07645   167.41083
   46    45 S   HC   _H50    79     1.09908   109.52968  -153.15835
   47    45 S   HC   _H51    80     1.09748   110.88791   -38.59484
   48    33 S   CT   _C18    44     1.56758   112.17848  -160.40839
   49    45 S   CM   _C15    81     1.50492   112.69066    87.65447
   50    49 S   HC   _H35    82     1.08715   117.34062    58.51859
   51    48 S   CT   _C17    45     1.54614    99.78570    89.23013
   52    51 S   HC   _H37    46     1.10017   107.42868   -77.13762
   53    48 S   OS   _O26    73     1.43662   116.28200   -24.90495
   54    49 S   CM   _C14    83     1.33817   124.05912  -122.40129
   55    54 S   HC   _H33    84     1.08436   120.54832  -179.70525
   56    54 S   HC   _H34    85     1.08458   121.41756     0.81996
   57    51 S   CT   _C16    47     1.52557   102.38108    38.95905
   58    57 S   HC   _H36    48     1.09752   110.76854    79.01806
   59    51 S   CT   _C20    69     1.52616   117.17059   164.14029
   60    59 S   HC   _H38    70     1.09452   112.16387   -68.78938
   61    59 S   HC   _H39    71     1.09536   110.38871   171.82545
   62    59 S   HC   _H40    72     1.09469   110.88913    52.62911
   63    53 S   CT   _C23    74     1.42225   117.01332   -72.57465
   64    63 S   HC   _H47    75     1.09381   107.77965   169.99150
   65    63 S   HC   _H48    76     1.09204   112.28614    51.04466
   66    63 S   HC   _H49    77     1.09366   110.72382   -72.60173
   67    57 S   CA   _C7_    49     1.50931   114.70747  -156.23558
   68    67 S   CA   _C4_    50     1.40051   120.21484  -112.57906
   69    68 S   HA   _H28    51     1.08786   120.23805     0.26393
   70    68 S   CA   _C5_    52     1.40082   121.02190   179.90309
   71    70 S   HA   _H29    53     1.08569   117.60161  -179.33736
   72    70 S   CA   _C8_    54     1.39717   120.52934     0.52860
   73    72 S   CA   _C9_    55     1.40021   118.44271     0.57369
   74    72 S   OS   _O24    63     1.36955   125.21550  -179.03937
   75    67 S   CA   _C6_    56     1.39920   121.45746    67.26985
   76    75 S   HA   _H30    57     1.08506   120.04009    -1.23035
   77    73 S   OS   _O25    58     1.37346   121.30519  -178.90604
   78    74 S   CT   _C21    64     1.42219   117.13386     0.34605
   79    78 S   HC   _H41    65     1.09428   107.74455   179.67374
   80    78 S   HC   _H42    66     1.09499   111.15960    61.92515
   81    78 S   HC   _H43    67     1.09496   111.12265   -62.60494
   82    77 S   CT   _C22    59     1.42877   110.31128   -84.58073
   83    82 S   HC   _H44    60     1.09417   107.77913  -171.56769
   84    82 S   HC   _H45    61     1.09471   111.09354    70.24656
   85    82 S   HC   _H46    62     1.09598   111.59211   -53.20726
  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  10   5   4   3
  17   2   1   1  11   5  12   9   3  11  12   4   8   4   3  14
   4   3  12   8   6   2   1   1  12   4   4   2   1   1   3   2
   1   1   9   8   4   7   3  10   9   6   3   1   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    48    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    43    48    51    57    39    53  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    42    43    44    48    51    52    57    58    67    39    59    53    63  
   35    36  
   36  
    0  
   38    40    41    42    43    48    51    57    39    53    45  
   40    41    42    48    39  
   59    53    40    43    48    51    52    57    58    67    68    75  
   41    42    43    44    48    45    46    47    49  
   42    43    45  
   43    44    48    51    53    45    46    47    49    50    54  
   44    48    51    52    57    59    53    63    45    46    47    49  
