* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    158    239     459
    1     0 S   NP   _N1_     1    28.31607    95.88325   -19.30319
    2     1 S   H    _HN1     2     1.02832    45.33930   126.77006
    3     1 S   H    _H1_     3     1.02772    84.28525  -110.97728
    4     1 S   H    _H2_     4     1.02956    78.93991    -0.95654
    5     1 S   CT   _CA1     5     1.50147   155.63337   114.36018
    6     5 S   HC   _HA1     6     1.09573   105.18689    68.45703
    7     5 S   CO3  _C1_     7     1.53804   112.43496   -51.62099
    8     7 S   O2Z  _O11     8     1.26354   114.98144   -40.41156
    9     7 S   O2Z  _O12     9     1.26246   114.96195   138.60902
   10     5 S   CT   _CB1    10     1.53087   107.39237  -173.63468
   11    10 S   HC   HB11    11     1.09824   109.37034   -50.18535
   12    10 S   HC   HB12    12     1.09768   110.38591    66.33877
   13    10 S   CT   _CG1    13     1.52953   112.69459  -171.23864
   14    13 S   HC   HG11    14     1.09616   110.44210   -64.33070
   15    13 S   HC   HG12    15     1.09650   109.94108    54.89141
   16    13 S   C    _CD1    16     1.51825   112.40575   175.41811
   17    16 S   O    _OE1    17     1.22735   123.37968     1.17086
   18    16 S   N    _N2_    18     1.38495   111.57188  -179.42155
   19    18 S   H    _HN2    19     1.01572   118.91663     5.89714
   20    18 S   CT1  _CA2    20     1.45884   123.26880  -179.30818
   21    20 S   HC   _HA2    21     1.09609   108.86216    21.98364
   22    20 S   C    _C2_    22     1.52776   107.41481   -95.19459
   23    22 S   O    _O2_    23     1.22935   122.90846   -27.24666
   24    20 S   CT   _CB2    32     1.53159   111.70907   145.00752
   25    24 S   HC   HB21    33     1.09653   109.87316    56.07070
   26    24 S   HC   HB22    34     1.09537   111.81909   174.06333
   27    22 S   N    _N3_    24     1.38616   112.31902   155.63263
   28    27 S   H    _HN3    25     1.01491   119.74088     0.88691
   29    24 S   S    _SG2    35     1.82499   111.95593   -62.63931
   30    27 S   CT   _CA3    26     1.45453   122.87128   175.16220
   31    30 S   HC   HA31    27     1.09535   108.99897    29.47812
   32    30 S   HC   HA32    28     1.09479   107.16789   146.64601
   33    29 S   CT   _C24    36     1.83901   100.41407   -83.16047
   34    33 S   HC   _H3_    37     1.09640   108.37529    10.01420
   35    30 S   CO3  _C3_    29     1.53058   113.52538   -93.54950
   36    35 S   O2Z  _O31    30     1.26382   115.78232   -31.31652
   37    35 S   O2Z  _O32    31     1.26404   114.70344   149.53978
   38    33 S   CT   _C22    38     1.53000   107.65342  -105.64778
   39    38 S   HC   _H48    39     1.09544   112.35231   -60.34169
   40    38 S   HC   _H49    40     1.09564   110.42758   179.48566
   41    38 S   HC   _H50    41     1.09611   111.14697    60.81418
   42    33 S   CT   _C23    42     1.54621   113.75028   129.55958
   43    42 S   HC   _H51    43     1.09987   107.79729   172.70723
   44    42 S   CO4  _C14    44     1.52512   113.78588    56.71297
   45    44 S   O    _O24    45     1.22515   122.88758    85.43058
   46    42 S   CT   _C21    83     1.53155   112.48852   -72.05892
   47    46 S   HC   _H45    84     1.09305   112.17600    62.14038
   48    46 S   HC   _H46    85     1.09503   110.71777   -58.50665
   49    46 S   HC   _H47    86     1.09560   110.60415  -177.90819
   50    44 S   OS   _O27    46     1.36100   111.40151   -93.38377
   51    50 S   CT   _C15    47     1.44364   118.76979   179.58646
   52    51 S   HC   _H34    48     1.09665   110.81306   -15.11272
   53    51 S   CA   _C7_    49     1.50415   107.03530  -134.67450
   54    53 S   CA   _C8_    50     1.39882   121.09404  -102.21624
   55    54 S   CA   _C5_    51     1.39948   120.39189   179.15119
   56    55 S   HA   _H31    52     1.08778   120.03528   179.77186
   57    54 S   OS   _O26    64     1.36898   124.33875    -2.08102
   58    55 S   CA   _C4_    53     1.39596   120.62064    -1.03136
   59    58 S   HA   _H30    54     1.08707   119.10511  -179.22469
   60    57 S   CT   _C17    65     1.43927   117.30447    14.30086
   61    58 S   CA   _C6_    55     1.39396   119.89395     0.68842
