* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    161    252     469
    1     0 S   NP   _N1_     1    29.27537    96.21451   -17.89643
    2     1 S   H    _HN1     2     1.02769    70.52364   -81.90496
    3     1 S   H    _H1_     3     1.02961    87.90818    28.48247
    4     1 S   H    _H2_     4     1.02827    50.59467   142.52233
    5     1 S   CT   _CA1     5     1.50193   158.33350   176.45856
    6     5 S   HC   _HA1     6     1.09563   105.16613    31.77742
    7     5 S   CO3  _C1_     7     1.53915   112.52783   -88.28126
    8     7 S   O2Z  _O11     8     1.26370   114.93509   -34.55391
    9     7 S   O2Z  _O12     9     1.26261   115.06345   144.44368
   10     5 S   CT   _CB1    10     1.53107   107.36277   149.89184
   11    10 S   HC   HB11    11     1.09816   109.56072   -47.18698
   12    10 S   HC   HB12    12     1.09807   110.27223    69.46550
   13    10 S   CT   _CG1    13     1.52919   112.64422  -168.18684
   14    13 S   HC   HG11    14     1.09536   110.40956   -61.65398
   15    13 S   HC   HG12    15     1.09648   110.04058    57.44288
   16    13 S   C    _CD1    16     1.51819   112.45936   177.75964
   17    16 S   O    _OE1    17     1.22688   123.40879    -7.04957
   18    16 S   N    _N2_    18     1.38579   111.41130   173.26402
   19    18 S   H    _HN2    19     1.01602   118.84800     2.09003
   20    18 S   CT1  _CA2    20     1.46151   123.71217  -178.34011
   21    20 S   HC   _HA2    21     1.09727   109.37497   -14.32825
   22    20 S   C    _C2_    22     1.53411   108.11378  -129.84891
   23    22 S   O    _O2_    23     1.23016   122.49288  -147.30277
   24    20 S   CT   _CB2    32     1.53433   111.27129   108.02163
   25    24 S   HC   HB21    33     1.09497   109.97115    53.29542
   26    24 S   HC   HB22    34     1.09524   110.52969   171.26021
   27    22 S   N    _N3_    24     1.38404   113.39015    40.17962
   28    27 S   H    _HN3    25     1.01656   119.49117    -3.48914
   29    24 S   S    _SG2    35     1.83054   111.77990   -70.50695
   30    27 S   CT   _CA3    26     1.45292   123.06786   176.95496
   31    30 S   HC   HA31    27     1.09553   107.51766   -63.91186
   32    30 S   HC   HA32    28     1.09560   107.94577    52.48194
   33    29 S   CT   _C9_    36     1.84343   101.03912   128.93129
   34    33 S   HC   _H4_    37     1.09647   106.08366   166.51361
   35    30 S   CO3  _C3_    29     1.52920   114.17344   174.47579
   36    35 S   O2Z  _O31    30     1.26359   116.05742    -0.76617
   37    35 S   O2Z  _O32    31     1.26430   114.41176   179.29835
   38    33 S   CT   _C10    38     1.53671   110.79218   -75.30552
   39    38 S   HC   _H5_    39     1.09647   110.82873    45.68646
   40    33 S   OS   _O35    71     1.43168   112.02301    46.18092
   41    38 S   CO4  _C16    40     1.51451   114.56931   -75.37894
   42    41 S   O    _O37    41     1.22082   126.41456    35.30414
   43    40 S   CO   _C7_    72     1.42390   113.99208    88.11388
   44    43 S   HC   _H3_    73     1.09617   111.09442    50.38277
   45    41 S   OS   _O36    42     1.36836   109.92606  -146.92937
   46    43 S   CM   _C6_    74     1.47756   108.30255   171.77940
   47    46 S   HC   _H12    75     1.08069   123.82253   -59.69833
   48    45 S   CT   _C15    43     1.42823   110.24180     3.05825
   49    48 S   HC   _H7_    44     1.09434   110.18338  -104.62505
   50    46 S   CM   _C5_    76     1.33034   111.49151   120.23550
   51    48 S   CM   _C14    45     1.49548   110.81908   128.75235
   52    50 S   CO4  _C8_    77     1.46712   106.33852     0.03956
   53    52 S   O    _O34    78     1.21872   125.50815  -179.75531
   54    50 S   CT   _C4_    80     1.47818   130.01909  -179.84549
   55    54 S   HC   _H9_    81     1.09449   110.52614   119.97501
   56    54 S   HC   _H10    82     1.09480   111.42492    -0.00000
