* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    144    215     417
    1     0 S   NP   _N1_     1    29.03280    94.76731   -19.20853
    2     1 S   H    _HN1     2     1.02837    31.69737   156.47601
    3     1 S   H    _H1_     3     1.02781    79.77080   -51.14650
    4     1 S   H    _H2_     4     1.02963   103.26834    55.43132
    5     1 S   CT   _CA1     5     1.50110   137.29028  -162.93885
    6     5 S   HC   _HA1     6     1.09579   105.24461    37.69784
    7     5 S   CO3  _C1_     7     1.53787   112.35737   -82.44464
    8     7 S   O2Z  _O11     8     1.26346   115.05959   -45.09079
    9     7 S   O2Z  _O12     9     1.26237   114.91739   134.24250
   10     5 S   CT   _CB1    10     1.53117   107.41109   155.48900
   11    10 S   HC   HB11    11     1.09804   109.23114   -51.53814
   12    10 S   HC   HB12    12     1.09827   110.46550    64.94677
   13    10 S   CT   _CG1    13     1.52999   112.68604  -172.86084
   14    13 S   HC   HG11    14     1.09439   110.22821   -61.27768
   15    13 S   HC   HG12    15     1.09625   110.27570    57.52118
   16    13 S   C    _CD1    16     1.51813   111.93489   177.07926
   17    16 S   O    _OE1    17     1.22774   122.80036   -26.34475
   18    16 S   N    _N2_    18     1.38532   112.12412   155.63336
   19    18 S   H    _HN2    19     1.01589   119.10924    -1.25959
   20    18 S   CT1  _CA2    20     1.46210   123.45286   177.89662
   21    20 S   HC   _HA2    21     1.09746   109.30043   -17.12772
   22    20 S   C    _C2_    22     1.53503   107.81539  -132.47651
   23    22 S   O    _O2_    23     1.23000   122.38586  -144.25145
   24    20 S   CT   _CB2    32     1.53559   111.82615   105.35456
   25    24 S   HC   HB21    33     1.09398   109.58241    52.40072
   26    24 S   HC   HB22    34     1.09415   109.67178   171.19730
   27    22 S   N    _N3_    24     1.38554   113.26055    43.02029
   28    27 S   H    _HN3    25     1.01530   118.92521    -0.41684
   29    24 S   S    _SG2    35     1.82901   111.72262   -69.65166
   30    27 S   CT   _CA3    26     1.45450   123.38185   175.06692
   31    30 S   HC   HA31    27     1.09528   109.12544    26.14117
   32    30 S   HC   HA32    28     1.09491   107.13256   143.15093
   33    29 S   CT   _C11    36     1.85890   101.75350   169.93002
   34    30 S   CO3  _C3_    29     1.52950   113.26684   -97.24398
   35    34 S   O2Z  _O31    30     1.26392   115.49422   -41.57426
   36    34 S   O2Z  _O32    31     1.26369   114.91723   139.37232
   37    33 S   CT   _C7_    37     1.55485   113.47111   -65.53931
   38    37 S   HC   _H3_    38     1.09873   108.25601    73.05528
   39    33 S   CT   _C12    77     1.54075   108.42094    59.34701
   40    39 S   HC   _H11    78     1.09695   111.65638    50.28157
   41    39 S   HC   _H12    79     1.09482   111.98692   -71.53068
   42    39 S   HC   _H13    80     1.09597   111.82009   168.78843
   43    37 S   CT   _C8_    39     1.56762   111.58741  -168.95532
   44    43 S   HC   _H4_    40     1.09768   106.85812   -68.88475
   45    37 S   CO4  _C6_    67     1.53278   111.59998   -44.35034
   46    45 S   O    _O34    68     1.22379   125.24669   -56.07793
   47    43 S   CA   _C16    41     1.53821   111.15856   175.09096
   48    43 S   CM   _C9_    52     1.53018   112.54964    42.79673
   49    45 S   OS   _O33    69     1.36639   109.36260   125.15297
   50    47 S   CA   _C17    42     1.41033   119.83453   -90.39230
   51    50 S   HA   _H20    43     1.08824   120.71222    -0.60198
   52    48 S   CM   _C10    53     1.35282   121.40062   -16.33692
   53    48 S   CO4  _C14    60     1.48446   118.53233   166.42873
