* LIGAND DATABASE FILE (OPLS2005)
*
001      85    88    158    247     462
    1     0 S   NP   _N1_     1    29.35963    96.54004   -22.16316
    2     1 S   H    _HN1     2     1.02787    96.05973  -100.62087
    3     1 S   H    _H1_     3     1.02858    73.10366     6.62472
    4     1 S   H    _H2_     4     1.02940    42.33511   149.42691
    5     1 S   CT   _CA1     5     1.50546   147.31601   109.62913
    6     5 S   HC   _HA1     6     1.09615   104.51504    90.60276
    7     5 S   CO3  _C1_     7     1.54454   110.61472   -25.55077
    8     7 S   O2Z  _O11     8     1.26004   116.68330  -113.16337
    9     7 S   O2Z  _O12     9     1.26563   113.68226    64.90254
   10     5 S   CT   _CB1    10     1.53014   106.92064  -153.54075
   11    10 S   HC   HB11    11     1.09842   109.96254   -43.32270
   12    10 S   HC   HB12    12     1.09781   110.13115    73.25759
   13    10 S   CT   _CG1    13     1.53029   112.45124  -163.93090
   14    13 S   HC   HG11    14     1.09358   110.63820   -57.03985
   15    13 S   HC   HG12    15     1.09636   110.01782    62.17165
   16    13 S   C    _CD1    16     1.51711   111.98079  -177.25719
   17    16 S   O    _OE1    17     1.22807   123.11291    -1.18713
   18    16 S   N    _N2_    18     1.38469   111.96714   178.52263
   19    18 S   H    _HN2    19     1.02182   119.63068     2.92964
   20    18 S   CT1  _CA2    20     1.46083   123.42925  -177.19272
   21    20 S   HC   _HA2    21     1.09758   109.04773     2.56598
   22    20 S   C    _C2_    22     1.53435   109.70133  -113.01581
   23    22 S   O    _O2_    23     1.23116   122.02777  -151.84404
   24    20 S   CT   _CB2    32     1.53409   111.21411   123.62238
   25    24 S   HC   HB21    33     1.09490   110.23665    60.86686
   26    24 S   HC   HB22    34     1.09520   110.58103   179.16514
   27    22 S   N    _N3_    24     1.38382   113.73618    36.75247
   28    27 S   H    _HN3    25     1.01555   119.32084    -7.93098
   29    24 S   S    _SG2    35     1.83018   111.10619   -61.68312
   30    27 S   CT   _CA3    26     1.45274   123.18555   176.93452
   31    30 S   HC   HA31    27     1.09564   108.05375   -49.59623
   32    30 S   HC   HA32    28     1.09541   107.44959    66.76615
   33    29 S   CT   _C12    36     1.82675    99.51976   135.47177
   34    33 S   HC   _H13    37     1.09334   108.70142   -47.11886
   35    33 S   HC   _H14    38     1.09430   107.68971    71.03563
   36    30 S   CO3  _C3_    29     1.52963   114.25372  -171.92530
   37    36 S   O2Z  _O31    30     1.26380   116.23530    -7.51990
   38    36 S   O2Z  _O32    31     1.26500   114.43324   172.29709
   39    33 S   CT   _C11    39     1.53290   110.02074  -168.36257
   40    39 S   HC   _H7_    40     1.09669   110.86797   -45.69723
   41    39 S   CT   _C10    41     1.52890   112.27367  -169.99040
   42    41 S   HC   _H6_    42     1.09377   114.86144    32.53800
   43    41 S   CT   _C9_    43     1.51530   102.46561   -90.77604
   44    43 S   HC   _H5_    44     1.09673   109.64433    79.83400
   45    41 S   OH   _O34    84     1.42989   108.76687   153.21121
   46    45 S   HO   _H15    85     0.97245   107.48700   -67.90809
   47    43 S   CO   _C8_    45     1.52493   101.55214   -37.99889
   48    47 S   HC   _H4_    46     1.09697   110.88054   -79.65750
   49    43 S   OH   _O35    82     1.41512   112.32267  -159.52893
   50    49 S   HO   _H16    83     0.97273   107.66099   168.73306
   51    47 S   N*   _N6_    47     1.47486   110.97962   157.89887
   52    39 S   OS   _O33    81     1.45039   109.23957    72.75252
   53    51 S   CDX  _C7_    48     1.40653   119.53104   -79.34842
   54    53 S   HC   _H12    49     1.09923   113.49048    -4.54941
   55    53 S   NI   _N5_    50     1.30362   127.76469   175.18086
   56    55 S   C5A  _C6_    51     1.35393   110.53281    -0.21489
   57    56 S   C5B  _C5_    52     1.38059   128.37384     1.31343
   58    51 S   CDX  _C4_    53     1.40712   117.98012    96.52659