   62    51 S   CT   _C16    66     1.53475   110.43618   105.56047
   63    62 S   HC   _H35    67     1.10071   107.71629  -168.46676
   64    60 S   CT   _C19    75     1.54062   105.47262  -158.62885
   65    64 S   HC   _H39    76     1.09652   110.90208   -55.66165
   66    64 S   HC   _H40    77     1.09479   112.03849  -176.85957
   67    64 S   HC   _H41    78     1.09624   110.77832    61.83922
   68    60 S   CT   _C20    79     1.53689   108.52935    86.47914
   69    68 S   HC   _H42    80     1.09643   110.47806    62.02101
   70    68 S   HC   _H43    81     1.09366   112.02338   -54.89675
   71    68 S   HC   _H44    82     1.09411   111.97990  -177.69828
   72    53 S   CA   _C9_    56     1.40406   120.99597    76.33330
   73    62 S   OS   _O28    68     1.44208   110.47842   -48.80287
   74    72 S   OS   _O25    57     1.41524   118.10014     1.70869
   75    73 S   CO4  _C13    69     1.36250   117.23982   -82.19837
   76    75 S   O    _O23    70     1.22296   126.41597    -1.30896
   77    74 S   CO4  _C12    58     1.38948   122.31844  -178.82764
   78    77 S   O    _O22    59     1.22581   122.17211   179.30283
   79    75 S   CT   _C18    71     1.49810   109.43348   178.45440
   80    79 S   HC   _H36    72     1.09300   109.78145   -61.21710
   81    79 S   HC   _H37    73     1.09374   109.36815   179.73533
   82    79 S   HC   _H38    74     1.09288   109.83794    60.67128
   83    77 S   CM   _C11    60     1.47292   116.60180    -0.83626
   84    83 S   HC   _H33    61     1.08418   117.15900  -179.82306
   85    61 S   CM   _C10    62     1.45360   121.87639  -179.69739
   86    85 S   HC   _H32    63     1.08453   118.98303     0.11869
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  14   8   2   1   1   7   3   2   1   9   7  10   3   4   2   1
   1   9  15   7  14  12   8   4  14   7   3  12   7  14   4   8
   3   2   1   4   2   1   1   6   6   5   5   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    50    46    47    48    49  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    50    51    46    47    48    49  
   44    45    50    46    47    48    49  
   45    50    51    52    53    62    46    47    48    49  
   50    51    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    54    72    60    62    63    73  
   52    53    54    55    61    72    74    57    60    62    63    73    75    64    68  
   53    54    72    60    62    63    73  
   54    55    56    58    61    72    74    77    85    57    60    62    63    73  
   55    56    58    59    61    72    74    57    60    62    64    68  
   56    58    59    61    72    85    57    60  
   58    59    61    57  
   60    62    63    73    64    65    66    67    68    69    70    71    58    72  
   59    61    72    74    83    85    86  
   61    72    85  
   62    63    73    75    64    65    66    67    68    69    70    71  
   72    74    77    83    84    85    86  
   63    73    75    76    79    64    65    66    67    68    69    70    71    72  
   73    75    64    68  
   65    66    67    68    69    70    71    73  
   66    67    68  
   67    68  
   68  
   69    70    71    73  
   70    71  
   71  
    0  
   74    77    78    83    85    86  
   75    76    79    80    81    82  
   77    78    83    84    85  
   76    79    80    81    82  
   79    80    81    82  
   78    83    84    85    86  
   83    84    85  
   80    81    82  
   81    82  
   82  
    0  
   84    85    86  
   85    86  
   86  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   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    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   317.000  1.510
   51    62   268.000  1.529
   53    54   469.000  1.400
   53    72   469.000  1.400
   54    55   469.000  1.400
   54    57   450.000  1.364
   55    56   367.000  1.080
   55    58   469.000  1.400
   58    59   367.000  1.080
   58    61   469.000  1.400
   61    72   469.000  1.400
   61    85   320.000  1.460
   72    74   450.000  1.364
   74    77   214.000  1.327
   77    78   570.000  1.229
   77    83   320.000  1.462
   83    84   340.000  1.080
   83    85   549.000  1.340
   85    86   340.000  1.080
   57    60   320.000  1.410