   54    53 S   O    _O35    61     1.22128   124.50439  -126.43472
   55    49 S   CT   _C5_    70     1.43439   115.33677   177.26190
   56    55 S   HC   _H8_    71     1.09545   109.47692   -60.81661
   57    55 S   HC   _H9_    72     1.09456   109.51589    59.38743
   58    50 S   CA   _C18    44     1.39405   121.57075   178.75778
   59    58 S   HA   _H21    45     1.08645   119.91005   179.85735
   60    33 S   NE   _N4_    54     1.45842   106.83401   175.13433
   61    60 S   H    _H10    55     1.01528   117.15211   -31.94527
   62    52 S   CT   _C13    56     1.50784   124.86180  -179.00456
   63    62 S   HC   _H14    57     1.09622   110.33821   135.52544
   64    62 S   HC   _H15    58     1.09265   113.64170    16.44102
   65    62 S   HC   _H16    59     1.09488   109.96217  -105.28534
   66    53 S   OS   _O36    62     1.35925   108.44109    52.89945
   67    55 S   CT   _C4_    73     1.51500   108.09049   179.46881
   68    67 S   HC   _H5_    74     1.09500   110.61650   -59.51624
   69    67 S   HC   _H6_    75     1.09508   110.57543    58.68229
   70    67 S   HC   _H7_    76     1.09322   110.94245   179.52812
   71    58 S   CA   _C19    46     1.38891   120.00647    -0.46352
   72    71 S   HA   _H22    47     1.08711   119.16455  -179.91377
   73    66 S   CT   _C15    63     1.43003   115.07578  -178.60914
   74    73 S   HC   _H17    64     1.09325   108.10610   179.75611
   75    73 S   HC   _H18    65     1.09430   110.26718    61.09536
   76    73 S   HC   _H19    66     1.09421   110.30374   -61.51331
   77    71 S   CA   _C20    48     1.39565   119.89899    -0.36316
   78    77 S   Cl   Cl2_    49     1.73181   117.07814  -179.41987
   79    47 S   CA   _C21    50     1.41489   122.28033    86.95942
   80    79 S   Cl   Cl1_    51     1.73866   120.47590     0.58917
  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  12   5   4   3
  17   2   1   1  19   9   8   3   2   1  18   7   9   2  12  13
   7   8   4   9   8   2   6   5   4   6   3   5   1   3   2   1
   1   4   3   2   1   1   5   3   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    60    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    52    60    61    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    47    48    52    60    61    62    45    46    49    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    47    50    79    48    52    60    61    53    45    46    49    55    39    40    41    42  
   43    44    47    48    60    45    46    49    39  
   40    41    42    43    45    52    60    61  
   41    42    60  
   42    60  
   60  
   44    47    50    51    58    77    79    80    48    52    60    62    53    54    66    45    46    49  
   47    50    79    48    52    53    45  
   46    49    55    56    57    67    47    48    60  
   49    55  
   50    51    58    59    71    77    78    79    80    48    52    53  
   52    60    61    62    63    64    65    53    54    66    73    50    79  
   55    56    57    67    68    69    70  
   51    58    59    71    72    77    79    80  
   58    59    71    79  
   60    61    62    63    64    65    53    54    66  
   54    66    73    74    75    76    60    62  
   66    73  
   56    57    67    68    69    70  
   57    67    68    69    70  
   67    68    69    70  
   59    71    72    77    78    79  
   71    72    77  
   61    62    63    64    65  
   62  
   63    64    65  
   64    65  
   65  
    0  
   73    74    75    76  
   68    69    70  
   69    70  
   70  
    0  
   72    77    78    79    80  
   77    78    79  
   74    75    76  
   75    76  
   76  
    0  
   78    79    80  
   79    80  
   80  