   57    54 S   HC   _H11    83     1.09447   110.52750  -120.00506
   58    51 S   CM   _C13    46     1.34122   110.85301   -99.15021
   59    43 S   OS   _O33    79     1.43024   113.53650   -73.83645
   60    58 S   CT   _C12    47     1.49445   111.99283     1.94622
   61    60 S   HC   _H13    48     1.09427   109.94177   104.50907
   62    60 S   HC   _H14    49     1.09447   111.62434  -134.43976
   63    58 S   CT   _C20    52     1.48983   125.08687  -179.70261
   64    63 S   HC   _H8_    53     1.09571   110.05658   133.70135
   65    38 S   CT   _C11    50     1.52584   115.62129   167.31466
   66    65 S   HC   _H6_    51     1.09829   111.13809   -86.45303
   67    63 S   CT   _C19    54     1.53517   111.93247    12.11683
   68    67 S   HC   _H17    55     1.09643   110.21662  -161.55215
   69    67 S   HC   _H18    56     1.09649   109.52192    80.87082
   70    63 S   OH   _O38    69     1.42467   107.88064  -109.03893
   71    70 S   HO   _H19    70     0.97211   107.53877  -178.95432
   72    67 S   CT   _C18    57     1.53521   111.82636   -40.35464
   73    72 S   HC   _H15    58     1.09736   109.21863  -179.00988
   74    72 S   HC   _H16    59     1.09896   108.15323   -63.89003
   75    51 S   CT   _C17    60     1.51062   124.80804    80.09194
   76    75 S   CT   _C21    61     1.54040   108.92694    74.69134
   77    76 S   HC   _H20    62     1.09605   111.05456   176.63408
   78    76 S   HC   _H21    63     1.09563   111.95126    56.31199
   79    76 S   HC   _H22    64     1.09640   111.42696   -63.80326
   80    75 S   CT   _C22    65     1.53895   111.63191   -45.19377
   81    80 S   HC   _H23    66     1.09621   110.98073  -176.31135
   82    80 S   HC   _H24    67     1.09542   111.60315    64.15019
   83    80 S   HC   _H25    68     1.09619   111.44791   -56.38091
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  15   6   2   1   1  15   8   9   8   3   8   5   8   9   4  13
   6   7  22   6   2   4   2   1   1  16   1   9   4   3  11   6
   2   1  10   6   5   2   1  11   4   3   8   7   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    65    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    45    48    60    65    66    40    43    44    46    59  
   38    39    41    65    40    43  
   36    37  
   37  
    0  
   39    41    42    45    48    49    51    58    60    61    62    65    66    40    43  
   41    42    45    48    60    65    66    40  
   43    44    46    47    50    52    59    41    65  
   42    45    48    49    51    60    65    66  
   45    48    65  
   44    46    47    50    52    53    59    54  
   46    47    50    52    59  
   48    49    51    58    60    65    66    75  
   47    50    52    53    59    54    55    56    57  
   50    52    59    54  
   49    51    58    60    61    62    65    66    63    72    75    76    80  
   51    58    60    65    66    75  
   52    53    59    54    55    56    57  
   58    60    61    62    65    66    63    64    67    72    73    74    75    76    77    78    79    80    81    82    83    70  
   53    59    54    55    56    57  
   59    54  
   55    56    57    59  
   56    57  
   57  
    0  
   60    61    62    65    66    63    64    67    68    69    72    75    76    80    70    71  
    0  
   61    62    65    66    63    64    67    75    70  
   62    65    66    63  
   65    66    63  
   64    67    68    69    72    73    74    75    70    71    65  
   67    68    69    72    70    71  
   66    75  
    0  
   68    69    72    73    74    75    76    80    70    71  
   69    72    73    74    75    70  
   72    73    74    75    70  
   71    72  
    0  
   73    74    75    76    77    78    79    80    81    82    83  
   74    75    76    80  
   75    76    80  
   76    77    78    79    80    81    82    83  