   48    51    53    45  
   46    47    49    50    54    55    56    48  
   47    49    50    54  
   49    50    54  
   51    52    57    58    67    59    60    61    62    53    63    64    65    66  
   50    54    55    56  
   54    55    56  
   52    57    58    67    68    75    59    60    61    62    53    63  
   57    58    67    59    60    61    62    53  
   63    64    65    66    57    59  
   55    56  
   56  
    0  
   58    67    68    69    70    73    75    76    59    60    61    62  
   67    68    75    59  
   60    61    62    67  
   61    62  
   62  
    0  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    71    72    73    75    76    77  
   69    70    71    72    73    75    76    74  
   70    71    72    75  
   71    72    73    75    77    74    78  
   72    73    74  
   73    75    76    77    82    74    78    79    80    81  
   75    76    77    82    83    84    85    74    78  
   78    79    80    81    75    77  
   76    77    82  
   77  
   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   0.047500   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   0.417900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.785200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   2.9000   0.1400  -0.285000   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   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   222.000  1.810
   33    37   317.000  1.510
   33    48   268.000  1.529
   33    39   320.000  1.410
   37    38   340.000  1.080
   37    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   549.000  1.340
   42    45   317.000  1.510
   43    44   340.000  1.080
   43    48   317.000  1.510
   48    51   268.000  1.529
   48    53   320.000  1.410
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    59   268.000  1.529
   57    58   340.000  1.090
   57    67   317.000  1.510
   57    39   320.000  1.410
   67    68   469.000  1.400
   67    75   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   469.000  1.400
   72    74   450.000  1.364
   73    75   469.000  1.400
   73    77   450.000  1.364
   75    76   367.000  1.080
   77    82   320.000  1.410
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   74    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    61   340.000  1.090
   59    62   340.000  1.090
   53    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    49   317.000  1.510
   49    50   340.000  1.080
   49    54   549.000  1.340
   54    55   340.000  1.080
   54    56   340.000  1.080
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    48    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    48    43    70.00000  112.02700
   33    48    51    58.35000  112.70000
   33    48    53    50.00000  109.50000
   33    39    57    60.00000  109.50000
   37    40    41    65.00000  137.10300
   37    40    42    70.00000  123.01800
   40    37    38    40.00000  120.50800
   40    42    43    70.00000  117.34000
   40    42    45    70.00000  124.00000
   42    40    41    65.00000  137.10300
   42    43    44    35.00000  120.00000
   42    43    48    70.00000  124.00000
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    49    70.00000  110.12100
   43    48    51    70.00000  112.02700
   43    48    53    85.00000  110.90400
   48    33    37    70.00000  112.02700
   48    43    44    35.00000  117.00000
   48    51    52    37.50000  110.70000
   48    51    57    58.35000  112.70000
   48    51    59    58.35000  112.70000
   48    53    63    60.00000  109.50000
   51    57    58    37.50000  110.70000
   51    57    67    70.00000  112.17500