    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   0.402800   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   61   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   79   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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   268.000  1.529
   33    60   382.000  1.448
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   268.000  1.529
   37    45   317.000  1.522
   43    44   340.000  1.090
   43    47   317.000  1.510
   43    48   317.000  1.510
   47    50   469.000  1.400
   47    79   469.000  1.400
   50    51   367.000  1.080
   50    58   469.000  1.400
   58    59   367.000  1.080
   58    71   469.000  1.400
   71    72   367.000  1.080
   71    77   469.000  1.400
   77    78   300.000  1.725
   77    79   469.000  1.400
   79    80   300.000  1.725
   48    52   549.000  1.340
   48    53   320.000  1.462
   52    60   425.000  1.378
   52    62   317.000  1.510
   60    61   434.000  1.010
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   53    54   570.000  1.229
   53    66   214.000  1.327
   66    73   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   45    46   570.000  1.229
   45    49   214.000  1.327
   49    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    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  111.63000
   29    33    60    80.00000  108.62000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    37    45    63.00000  111.10000
   33    60    52    50.00000  121.00000
   33    60    61    35.00000  112.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    37.50000  110.70000
   37    43    47    70.00000  112.17500
   37    43    48    70.00000  112.02700
   37    45    46    80.00000  120.40000
   37    45    49    81.00000  111.40000
   43    37    38    37.50000  110.70000
   43    47    50    70.00000  120.00000
   43    47    79    70.00000  120.00000
   43    48    52    70.00000  124.00000
   43    48    53    65.00000  116.34900
   47    43    44    35.00000  109.50000
   47    50    51    35.00000  120.00000
   47    50    58    63.00000  120.00000
   47    79    77    63.00000  120.00000
   47    79    80    75.00000  120.00000
   50    58    59    35.00000  120.00000
   50    58    71    63.00000  120.00000
   58    50    51    35.00000  120.00000
   58    71    72    35.00000  120.00000
   58    71    77    63.00000  120.00000
   71    58    59    35.00000  120.00000
   71    77    78    75.00000  120.00000
   71    77    79    63.00000  120.00000
   77    71    72    35.00000  120.00000
   77    79    80    75.00000  120.00000
   79    47    50    63.00000  120.00000
   79    77    78    75.00000  120.00000
   48    43    44    35.00000  109.50000
   48    43    47    70.00000  112.99600
   48    52    60    70.00000  124.03900
   48    52    62    70.00000  124.00000
   48    53    54    80.00000  123.72100
   48    53    66    90.00000  111.29400
   52    60    61    35.00000  114.50000
   52    62    63    35.00000  109.50000
   52    62    64    35.00000  109.50000
   52    62    65    35.00000  109.50000
   60    33    37    80.00000  111.61500
   62    52    60    75.00000  116.24600
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   53    48    52    65.00000  118.96000
   53    66    73    83.00000  116.90000
   66    53    54    83.00000  123.40000
   66    73    74    35.00000  109.50000
   66    73    75    35.00000  109.50000
   66    73    76    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   45    37    38    35.00000  109.50000
   45    37    43    63.00000  111.10000
   45    49    55    83.00000  116.90000
   49    45    46    83.00000  123.40000
   49    55    56    35.00000  109.50000