   77    78    79    80    81    82    83  
   78    79    80  
   79    80  
   80  
   81    82    83  
   82    83  
   83  
    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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.271400   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   45   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   317.000  1.522
   38    65   268.000  1.529
   41    42   570.000  1.229
   41    45   214.000  1.327
   45    48   320.000  1.410
   48    49   340.000  1.090
   48    51   317.000  1.510
   48    65   268.000  1.529
   51    58   549.000  1.340
   51    75   317.000  1.510
   58    60   317.000  1.510
   58    63   317.000  1.510
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   268.000  1.529
   65    66   340.000  1.090
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    70   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   268.000  1.529
   75    80   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   70    71   553.000  0.945
   40    43   320.000  1.380
   43    44   340.000  1.090
   43    46   317.000  1.510
   43    59   320.000  1.380
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    52   320.000  1.462
   50    54   317.000  1.510
   52    53   570.000  1.229
   52    59   214.000  1.327
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    38    65    58.35000  112.70000
   33    40    43    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    45    81.00000  111.40000
   38    65    48    58.35000  112.70000
   38    65    60    58.35000  112.70000
   38    65    66    37.50000  110.70000
   41    38    39    35.00000  109.50000
   41    45    48    83.00000  116.90000
   45    41    42    83.00000  123.40000
   45    48    49    35.00000  109.50000
   45    48    51    85.00000  110.90400
   45    48    65    50.00000  109.50000
   48    51    58    70.00000  124.00000
   48    51    75    65.00000  117.92700
   48    65    60    58.35000  112.70000
   48    65    66    37.50000  110.70000
   51    48    49    35.00000  109.50000
   51    58    60    70.00000  124.00000
   51    58    63    70.00000  124.00000
   51    75    72    70.00000  112.02700
   51    75    76    70.00000  112.02700
   51    75    80    70.00000  112.02700
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    65    70.00000  112.02700
   58    63    64    35.00000  109.50000
   58    63    67    70.00000  112.02700
   58    63    70    90.00000  110.39200
   60    65    66    37.50000  110.70000
   62    60    61    33.00000  107.80000
   65    38    39    37.50000  110.70000
   65    38    41    63.00000  111.10000
   65    48    49    37.50000  110.70000
   65    48    51    70.00000  112.02700
   65    60    61    37.50000  110.70000
   65    60    62    37.50000  110.70000
   63    58    60    65.00000  117.92700
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    72    58.35000  112.70000
   63    70    71    55.00000  108.50000
   67    63    64    37.50000  110.70000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    75    58.35000  112.70000
   69    67    68    33.00000  107.80000
   72    67    68    37.50000  110.70000
   72    67    69    37.50000  110.70000
   72    75    76    58.35000  112.70000
   72    75    80    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    51    58    70.00000  124.00000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    76    77    37.50000  110.70000
   75    76    78    37.50000  110.70000
   75    76    79    37.50000  110.70000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    83    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    75    76    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   70    63    64    35.00000  109.50000
   70    63    67    50.00000  109.50000
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
   40    43    44    35.00000  109.50000