   51    57    39    50.00000  109.50000
   51    59    60    37.50000  110.70000
   51    59    61    37.50000  110.70000
   51    59    62    37.50000  110.70000
   57    51    52    37.50000  110.70000
   57    67    68    70.00000  120.00000
   57    67    75    70.00000  120.00000
   67    57    58    35.00000  109.50000
   67    68    69    35.00000  120.00000
   67    68    70    63.00000  120.00000
   67    75    73    63.00000  120.00000
   67    75    76    35.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    63.00000  120.00000
   70    72    74    70.00000  120.00000
   72    70    71    35.00000  120.00000
   72    73    75    63.00000  120.00000
   72    73    77    70.00000  120.00000
   72    74    78    75.00000  111.00000
   73    75    76    35.00000  120.00000
   73    77    82    75.00000  111.00000
   75    67    68    63.00000  120.00000
   77    73    75    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
   74    72    73    70.00000  120.00000
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    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
   39    33    37    85.00000  110.90400
   39    33    48    50.00000  109.50000
   39    57    58    35.00000  109.50000
   39    57    67    85.00000  111.85700
   59    51    52    37.50000  110.70000
   59    51    57    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   53    48    51    50.00000  109.50000
   53    63    64    35.00000  109.50000
   53    63    65    35.00000  109.50000
   53    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   45    42    43    70.00000  124.00000
   45    49    50    35.00000  117.00000
   45    49    54    70.00000  124.00000
   47    45    46    33.00000  107.80000
   49    45    46    35.00000  109.50000
   49    45    47    35.00000  109.50000
   49    54    55    35.00000  120.00000
   49    54    56    35.00000  120.00000
   54    49    50    35.00000  120.00000
   56    54    55    35.00000  117.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   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    37    38   0.00000  1.0 1.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    48    43   0.56750  1.0 1.0
   29    33    48    43  -0.07550 -1.0 2.0
   29    33    48    43   0.20000  1.0 3.0
   29    33    48    51   0.44750  1.0 1.0
   29    33    48    51  -0.17800 -1.0 2.0
   29    33    48    51   0.20200  1.0 3.0
   29    33    48    53   0.56750  1.0 1.0
   29    33    48    53  -0.07550 -1.0 2.0
   29    33    48    53   0.20000  1.0 3.0
   29    33    39    57   0.14700  1.0 1.0
   29    33    39    57  -1.16150 -1.0 2.0
   29    33    39    57   0.48700  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    42   7.00000 -1.0 2.0
   33    48    51    52   0.15000  1.0 3.0
   33    48   -51    57   0.56750  1.0 1.0
   33    48   -51    57  -0.07550 -1.0 2.0
   33    48   -51    57   0.20000  1.0 3.0
   33    48    51    59   0.56750  1.0 1.0
   33    48    51    59  -0.07550 -1.0 2.0
   33    48    51    59   0.20000  1.0 3.0
   33    48    53    63   0.06250  1.0 1.0
   33    48    53    63  -0.01100 -1.0 2.0
   33    48    53    63   0.28050  1.0 3.0
   37    33    48    43   0.31000  1.0 1.0
   37    33    48    43   0.14700 -1.0 2.0
   37    33    48    43   0.07550  1.0 3.0
   37    33    48    51   0.34400  1.0 1.0
   37    33    48    51   0.09450 -1.0 2.0
   37    33    48    51   0.11100  1.0 3.0
   37    33    48    53   0.61850  1.0 1.0
   37    33    48    53  -0.22750 -1.0 2.0
   37    33    48    53   0.15300  1.0 3.0
   37    33    39    57  -0.77900  1.0 1.0
   37    33    39    57  -0.36900 -1.0 2.0
   37    33    39    57   0.40400  1.0 3.0