   49    55    57    35.00000  109.50000
   49    55    67    50.00000  109.50000
   55    67    68    37.50000  110.70000
   55    67    69    37.50000  110.70000
   55    67    70    37.50000  110.70000
   57    55    56    33.00000  107.80000
   67    55    56    37.50000  110.70000
   67    55    57    37.50000  110.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    60    80.00000  111.61500
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    60   0.01700  1.0 1.0
   24    29    33    60  -0.23550 -1.0 2.0
   24    29    33    60   0.21350  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    37    38   0.15000  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    45   0.56750  1.0 1.0
   29    33    37    45  -0.07550 -1.0 2.0
   29    33    37    45   0.20000  1.0 3.0
   29    33    60    52  -0.12500  1.0 1.0
   29    33    60    52  -0.12500 -1.0 2.0
   29    33    60    52   0.25000  1.0 3.0
   29    33    60    61  -0.12500  1.0 1.0
   29    33    60    61  -0.12500 -1.0 2.0
   29    33    60    61   0.25000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    47  -0.03700  1.0 1.0
   33    37    43    47   0.37200 -1.0 2.0
   33    37    43    47  -0.47300  1.0 3.0
   33    37    43    48   0.34400  1.0 1.0
   33    37    43    48   0.09450 -1.0 2.0
   33    37    43    48   0.11100  1.0 3.0
   33    37    45    46   0.30150 -1.0 2.0
   33    37    45    49   0.36750  1.0 3.0
   37    33    60    52   0.25450  1.0 1.0
   37    33    60    52  -0.61700 -1.0 2.0
   37    33    60    52  -0.23550  1.0 3.0
   37    33    60    61   0.00000  1.0 1.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    47    50   0.04150 -1.0 2.0
   37    43    47    79   0.04150 -1.0 2.0
   37    43   -48    52   0.09850  1.0 1.0
   37    43   -48    52   0.15250 -1.0 2.0
   37    43   -48    52  -0.50650  1.0 3.0
   37    43    48    53   0.09700  1.0 1.0
   37    43    48    53   0.15600 -1.0 2.0
   37    43    48    53  -0.50800  1.0 3.0
   37    45    49    55   1.63150  1.0 1.0
   37    45    49    55   2.92000 -1.0 2.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    47   0.43200  1.0 3.0
   38    37    43    48   0.15000  1.0 3.0
   38    37    45    46   0.00000  1.0 1.0
   38    37    45    49   0.00000  1.0 1.0
   43    37    45    46   0.30150 -1.0 2.0
   43    37    45    49   0.36750  1.0 3.0
   43    47    50    51   3.62500 -1.0 2.0
   43    47    50    58   3.62500 -1.0 2.0
   43    47    79    77   3.62500 -1.0 2.0
   43    47    79    80   3.62500 -1.0 2.0
   43    48    52    60   7.00000 -1.0 2.0
   43    48    52    62   7.00000 -1.0 2.0
   43    48    53    54  -0.64400  1.0 1.0
   43    48    53    54   0.26850 -1.0 2.0
   43    48    53    66  -0.15000  1.0 1.0
   43    48    53    66   0.89550 -1.0 2.0
   43    48    53    66  -0.06900  1.0 3.0
   44    43    47    50   0.00000  1.0 1.0
   44    43    47    79   0.00000  1.0 1.0
   44    43    48    52   0.00000  1.0 1.0
   44    43    48    53   0.15000  1.0 3.0
   47    43    48    52   1.44450  1.0 1.0
   47    43    48    52   0.06600 -1.0 2.0
   47    43    48    52   0.29250  1.0 3.0
   47    43    48    53   0.09700  1.0 1.0
   47    43    48    53   0.15600 -1.0 2.0
   47    43    48    53  -0.50800  1.0 3.0
   47    50    58    59   3.62500 -1.0 2.0
   47    50    58    71   3.62500 -1.0 2.0
   50    47    79    77   3.62500 -1.0 2.0
   50    47    79    80   3.62500 -1.0 2.0
   50    58    71    72   3.62500 -1.0 2.0
   50    58   -71    77   3.62500 -1.0 2.0
   51    50    58    59   3.62500 -1.0 2.0
   51    50    58    71   3.62500 -1.0 2.0
   58    71    77    78   3.62500 -1.0 2.0
   58    71    77    79   3.62500 -1.0 2.0