   40    43    46    85.00000  110.90400
   40    43    59    92.60000  111.55000
   43    46    47    35.00000  117.00000
   43    46    50    70.00000  124.00000
   43    59    52    95.00000  111.08000
   46    43    44    35.00000  109.50000
   46    50    52    65.00000  118.96000
   46    50    54    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    52    53    80.00000  123.72100
   50    52    59    90.00000  111.29400
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    57    35.00000  109.50000
   59    43    44    35.00000  109.50000
   59    43    46    85.00000  110.90400
   59    52    53    83.00000  123.40000
   54    50    52    65.00000  116.34900
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    38    65   0.44750  1.0 1.0
   29    33    38    65  -0.17800 -1.0 2.0
   29    33    38    65   0.20200  1.0 3.0
   29    33    40    43   0.14700  1.0 1.0
   29    33    40    43  -1.16150 -1.0 2.0
   29    33    40    43   0.48700  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    45   0.36750  1.0 3.0
   33    38    65    48   0.56750  1.0 1.0
   33    38    65    48  -0.07550 -1.0 2.0
   33    38    65    48   0.20000  1.0 3.0
   33    38    65    60   0.56750  1.0 1.0
   33    38    65    60  -0.07550 -1.0 2.0
   33    38    65    60   0.20000  1.0 3.0
   33    38    65    66   0.15000  1.0 3.0
   33    40    43    44   0.37050  1.0 3.0
   33    40    43    46  -0.77900  1.0 1.0
   33    40    43    46  -0.36900 -1.0 2.0
   33    40    43    46   0.40400  1.0 3.0
   33    40    43    59  -0.53350  1.0 1.0
   33    40    43    59  -0.78350 -1.0 2.0
   33    40    43    59   0.33750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    38    65   0.15000  1.0 3.0
   34    33    40    43   0.37050  1.0 3.0
   38    33    40    43   0.06250  1.0 1.0
   38    33    40    43  -0.01100 -1.0 2.0
   38    33    40    43   0.28050  1.0 3.0
   38    41   -45    48   1.63150  1.0 1.0
   38    41   -45    48   2.92000 -1.0 2.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    45   0.00000  1.0 1.0
   39    38    65    48   0.15000  1.0 3.0
   39    38    65    60   0.15000  1.0 3.0
   39    38    65    66   0.15000  1.0 3.0
   41    38   -65    48  -0.95700  1.0 1.0
   41    38   -65    48  -0.18200 -1.0 2.0
   41    38   -65    48   0.29450  1.0 3.0
   41    38    65    60  -0.95700  1.0 1.0
   41    38    65    60  -0.18200 -1.0 2.0
   41    38    65    60   0.29450  1.0 3.0
   41    38    65    66  -0.11250  1.0 3.0
   41    45    48    49   0.08050  1.0 3.0
   41    45    48    51  -0.82050  1.0 1.0
   41    45    48    51   0.00600 -1.0 2.0
   41    45    48    51   0.04400  1.0 3.0
   41    45   -48    65  -0.25900  1.0 1.0
   41    45   -48    65  -0.47000 -1.0 2.0
   41    45   -48    65   0.11750  1.0 3.0
   42    41    45    48   3.00000 -1.0 2.0
   45    48    51    58   0.39000  1.0 1.0
   45    48    51    58  -0.05800 -1.0 2.0
   45    48    51    58  -0.55150  1.0 3.0
   45    48    51    75   0.09700  1.0 1.0
   45    48    51    75   0.15600 -1.0 2.0
   45    48    51    75  -0.50800  1.0 3.0
   45    48   -65    38   0.62750  1.0 1.0
   45    48   -65    38  -0.30950 -1.0 2.0
   45    48   -65    38   0.27300  1.0 3.0
   45    48    65    60   0.62750  1.0 1.0
   45    48    65    60  -0.30950 -1.0 2.0
   45    48    65    60   0.27300  1.0 3.0
   45    48    65    66   0.23400  1.0 3.0
   48    51   -58    60   7.00000 -1.0 2.0
   48    51    58    63   7.00000 -1.0 2.0
   48    51    75    72   0.46850  1.0 1.0
   48    51    75    72   0.08550 -1.0 2.0
   48    51    75    72   0.09800  1.0 3.0
   48    51    75    76   0.46850  1.0 1.0
   48    51    75    76   0.08550 -1.0 2.0
   48    51    75    76   0.09800  1.0 3.0
   48    51    75    80   0.46850  1.0 1.0
   48    51    75    80   0.08550 -1.0 2.0
   48    51    75    80   0.09800  1.0 3.0