   60    62   268.000  1.529
   60    64   268.000  1.529
   60    68   268.000  1.529
   62    63   340.000  1.090
   62    73   320.000  1.410
   73    75   214.000  1.327
   75    76   570.000  1.229
   75    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    50    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   44    42    43    35.00000  109.50000
   44    50    51    83.00000  116.90000
   50    44    45    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    85.00000  111.85700
   50    51    62    50.00000  109.50000
   51    53    54    70.00000  120.00000
   51    53    72    70.00000  120.00000
   51    62    60    58.35000  112.70000
   51    62    63    37.50000  110.70000
   51    62    73    50.00000  109.50000
   53    51    52    35.00000  109.50000
   53    54    55    63.00000  120.00000
   53    54    57    70.00000  120.00000
   53    72    61    63.00000  120.00000
   53    72    74    70.00000  120.00000
   54    55    56    35.00000  120.00000
   54    55    58    63.00000  120.00000
   54    57    60    75.00000  111.00000
   55    58    59    35.00000  120.00000
   55    58    61    63.00000  120.00000
   58    55    56    35.00000  120.00000
   58    61    72    63.00000  120.00000
   58    61    85    60.00000  120.93500
   61    58    59    35.00000  120.00000
   61    72    74    70.00000  120.00000
   61    85    83    60.00000  123.20500
   61    85    86    40.00000  117.26300
   72    53    54    63.00000  120.00000
   72    74    77    85.00000  115.98000
   74    77    78    83.00000  123.40000
   74    77    83    90.00000  111.29400
   77    83    84    40.00000  117.72500
   77    83    85    65.00000  118.96000
   83    77    78    80.00000  123.72100
   83    85    86    35.00000  120.00000
   85    61    72    60.00000  120.93500
   85    83    84    35.00000  120.00000
   57    54    55    70.00000  120.00000
   57    60    62    50.00000  109.50000
   57    60    64    50.00000  109.50000
   57    60    68    50.00000  109.50000
   60    62    63    37.50000  110.70000
   60    62    73    50.00000  109.50000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    67    37.50000  110.70000
   60    68    69    37.50000  110.70000
   60    68    70    37.50000  110.70000
   60    68    71    37.50000  110.70000
   62    51    52    37.50000  110.70000
   62    51    53    70.00000  112.17500
   62    73    75    83.00000  116.90000
   73    62    63    35.00000  109.50000
   73    75    76    83.00000  123.40000
   73    75    79    81.00000  111.40000
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    82    35.00000  109.50000
   79    75    76    80.00000  120.40000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   64    60    62    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    60    62    58.35000  112.70000
   68    60    64    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    50   0.36750  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    49   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    50    51   1.63150  1.0 1.0
   42    44    50    51   2.92000 -1.0 2.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    50   0.00000  1.0 1.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    49  -0.11250  1.0 3.0
   44    50    51    52   0.08050  1.0 3.0
   44    50    51    53  -0.43900 -1.0 2.0
   44    50    51    53   0.14100  1.0 3.0
   44    50    51    62  -0.25900  1.0 1.0
   44    50    51    62  -0.47000 -1.0 2.0
   44    50    51    62   0.11750  1.0 3.0
   45    44    50    51   3.00000 -1.0 2.0
   50    51    53    54   0.64500  1.0 1.0
   50    51    53    54   0.14800 -1.0 2.0
   50    51    53    54   0.20650  1.0 3.0
   50    51    53    72   0.64500  1.0 1.0
   50    51    53    72   0.14800 -1.0 2.0
   50    51    53    72   0.20650  1.0 3.0
   50    51    62    60   0.62750  1.0 1.0
   50    51    62    60  -0.30950 -1.0 2.0
   50    51    62    60   0.27300  1.0 3.0
   50    51    62    63   0.23400  1.0 3.0
   50    51    62    73   1.11900  1.0 1.0
   50    51    62    73  -1.16350 -1.0 2.0
   50    51    62    73  -0.34150  1.0 3.0
   51    53    54    55   3.62500 -1.0 2.0
   51    53    54    57   3.62500 -1.0 2.0