   59    57 S   N5B  _N8_    56     1.36664   111.80145   179.81655
   60    58 S   NI   _N4_    54     1.29111   130.02870     3.12863
   61    60 S   H    _H3_    55     1.02737   110.10793  -179.62832
   62    59 S   CRA  _C13    57     1.31823   104.09909     0.45067
   63    62 S   HA   _H17    58     1.08177   125.30994  -179.96044
   64    56 S   N*   _N7_    59     1.36651   126.75043  -177.12417
   65    64 S   CO   _C14    60     1.45023   128.46794     2.79946
   66    65 S   HC   _H8_    61     1.09744   107.20960   163.92258
   67    65 S   CT   _C15    62     1.51915   115.01136   -71.67272
   68    67 S   HC   _H9_    63     1.09498   111.30236    38.88824
   69    67 S   CT   _C16    64     1.51869   101.30101   155.87081
   70    69 S   HC   _H10    65     1.09384   113.23058  -161.90995
   71    67 S   OH   _O42    79     1.41479   112.09462   -83.19987
   72    71 S   HO   _H21    80     0.97195   107.48301  -168.22225
   73    69 S   CT   _C17    66     1.52674   102.33369   -37.85888
   74    73 S   HC   _H11    67     1.09573   112.40856   144.72148
   75    69 S   OH   _O41    77     1.42877   109.57499    77.88100
   76    75 S   HO   _H20    78     0.97275   107.40290  -176.08839
   77    65 S   OS   _O36    68     1.43976   109.30370    47.51885
   78    73 S   CT   _C18    69     1.52688   112.22105   -90.88334
   79    78 S   HC   _H18    70     1.09224   111.44033    60.64377
   80    78 S   HC   _H19    71     1.09478   110.09338   -59.96868
   81    78 S   OS   _O37    72     1.42378   109.06330  -179.24050
   82    81 S   P3   _P1_    73     1.65005   118.00985  -179.56479
   83    82 S   O2Z  _O39    74     1.52468   103.70141   177.52892
   84    82 S   O2Z  _O40    75     1.52473   104.66414    57.70240
   85    82 S   O2Z  _O38    76     1.52437   104.37850   -62.57394
  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   7   5   4   3
  10   5   4   2   1   1  12   6  11   7  11   7   4   1  11   5
   3   1  10   2   7   3   7  11   8   5   5   1   1   6   2   8
  12   6  11   7  12   7   4   1   9   6   3   1   4   7   3   2
   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    52  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    52    45  
   35    39    40    41    52  
   39    40    41    52  
   37    38  
   38  
    0  
   40    41    42    43    44    47    48    51    52    49    45    46  
   41    42    43    47    52    45  
   42    43    44    47    48    51    52    49    50    45    46  
   43    44    47    52    49    45    46  
   44    47    48    51    53    58    52    49    50    45    46  
   47    48    51    52    49    50    45  
   46    47    49    52  
    0  
   48    51    53    54    55    57    58    60    52    49    50  
   51    53    58    52    49  
   50    51    52  
    0  
   53    54    55    56    57    58    60    61    59    52  
   53    58  
   54    55    56    57    58    60    64  
   55    56    58  
   56    57    58    59    62    64    65  
   57    58    60    59    62    63    64    65    66    67    77  
   58    60    61    59    62    63    64    65  
   60    61    59    62    64  
   62    63    64    65    60  
   61  
    0  
   63    64    65    66    67    77  
   64    65  
   65    66    67    68    69    73    77    71  
   66    67    68    69    70    73    74    77    78    75    71    72  
   67    68    69    73    77    71  
   68    69    70    73    74    77    78    75    76    71    72  
   69    70    73    77    75    71    72  
   70    73    74    77    78    79    80    81    75    76    71    72  
   73    74    77    78    75    76    71  
   72    73    75    77  
    0  
   74    77    78    79    80    81    82    75    76  
   77    78    79    80    81    75  
   76    77    78  
    0  
   78    79    80    81  
   79    80    81    82    83    84    85  
   80    81    82  
   81    82  
   82    83    84    85  