   49    48    51    58   0.00000  1.0 1.0
   49    48    51    75   0.34800  1.0 3.0
   49    48    65    38   0.15000  1.0 3.0
   49    48    65    60   0.15000  1.0 3.0
   49    48    65    66   0.15000  1.0 3.0
   51    48    65    38   0.34400  1.0 1.0
   51    48    65    38   0.09450 -1.0 2.0
   51    48    65    38   0.11100  1.0 3.0
   51    48   -65    60   0.34400  1.0 1.0
   51    48   -65    60   0.09450 -1.0 2.0
   51    48   -65    60   0.11100  1.0 3.0
   51    48    65    66   0.15000  1.0 3.0
   51    58    60    61   0.00000  1.0 1.0
   51    58    60    62   0.00000  1.0 1.0
   51    58   -60    65   0.09850  1.0 1.0
   51    58   -60    65   0.15250 -1.0 2.0
   51    58   -60    65  -0.50650  1.0 3.0
   51    58    63    64   0.00000  1.0 1.0
   51    58    63    67   0.09850  1.0 1.0
   51    58    63    67   0.15250 -1.0 2.0
   51    58    63    67  -0.50650  1.0 3.0
   51    58    63    70   0.67800  1.0 1.0
   51    58    63    70   0.47050 -1.0 2.0
   51    58    63    70  -0.62500  1.0 3.0
   51    75    76    77   0.15000  1.0 3.0
   51    75    76    78   0.15000  1.0 3.0
   51    75    76    79   0.15000  1.0 3.0
   51    75    80    81   0.15000  1.0 3.0
   51    75    80    82   0.15000  1.0 3.0
   51    75    80    83   0.15000  1.0 3.0
   58    51    75    72   0.09850  1.0 1.0
   58    51    75    72   0.15250 -1.0 2.0
   58    51    75    72  -0.50650  1.0 3.0
   58    51    75    76   0.09850  1.0 1.0
   58    51    75    76   0.15250 -1.0 2.0
   58    51    75    76  -0.50650  1.0 3.0
   58    51    75    80   0.09850  1.0 1.0
   58    51    75    80   0.15250 -1.0 2.0
   58    51    75    80  -0.50650  1.0 3.0
   58    60    65    38   0.34400  1.0 1.0
   58    60    65    38   0.09450 -1.0 2.0
   58    60    65    38   0.11100  1.0 3.0
   58    60   -65    48   0.34400  1.0 1.0
   58    60   -65    48   0.09450 -1.0 2.0
   58    60   -65    48   0.11100  1.0 3.0
   58    60    65    66   0.15000  1.0 3.0
   58    63    67    68   0.15000  1.0 3.0
   58    63    67    69   0.15000  1.0 3.0
   58    63   -67    72   0.34400  1.0 1.0
   58    63   -67    72   0.09450 -1.0 2.0
   58    63   -67    72   0.11100  1.0 3.0
   58    63    70    71  -0.07800  1.0 1.0
   58    63    70    71  -0.21500 -1.0 2.0
   58    63    70    71  -0.03150  1.0 3.0
   60    58    63    64   0.34800  1.0 3.0
   60    58    63    67   0.46850  1.0 1.0
   60    58    63    67   0.08550 -1.0 2.0
   60    58    63    67   0.09800  1.0 3.0
   60    58    63    70   0.18000  1.0 1.0
   60    58    63    70   0.16450 -1.0 2.0
   60    58    63    70   0.04450  1.0 3.0
   61    60    65    38   0.15000  1.0 3.0
   61    60    65    48   0.15000  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   62    60    65    38   0.15000  1.0 3.0
   62    60    65    48   0.15000  1.0 3.0
   62    60    65    66   0.15000  1.0 3.0
   65    38    41    42   0.30150 -1.0 2.0
   65    38   -41    45   0.36750  1.0 3.0
   65    48   -51    58   0.09850  1.0 1.0
   65    48   -51    58   0.15250 -1.0 2.0
   65    48   -51    58  -0.50650  1.0 3.0
   65    48    51    75   0.46850  1.0 1.0
   65    48    51    75   0.08550 -1.0 2.0
   65    48    51    75   0.09800  1.0 3.0
   63    58    60    61   0.34800  1.0 3.0
   63    58    60    62   0.34800  1.0 3.0
   63    58    60    65   0.46850  1.0 1.0
   63    58    60    65   0.08550 -1.0 2.0
   63    58    60    65   0.09800  1.0 3.0
   63    67    72    73   0.15000  1.0 3.0
   63    67    72    74   0.15000  1.0 3.0
   63    67    72    75   0.56750  1.0 1.0
   63    67    72    75  -0.07550 -1.0 2.0
   63    67    72    75   0.20000  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    69   0.15000  1.0 3.0
   64    63    67    72   0.15000  1.0 3.0
   64    63    70    71   0.19450  1.0 3.0
   67    63    70    71  -0.11600  1.0 1.0