   37    40   -42    43   7.00000 -1.0 2.0
   37    40    42    45   7.00000 -1.0 2.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    42   7.00000 -1.0 2.0
   40    42    43    44   7.00000 -1.0 2.0
   40    42    43    48   7.00000 -1.0 2.0
   40    42    45    46   0.00000  1.0 1.0
   40    42    45    47   0.00000  1.0 1.0
   40    42    45    49  -0.28300  1.0 1.0
   40    42    45    49   0.26700 -1.0 2.0
   40    42    45    49  -0.63300  1.0 3.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    45   7.00000 -1.0 2.0
   42    43   -48    33   0.09850  1.0 1.0
   42    43   -48    33   0.15250 -1.0 2.0
   42    43   -48    33  -0.50650  1.0 3.0
   42    43    48    51   0.09850  1.0 1.0
   42    43    48    51   0.15250 -1.0 2.0
   42    43    48    51  -0.50650  1.0 3.0
   42    43    48    53   0.39000  1.0 1.0
   42    43    48    53  -0.05800 -1.0 2.0
   42    43    48    53  -0.55150  1.0 3.0
   42    45    49    50   0.00000  1.0 1.0
   42    45    49    54  -0.28300  1.0 1.0
   42    45    49    54   0.26700 -1.0 2.0
   42    45    49    54  -0.63300  1.0 3.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    47   0.00000  1.0 1.0
   43    42    45    49  -0.28300  1.0 1.0
   43    42    45    49   0.26700 -1.0 2.0
   43    42    45    49  -0.63300  1.0 3.0
   43    48    51    52   0.15000  1.0 3.0
   43    48    51    57   0.34400  1.0 1.0
   43    48    51    57   0.09450 -1.0 2.0
   43    48    51    57   0.11100  1.0 3.0
   43    48    51    59   0.34400  1.0 1.0
   43    48    51    59   0.09450 -1.0 2.0
   43    48    51    59   0.11100  1.0 3.0
   43    48    53    63  -0.77900  1.0 1.0
   43    48    53    63  -0.36900 -1.0 2.0
   43    48    53    63   0.40400  1.0 3.0
   44    43    48    33   0.00000  1.0 1.0
   44    43    48    51   0.00000  1.0 1.0
   44    43    48    53   0.00000  1.0 1.0
   48    33    37    38   0.00000  1.0 1.0
   48    33   -37    40   0.09850  1.0 1.0
   48    33   -37    40   0.15250 -1.0 2.0
   48    33   -37    40  -0.50650  1.0 3.0
   48    33   -39    57   0.06250  1.0 1.0
   48    33   -39    57  -0.01100 -1.0 2.0
   48    33   -39    57   0.28050  1.0 3.0
   48    51    57    58   0.15000  1.0 3.0
   48    51    57    67  -0.03700  1.0 1.0
   48    51    57    67   0.37200 -1.0 2.0
   48    51    57    67  -0.47300  1.0 3.0
   48    51   -57    39   0.62750  1.0 1.0
   48    51   -57    39  -0.30950 -1.0 2.0
   48    51   -57    39   0.27300  1.0 3.0
   48    51    59    60   0.15000  1.0 3.0
   48    51    59    61   0.15000  1.0 3.0
   48    51    59    62   0.15000  1.0 3.0
   48    53    63    64   0.37050  1.0 3.0
   48    53    63    65   0.37050  1.0 3.0
   48    53    63    66   0.37050  1.0 3.0
   51    48    53    63   0.06250  1.0 1.0
   51    48    53    63  -0.01100 -1.0 2.0
   51    48    53    63   0.28050  1.0 3.0
   51    57    67    68   0.04150 -1.0 2.0
   51    57    67    75   0.04150 -1.0 2.0
   51    57   -39    33   0.06250  1.0 1.0
   51    57   -39    33  -0.01100 -1.0 2.0
   51    57   -39    33   0.28050  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    67   0.43200  1.0 3.0
   52    51    57    39   0.23400  1.0 3.0
   52    51    59    60   0.15000  1.0 3.0
   52    51    59    61   0.15000  1.0 3.0
   52    51    59    62   0.15000  1.0 3.0
   57    51    59    60   0.15000  1.0 3.0
   57    51    59    61   0.15000  1.0 3.0
   57    51    59    62   0.15000  1.0 3.0
   57    67    68    69   3.62500 -1.0 2.0
   57    67    68    70   3.62500 -1.0 2.0
   57    67    75    73   3.62500 -1.0 2.0
   57    67    75    76   3.62500 -1.0 2.0
   58    57    67    68   0.00000  1.0 1.0