   59    58    71    72   3.62500 -1.0 2.0
   59    58    71    77   3.62500 -1.0 2.0
   71    77   -79    47   3.62500 -1.0 2.0
   71    77    79    80   3.62500 -1.0 2.0
   72    71    77    78   3.62500 -1.0 2.0
   72    71    77    79   3.62500 -1.0 2.0
   78    77    79    47   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   79    47    50    51   3.62500 -1.0 2.0
   79    47   -50    58   3.62500 -1.0 2.0
   48    43    47    50   0.18050 -1.0 2.0
   48    43    47    79   0.18050 -1.0 2.0
   48    52   -60    33  -0.54700  1.0 1.0
   48    52   -60    33   1.23000 -1.0 2.0
   48    52    60    61   1.00000 -1.0 2.0
   48    52    62    63   0.00000  1.0 1.0
   48    52    62    64   0.00000  1.0 1.0
   48    52    62    65   0.00000  1.0 1.0
   48    53    66    73   2.00000 -1.0 2.0
   52    48    53    54   1.00000 -1.0 2.0
   52    48    53    66  -0.56150  1.0 1.0
   52    48    53    66   2.19150 -1.0 2.0
   60    33    37    38   0.22950  1.0 3.0
   60    33   -37    43   1.26750  1.0 1.0
   60    33   -37    43  -0.00950 -1.0 2.0
   60    33   -37    43   0.30600  1.0 3.0
   60    33    37    45  -2.10200  1.0 1.0
   60    33    37    45  -0.31600 -1.0 2.0
   60    33    37    45   0.13050  1.0 3.0
   60    33    39    40   0.22950  1.0 3.0
   60    33    39    41   0.22950  1.0 3.0
   60    33    39    42   0.22950  1.0 3.0
   60    52    62    63  -0.18050  1.0 3.0
   60    52    62    64  -0.18050  1.0 3.0
   60    52    62    65  -0.18050  1.0 3.0
   62    52    60    33   1.00000 -1.0 2.0
   62    52    60    61   2.40850 -1.0 2.0
   53    48    52    60   7.00000 -1.0 2.0
   53    48    52    62   7.00000 -1.0 2.0
   53    66    73    74   0.08050  1.0 3.0
   53    66    73    75   0.08050  1.0 3.0
   53    66    73    76   0.08050  1.0 3.0
   54    53    66    73   3.00000 -1.0 2.0
   45    37    43    44  -0.11250  1.0 3.0
   45    37    43    47   0.56750  1.0 1.0
   45    37    43    47  -0.07550 -1.0 2.0
   45    37    43    47   0.20000  1.0 3.0
   45    37    43    48  -0.98800  1.0 1.0
   45    37    43    48   0.48800 -1.0 2.0
   45    37    43    48   0.76800  1.0 3.0
   45    49    55    56   0.08050  1.0 3.0
   45    49    55    57   0.08050  1.0 3.0
   45    49    55    67  -0.25900  1.0 1.0
   45    49    55    67  -0.47000 -1.0 2.0
   45    49    55    67   0.11750  1.0 3.0
   46    45    49    55   3.00000 -1.0 2.0
   49    55    67    68   0.23400  1.0 3.0
   49    55    67    69   0.23400  1.0 3.0
   49    55    67    70   0.23400  1.0 3.0
   56    55    67    68   0.15000  1.0 3.0
   56    55    67    69   0.15000  1.0 3.0
   56    55    67    70   0.15000  1.0 3.0
   57    55    67    68   0.15000  1.0 3.0
   57    55    67    69   0.15000  1.0 3.0
   57    55    67    70   0.15000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  1.0 3.0
   39    33    37    45  -0.95700  1.0 1.0
   39    33    37    45  -0.18200 -1.0 2.0
   39    33    37    45   0.29450  1.0 3.0
   39    33    60    52   0.25450  1.0 1.0
   39    33    60    52  -0.61700 -1.0 2.0
   39    33    60    52  -0.23550  1.0 3.0
   39    33    60    61   0.00000  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
   35    30    34    36  10.50000 -1.0 2.0
   50    79    47    43   4.00000 -1.0 2.0
   58    51    50    47   1.10000 -1.0 2.0
   71    59    58    50   1.10000 -1.0 2.0
   77    72    71    58   1.10000 -1.0 2.0
   79    78    77    71   4.00000 -1.0 2.0
   77    80    79    47   4.00000 -1.0 2.0
   43    53    48    52   1.10000 -1.0 2.0
   62    60    52    48   1.10000 -1.0 2.0
   61    52    60    33   1.00000 -1.0 2.0
   48    66    53    54  10.50000 -1.0 2.0
   37    49    45    46  10.50000 -1.0 2.0
END