   67    63    70    71  -0.09450 -1.0 2.0
   67    63    70    71   0.21250  1.0 3.0
   67    72   -75    51   0.34400  1.0 1.0
   67    72   -75    51   0.09450 -1.0 2.0
   67    72   -75    51   0.11100  1.0 3.0
   67    72    75    76   0.56750  1.0 1.0
   67    72    75    76  -0.07550 -1.0 2.0
   67    72    75    76   0.20000  1.0 3.0
   67    72    75    80   0.56750  1.0 1.0
   67    72    75    80  -0.07550 -1.0 2.0
   67    72    75    80   0.20000  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    75   0.15000  1.0 3.0
   69    67    72    73   0.15000  1.0 3.0
   69    67    72    74   0.15000  1.0 3.0
   69    67    72    75   0.15000  1.0 3.0
   72    75    76    77   0.15000  1.0 3.0
   72    75    76    78   0.15000  1.0 3.0
   72    75    76    79   0.15000  1.0 3.0
   72    75    80    81   0.15000  1.0 3.0
   72    75    80    82   0.15000  1.0 3.0
   72    75    80    83   0.15000  1.0 3.0
   73    72    75    51   0.15000  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    80   0.15000  1.0 3.0
   74    72    75    51   0.15000  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    80   0.15000  1.0 3.0
   75    51    58    60   7.00000 -1.0 2.0
   75    51   -58    63   7.00000 -1.0 2.0
   76    75    80    81   0.15000  1.0 3.0
   76    75    80    82   0.15000  1.0 3.0
   76    75    80    83   0.15000  1.0 3.0
   80    75    76    77   0.15000  1.0 3.0
   80    75    76    78   0.15000  1.0 3.0
   80    75    76    79   0.15000  1.0 3.0
   70    63    67    68   0.23400  1.0 3.0
   70    63    67    69   0.23400  1.0 3.0
   70    63    67    72   0.86500  1.0 1.0
   70    63    67    72  -0.17500 -1.0 2.0
   70    63    67    72   0.20800  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    41  -0.09450  1.0 1.0
   40    33    38    41  -1.12950 -1.0 2.0
   40    33    38    41   0.54000  1.0 3.0
   40    33    38    65   0.62750  1.0 1.0
   40    33    38    65  -0.30950 -1.0 2.0
   40    33    38    65   0.27300  1.0 3.0
   40    43    46    47   0.00000  1.0 1.0
   40    43    46    50   0.39000  1.0 1.0
   40    43    46    50  -0.05800 -1.0 2.0
   40    43    46    50  -0.55150  1.0 3.0
   40    43    59    52  -1.83450  1.0 1.0
   40    43    59    52  -0.02700 -1.0 2.0
   40    43    59    52  -0.20100  1.0 3.0
   43    46   -50    52   7.00000 -1.0 2.0
   43    46    50    54   7.00000 -1.0 2.0
   44    43    46    47   0.33100  1.0 3.0
   44    43    46    50   0.00000  1.0 1.0
   44    43    59    52   0.08050  1.0 3.0
   46    43   -59    52  -0.82050  1.0 1.0
   46    43   -59    52   0.00600 -1.0 2.0
   46    43   -59    52   0.04400  1.0 3.0
   46    50    52    53   1.00000 -1.0 2.0
   46    50   -52    59  -0.56150  1.0 1.0
   46    50   -52    59   2.19150 -1.0 2.0
   46    50    54    55   0.00000  1.0 1.0
   46    50    54    56   0.00000  1.0 1.0
   46    50    54    57   0.00000  1.0 1.0
   47    46    50    52   7.00000 -1.0 2.0
   47    46    50    54   7.00000 -1.0 2.0
   50    52   -59    43   2.00000 -1.0 2.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    56   0.15000  1.0 3.0
   52    50    54    57   0.15000  1.0 3.0
   53    52    59    43   3.00000 -1.0 2.0
   59    43    46    47   0.00000  1.0 1.0
   59    43   -46    50   0.39000  1.0 1.0
   59    43   -46    50  -0.05800 -1.0 2.0
   59    43   -46    50  -0.55150  1.0 3.0
   54    50    52    53  -0.64400  1.0 1.0
   54    50    52    53   0.26850 -1.0 2.0
   54    50    52    59  -0.15000  1.0 1.0
   54    50    52    59   0.89550 -1.0 2.0
   54    50    52    59  -0.06900  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    45    41    42  10.50000 -1.0 2.0
   48    75    51    58   1.10000 -1.0 2.0
   60    63    58    51   1.10000 -1.0 2.0
   43    47    46    50   1.10000 -1.0 2.0
   52    54    50    46   1.10000 -1.0 2.0
   50    59    52    53  10.50000 -1.0 2.0
END