   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  -0.335000   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0150   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.2500   0.1700  -0.072500   1.9050   1.6860   0.051222218  -2.220205820
   52   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.7500   0.1050   0.275900   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.058100   1.4250   1.2500   0.008598240   0.268726247
   55   3.2800   0.1700  -0.389800   1.8540   1.6400   0.005000000   0.000000000
   56   3.5500   0.0700  -0.068200   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700   0.375000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.7500   0.1050   0.219000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.2500   0.1700  -0.563000   1.8000   1.6000   0.001000000  -0.511443539
   60   3.2800   0.1700  -0.785000   1.8540   1.6400   0.005000000   0.000000000
   61   0.5000   0.0300   0.426000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700   0.275000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.078000   1.3810   1.2100   0.030040813   0.268726247
   64   3.2500   0.1700   0.122000   1.8000   1.6000   0.001000000  -0.511443539
   65   3.5000   0.0660   0.027000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   83   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   84   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   85   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    52   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    47   250.000  1.527
   43    49   320.000  1.410
   47    48   340.000  1.090
   47    51   275.000  1.479
   47    52   320.000  1.380
   51    53   360.000  1.429
   51    58   360.000  1.429
   53    54   370.000  1.091
   53    55   650.000  1.285
   55    56   440.000  1.363
   56    57   520.000  1.370
   56    64   427.000  1.381
   57    58   325.000  1.468
   57    59   410.000  1.394
   58    60   650.000  1.285
   60    61   434.000  1.010
   59    62   488.000  1.335
   62    63   367.000  1.080
   62    64   477.000  1.343
   64    65   275.000  1.479
   65    66   340.000  1.090
   65    67   250.000  1.527
   65    77   320.000  1.380
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    71   320.000  1.410
   69    70   340.000  1.090
   69    73   268.000  1.529
   69    75   320.000  1.410
   73    74   340.000  1.090
   73    77   320.000  1.410
   73    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   320.000  1.410
   81    82   230.000  1.630
   82    83   525.000  1.516
   82    84   525.000  1.516
   82    85   525.000  1.516
   75    76   553.000  0.945
   71    72   553.000  0.945
   49    50   553.000  0.945
   45    46   553.000  0.945
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    52    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    52    47    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    75.00000  109.43000
   41    43    49    50.00000  109.50000
   41    45    46    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    47    48    45.00000  112.01100
   43    47    51    75.00000  107.44000
   43    47    52    90.00000  108.56700
   43    49    50    55.00000  108.50000
   47    43    44    45.00000  108.72000
   47    51    53    70.00000  121.20000
   47    51    58    70.00000  121.20000
   51    47    48    55.00000  103.44000
   51    53    54    45.00000  112.72000
   51    53    55    80.00000  119.04400
   51    58    57    70.00000  117.00000
   51    58    60    80.00000  119.04400
   53    55    56    85.00000  107.58000
   55    53    54    45.00000  121.92500
   55    56    57    65.00000  132.24000
   55    56    64    70.00000  120.54000
   56    57    58    55.00000  126.30000
   56    57    59    70.00000  111.00000
   56    64    62    70.00000  109.80000
   56    64    65    65.00000  127.50000
   57    58    60    75.00000  114.44000
   57    59    62    70.00000  110.00000
   58    51    53    85.00000  116.68000
   58    60    61    55.00000  110.29700
   59    57    58    65.00000  123.22000