   58    57    67    75   0.00000  1.0 1.0
   58    57    39    33   0.37050  1.0 3.0
   67    57    39    33   0.37500  1.0 3.0
   67    68    70    71   3.62500 -1.0 2.0
   67    68    70    72   3.62500 -1.0 2.0
   68    67    75    73   3.62500 -1.0 2.0
   68    67    75    76   3.62500 -1.0 2.0
   68    70   -72    73   3.62500 -1.0 2.0
   68    70    72    74   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72    73    75   3.62500 -1.0 2.0
   70    72    73    77   3.62500 -1.0 2.0
   70    72    74    78   1.63200 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    73   -75    67   3.62500 -1.0 2.0
   72    73    75    76   3.62500 -1.0 2.0
   72    73    77    82   1.63200 -1.0 2.0
   72    74    78    79   0.08050  1.0 3.0
   72    74    78    80   0.08050  1.0 3.0
   72    74    78    81   0.08050  1.0 3.0
   73    72    74    78   1.63200 -1.0 2.0
   73    77    82    83   0.08050  1.0 3.0
   73    77    82    84   0.08050  1.0 3.0
   73    77    82    85   0.08050  1.0 3.0
   75    67    68    69   3.62500 -1.0 2.0
   75    67   -68    70   3.62500 -1.0 2.0
   75    73    77    82   1.63200 -1.0 2.0
   77    73    75    67   3.62500 -1.0 2.0
   77    73    75    76   3.62500 -1.0 2.0
   74    72    73    75   3.62500 -1.0 2.0
   74    72    73    77   3.62500 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40   0.39000  1.0 1.0
   39    33    37    40  -0.05800 -1.0 2.0
   39    33    37    40  -0.55150  1.0 3.0
   39    33    48    43   0.61850  1.0 1.0
   39    33    48    43  -0.22750 -1.0 2.0
   39    33    48    43   0.15300  1.0 3.0
   39    33   -48    51   0.62750  1.0 1.0
   39    33   -48    51  -0.30950 -1.0 2.0
   39    33   -48    51   0.27300  1.0 3.0
   39    33    48    53   1.11900  1.0 1.0
   39    33    48    53  -1.16350 -1.0 2.0
   39    33    48    53  -0.34150  1.0 3.0
   39    57    67    68   0.64500  1.0 1.0
   39    57    67    68   0.14800 -1.0 2.0
   39    57    67    68   0.20650  1.0 3.0
   39    57    67    75   0.64500  1.0 1.0
   39    57    67    75   0.14800 -1.0 2.0
   39    57    67    75   0.20650  1.0 3.0
   59    51    57    58   0.15000  1.0 3.0
   59    51    57    67  -0.03700  1.0 1.0
   59    51    57    67   0.37200 -1.0 2.0
   59    51    57    67  -0.47300  1.0 3.0
   59    51    57    39   0.62750  1.0 1.0
   59    51    57    39  -0.30950 -1.0 2.0
   59    51    57    39   0.27300  1.0 3.0
   53    48    51    52   0.23400  1.0 3.0
   53    48    51    57   0.62750  1.0 1.0
   53    48    51    57  -0.30950 -1.0 2.0
   53    48    51    57   0.27300  1.0 3.0
   53    48    51    59   0.62750  1.0 1.0
   53    48    51    59  -0.30950 -1.0 2.0
   53    48    51    59   0.27300  1.0 3.0
   45    42    43    44   7.00000 -1.0 2.0
   45    42    43    48   7.00000 -1.0 2.0
   45    49    54    55   7.00000 -1.0 2.0
   45    49    54    56   7.00000 -1.0 2.0
   46    45    49    50   0.33100  1.0 3.0
   46    45    49    54   0.00000  1.0 1.0
   47    45    49    50   0.33100  1.0 3.0
   47    45    49    54   0.00000  1.0 1.0
   50    49    54    55   7.00000 -1.0 2.0
   50    49    54    56   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    40   1.10000 -1.0 2.0
   42    41    40    37   1.10000 -1.0 2.0
   40    45    42    43   1.10000 -1.0 2.0
   48    44    43    42   1.10000 -1.0 2.0
   68    75    67    57   4.00000 -1.0 2.0
   70    69    68    67   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   73    74    72    70   4.00000 -1.0 2.0
   75    77    73    72   4.00000 -1.0 2.0
   73    76    75    67   1.10000 -1.0 2.0
   45    50    49    54  15.00000 -1.0 2.0
   55    56    54    49  15.00000 -1.0 2.0
END