   59    62    63    35.00000  120.00000
   59    62    64    70.00000  120.00000
   62    64    65    60.00000  127.66100
   64    56    57    70.00000  106.30000
   64    62    63    35.00000  120.00000
   64    65    66    55.00000  103.44000
   64    65    67    75.00000  107.44000
   64    65    77   105.00000  106.22000
   65    67    68    45.00000  108.72000
   65    67    69    75.00000  109.43000
   65    67    71    90.00000  111.58700
   65    77    73    60.00000  109.50000
   67    65    66    45.00000  112.01100
   67    69    70    37.50000  110.70000
   67    69    73    58.35000  112.70000
   67    69    75    50.00000  109.50000
   67    71    72    55.00000  108.50000
   69    67    68    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    77    50.00000  109.50000
   69    73    78    58.35000  112.70000
   69    75    76    55.00000  108.50000
   73    69    70    37.50000  110.70000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    81    50.00000  109.50000
   77    65    66    35.00000  109.50000
   77    65    67    90.00000  108.56700
   77    73    74    35.00000  109.50000
   78    73    74    37.50000  110.70000
   78    73    77    50.00000  109.50000
   78    81    82    80.00000  112.68000
   80    78    79    33.00000  107.80000
   81    78    79    35.00000  109.50000
   81    78    80    35.00000  109.50000
   81    82    83   100.00000  107.00000
   81    82    84   100.00000  107.00000
   81    82    85   100.00000  107.00000
   84    82    83   140.00000  114.00000
   85    82    83   140.00000  114.00000
   85    82    84   140.00000  114.00000
   75    69    70    35.00000  109.50000
   75    69    73    50.00000  109.50000
   71    67    68    35.00000  109.50000
   71    67    69    50.00000  109.50000
   52    39    40    35.00000  109.50000
   52    39    41    50.00000  109.50000
   52    47    48    35.00000  109.50000
   52    47    51   105.00000  106.22000
   49    43    44    35.00000  109.50000
   49    43    47    90.00000  111.58700
   45    41    42    35.00000  109.50000
   45    41    43    50.00000  109.50000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    52   0.56750  1.0 1.0
   29    33    39    52  -0.07550 -1.0 2.0
   29    33    39    52   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.86500  1.0 1.0
   33    39    41    45  -0.17500 -1.0 2.0
   33    39    41    45   0.20800  1.0 3.0
   33    39    52    47   0.06250  1.0 1.0
   33    39    52    47  -0.01100 -1.0 2.0
   33    39    52    47   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    52   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    52   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    47   3.97050  1.0 1.0
   39    41    43    49   0.86500  1.0 1.0
   39    41    43    49  -0.17500 -1.0 2.0
   39    41    43    49   0.20800  1.0 3.0
   39    41    45    46  -0.11600  1.0 1.0
   39    41    45    46  -0.09450 -1.0 2.0
   39    41    45    46   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    52    47   0.37050  1.0 3.0
   41    39   -52    47   0.06250  1.0 1.0
   41    39   -52    47  -0.01100 -1.0 2.0
   41    39   -52    47   0.28050  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43    47    51  -0.27100  1.0 1.0
   41    43    47    51  -0.01700 -1.0 2.0
   41    43    47    51  -0.48600  1.0 3.0
   41    43   -47    52   0.62750  1.0 1.0
   41    43   -47    52  -0.30950 -1.0 2.0
   41    43   -47    52   0.27300  1.0 3.0
   41    43    49    50  -0.11600  1.0 1.0
   41    43    49    50  -0.09450 -1.0 2.0
   41    43    49    50   0.21250  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    49   0.23400  1.0 3.0
   42    41    45    46   0.19450  1.0 3.0
   43    41    45    46  -0.11600  1.0 1.0
   43    41    45    46  -0.09450 -1.0 2.0
   43    41    45    46   0.21250  1.0 3.0
   43    47    51    53   2.08450  1.0 1.0
   43    47    51    53  -0.39300 -1.0 2.0
   43    47    51    53   0.23400  1.0 3.0
   43    47    51    58   2.08450  1.0 1.0
   43    47    51    58  -0.39300 -1.0 2.0
   43    47    51    58   0.23400  1.0 3.0
   43    47   -52    39   0.06250  1.0 1.0
   43    47   -52    39  -0.01100 -1.0 2.0
   43    47   -52    39   0.28050  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    51   0.15000  1.0 3.0
   44    43    47    52   0.23400  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   47    43    49    50  -0.11600  1.0 1.0
   47    43    49    50  -0.09450 -1.0 2.0
   47    43    49    50   0.21250  1.0 3.0
   47    51    53    54   1.88100 -1.0 2.0
   47    51    53    55   3.62500 -1.0 2.0
   47    51    58    57   3.62500 -1.0 2.0
   47    51    58    60   3.62500 -1.0 2.0
   48    47    51    53   0.00000  1.0 1.0
   48    47    51    58   0.00000  1.0 1.0
   48    47    52    39   0.37050  1.0 3.0
   51    47    52    39  -2.37750  1.0 1.0
   51    47    52    39  -0.08150 -1.0 2.0
   51    47    52    39   0.59000  1.0 3.0
   51    53    55    56   6.00000 -1.0 2.0
   51    58    60    61   6.00000 -1.0 2.0
   53    51    58    57   3.62500 -1.0 2.0
   53    51    58    60   3.62500 -1.0 2.0
   53    55   -56    57   1.25000 -1.0 2.0
   53    55    56    64   1.25000 -1.0 2.0
   54    53    55    56   4.00000 -1.0 2.0
   55    56    57    58   3.62500 -1.0 2.0
   55    56    57    59   3.62500 -1.0 2.0
   55    56    64    62   3.62500 -1.0 2.0
   55    56    64    65   3.62500 -1.0 2.0
   56    57   -58    51   0.30050 -1.0 2.0
   56    57   -58    51   0.16600  1.0 3.0
   56    57    58    60   1.02250 -1.0 2.0
   56    57   -59    62   2.40000 -1.0 2.0
   56    64    65    66   0.00000  1.0 1.0
   56    64    65    67   1.10250  1.0 1.0
   56    64    65    67   0.01650 -1.0 2.0
   56    64    65    67   0.39100  1.0 3.0
   56    64    65    77   0.10350  1.0 1.0
   56    64    65    77  -0.15350 -1.0 2.0
   57    56   -64    62   1.40000 -1.0 2.0
   57    56    64    65   0.81400  1.0 1.0
   57    56    64    65   1.55550 -1.0 2.0
   57    58    60    61   6.00000 -1.0 2.0
   57    59    62    63   5.00000 -1.0 2.0
   57    59   -62    64   5.00000 -1.0 2.0
   58    51    53    54   3.62500 -1.0 2.0
   58    51   -53    55   3.62500 -1.0 2.0
   58    57    59    62   3.62500 -1.0 2.0
   59    57    58    51   0.30050 -1.0 2.0
   59    57    58    51   0.16600  1.0 3.0
   59    57    58    60   1.02250 -1.0 2.0
   59    62   -64    56   2.32500 -1.0 2.0
   59    62    64    65   3.62500 -1.0 2.0
   62    64    65    66   0.00000  1.0 1.0
   62    64    65    67   1.10250  1.0 1.0
   62    64    65    67   0.01650 -1.0 2.0
   62    64    65    67   0.39100  1.0 3.0
   62    64    65    77   0.10350  1.0 1.0
   62    64    65    77  -0.15350 -1.0 2.0
   63    62    64    56   2.32500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   64    56    57    58   3.62500 -1.0 2.0
   64    56   -57    59   5.37500 -1.0 2.0
   64    65    67    68   0.15000  1.0 3.0
   64    65    67    69  -0.64600  1.0 1.0
   64    65    67    69   0.58400 -1.0 2.0
   64    65    67    71   2.76900  1.0 1.0
   64    65    67    71  -0.24350 -1.0 2.0
   64    65    67    71  -0.78250  1.0 3.0
   64    65    77    73  -2.37750  1.0 1.0
   64    65    77    73  -0.08150 -1.0 2.0
   64    65    77    73   0.59000  1.0 3.0
   65    67    69    70   0.15000  1.0 3.0
   65    67   -69    73   3.97050  1.0 1.0
   65    67    69    75   0.86500  1.0 1.0
   65    67    69    75  -0.17500 -1.0 2.0
   65    67    69    75   0.20800  1.0 3.0
   65    67    71    72  -0.11600  1.0 1.0
   65    67    71    72  -0.09450 -1.0 2.0
   65    67    71    72   0.21250  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    71   0.23400  1.0 3.0
   66    65    77    73   0.37050  1.0 3.0
   67    65   -77    73   0.06250  1.0 1.0
   67    65   -77    73  -0.01100 -1.0 2.0
   67    65   -77    73   0.28050  1.0 3.0
   67    69    73    74   0.15000  1.0 3.0
   67    69   -73    77   0.62750  1.0 1.0
   67    69   -73    77  -0.30950 -1.0 2.0
   67    69   -73    77   0.27300  1.0 3.0
   67    69    73    78   0.56750  1.0 1.0
   67    69    73    78  -0.07550 -1.0 2.0
   67    69    73    78   0.20000  1.0 3.0
   67    69    75    76  -0.11600  1.0 1.0
   67    69    75    76  -0.09450 -1.0 2.0
   67    69    75    76   0.21250  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    73   0.15000  1.0 3.0
   68    67    69    75   0.23400  1.0 3.0
   68    67    71    72   0.19450  1.0 3.0
   69    67    71    72  -0.11600  1.0 1.0
   69    67    71    72  -0.09450 -1.0 2.0
   69    67    71    72   0.21250  1.0 3.0
   69    73   -77    65   0.06250  1.0 1.0
   69    73   -77    65  -0.01100 -1.0 2.0
   69    73   -77    65   0.28050  1.0 3.0
   69    73    78    79   0.15000  1.0 3.0
   69    73    78    80   0.15000  1.0 3.0
   69    73    78    81   0.62750  1.0 1.0
   69    73    78    81  -0.30950 -1.0 2.0
   69    73    78    81   0.27300  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    77   0.23400  1.0 3.0
   70    69    73    78   0.15000  1.0 3.0
   70    69    75    76   0.19450  1.0 3.0
   73    69    75    76  -0.11600  1.0 1.0
   73    69    75    76  -0.09450 -1.0 2.0
   73    69    75    76   0.21250  1.0 3.0
   73    78    81    82  -2.65550  1.0 1.0
   73    78    81    82  -0.22350 -1.0 2.0
   73    78    81    82   0.24150  1.0 3.0
   74    73    77    65   0.37050  1.0 3.0
   74    73    78    79   0.15000  1.0 3.0
   74    73    78    80   0.15000  1.0 3.0
   74    73    78    81   0.23400  1.0 3.0
   77    65    67    68   0.23400  1.0 3.0
   77    65   -67    69   0.62750  1.0 1.0
   77    65   -67    69  -0.30950 -1.0 2.0
   77    65   -67    69   0.27300  1.0 3.0
   77    65    67    71   3.69350  1.0 1.0
   77    65    67    71  -1.82950 -1.0 2.0
   77    73    78    79   0.23400  1.0 3.0
   77    73    78    80   0.23400  1.0 3.0
   77    73    78    81   1.11900  1.0 1.0
   77    73    78    81  -1.16350 -1.0 2.0
   77    73    78    81  -0.34150  1.0 3.0
   78    73    77    65   0.06250  1.0 1.0
   78    73    77    65  -0.01100 -1.0 2.0
   78    73    77    65   0.28050  1.0 3.0
   78    81    82    83   0.00000  1.0 1.0
   78    81    82    84   0.00000  1.0 1.0
   78    81    82    85   0.00000  1.0 1.0
   79    78    81    82   0.03000  1.0 3.0
   80    78    81    82   0.03000  1.0 3.0
   75    69    73    74   0.23400  1.0 3.0
   75    69    73    77   3.69350  1.0 1.0
   75    69    73    77  -1.82950 -1.0 2.0
   75    69    73    78   0.86500  1.0 1.0
   75    69    73    78  -0.17500 -1.0 2.0
   75    69    73    78   0.20800  1.0 3.0
   71    67    69    70   0.23400  1.0 3.0
   71    67    69    73   0.86500  1.0 1.0
   71    67    69    73  -0.17500 -1.0 2.0
   71    67    69    73   0.20800  1.0 3.0
   71    67    69    75   3.75450  1.0 1.0
   52    39    41    42   0.23400  1.0 3.0
   52    39   -41    43   0.62750  1.0 1.0
   52    39   -41    43  -0.30950 -1.0 2.0
   52    39   -41    43   0.27300  1.0 3.0
   52    39    41    45   3.69350  1.0 1.0
   52    39    41    45  -1.82950 -1.0 2.0
   52    47    51    53  -0.28000  1.0 1.0
   52    47    51    53  -1.16550 -1.0 2.0
   52    47    51    58  -0.28000  1.0 1.0
   52    47    51    58  -1.16550 -1.0 2.0
   49    43    47    48   0.23400  1.0 3.0
   49    43    47    51   2.76900  1.0 1.0
   49    43    47    51  -0.24350 -1.0 2.0
   49    43    47    51  -0.78250  1.0 3.0
   49    43    47    52   3.69350  1.0 1.0
   49    43    47    52  -1.82950 -1.0 2.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    47   0.86500  1.0 1.0
   45    41    43    47  -0.17500 -1.0 2.0
   45    41    43    47   0.20800  1.0 3.0
   45    41    43    49   3.75450  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   58    53    51    47   1.00000 -1.0 2.0
   51    54    53    55  10.50000 -1.0 2.0
   57    64    56    55   4.00000 -1.0 2.0
   58    59    57    56   4.00000 -1.0 2.0
   51    57    58    60  10.50000 -1.0 2.0
   64    63    62    59   1.10000 -1.0 2.0
   62    65    64    56   4.00000 -1.0 2.0
END