   51    53    72    61   3.62500 -1.0 2.0
   51    53    72    74   3.62500 -1.0 2.0
   51    62    73    75  -0.25900  1.0 1.0
   51    62    73    75  -0.47000 -1.0 2.0
   51    62    73    75   0.11750  1.0 3.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    72   0.00000  1.0 1.0
   52    51    62    60   0.15000  1.0 3.0
   52    51    62    63   0.15000  1.0 3.0
   52    51    62    73   0.23400  1.0 3.0
   53    51    62    60  -0.03700  1.0 1.0
   53    51    62    60   0.37200 -1.0 2.0
   53    51    62    60  -0.47300  1.0 3.0
   53    51    62    63   0.43200  1.0 3.0
   53    51    62    73  -0.64350  1.0 1.0
   53    51    62    73  -0.04200 -1.0 2.0
   53    51    62    73   0.19800  1.0 3.0
   53    54    55    56   3.62500 -1.0 2.0
   53    54    55    58   3.62500 -1.0 2.0
   53    54   -57    60   1.63200 -1.0 2.0
   53    72    74    77   0.01300  1.0 1.0
   53    72    74    77   0.97950 -1.0 2.0
   53    72    74    77  -0.55700  1.0 3.0
   54    53    72    61   3.62500 -1.0 2.0
   54    53    72    74   3.62500 -1.0 2.0
   54    55    58    59   3.62500 -1.0 2.0
   54    55   -58    61   3.62500 -1.0 2.0
   54    57    60    62  -0.32850  1.0 1.0
   54    57    60    62  -0.35800 -1.0 2.0
   54    57    60    62   0.33950  1.0 3.0
   54    57    60    64  -0.32850  1.0 1.0
   54    57    60    64  -0.35800 -1.0 2.0
   54    57    60    64   0.33950  1.0 3.0
   54    57    60    68  -0.32850  1.0 1.0
   54    57    60    68  -0.35800 -1.0 2.0
   54    57    60    68   0.33950  1.0 3.0
   55    54    57    60   1.63200 -1.0 2.0
   55    58    61    72   3.62500 -1.0 2.0
   55    58    61    85   3.62500 -1.0 2.0
   56    55    58    59   3.62500 -1.0 2.0
   56    55    58    61   3.62500 -1.0 2.0
   58    61   -72    53   3.62500 -1.0 2.0
   58    61    72    74   3.62500 -1.0 2.0
   58    61    85    83   0.15800  1.0 1.0
   58    61    85    83   1.85350 -1.0 2.0
   58    61    85    83  -0.48700  1.0 3.0
   58    61    85    86   0.56550  1.0 3.0
   59    58    61    72   3.62500 -1.0 2.0
   59    58    61    85   3.62500 -1.0 2.0
   61    72    74    77   0.01300  1.0 1.0
   61    72    74    77   0.97950 -1.0 2.0
   61    72    74    77  -0.55700  1.0 3.0
   72    53   -54    55   3.62500 -1.0 2.0
   72    53    54    57   3.62500 -1.0 2.0
   72    61    85    83   0.15800  1.0 1.0
   72    61    85    83   1.85350 -1.0 2.0
   72    61    85    83  -0.48700  1.0 3.0
   72    61    85    86   0.56550  1.0 3.0
   72    74    77    78   3.00000 -1.0 2.0
   72    74   -77    83   2.00000 -1.0 2.0
   74    77    83    84   1.63100 -1.0 2.0
   74    77    83    85  -0.56150  1.0 1.0
   74    77    83    85   2.19150 -1.0 2.0
   77    83   -85    61   7.00000 -1.0 2.0
   77    83    85    86   7.00000 -1.0 2.0
   78    77    83    84   0.00000  1.0 1.0
   78    77    83    85   1.00000 -1.0 2.0
   84    83    85    61   7.00000 -1.0 2.0
   84    83    85    86   7.00000 -1.0 2.0
   85    61    72    53   3.62500 -1.0 2.0
   85    61   -72    74   3.62500 -1.0 2.0
   57    54    55    56   3.62500 -1.0 2.0
   57    54    55    58   3.62500 -1.0 2.0
   57    60   -62    51   0.62750  1.0 1.0
   57    60   -62    51  -0.30950 -1.0 2.0
   57    60   -62    51   0.27300  1.0 3.0
   57    60    62    63   0.23400  1.0 3.0
   57    60    62    73   1.11900  1.0 1.0
   57    60    62    73  -1.16350 -1.0 2.0
   57    60    62    73  -0.34150  1.0 3.0
   57    60    64    65   0.23400  1.0 3.0
   57    60    64    66   0.23400  1.0 3.0
   57    60    64    67   0.23400  1.0 3.0
   57    60    68    69   0.23400  1.0 3.0
   57    60    68    70   0.23400  1.0 3.0
   57    60    68    71   0.23400  1.0 3.0
   60    62    73    75  -0.25900  1.0 1.0
   60    62    73    75  -0.47000 -1.0 2.0
   60    62    73    75   0.11750  1.0 3.0
   62    51   -53    54   0.04150 -1.0 2.0
   62    51    53    72   0.04150 -1.0 2.0
   62    60    64    65   0.15000  1.0 3.0
   62    60    64    66   0.15000  1.0 3.0
   62    60    64    67   0.15000  1.0 3.0
   62    60    68    69   0.15000  1.0 3.0
   62    60    68    70   0.15000  1.0 3.0
   62    60    68    71   0.15000  1.0 3.0
   62    73    75    76   3.00000 -1.0 2.0
   62    73    75    79   1.63150  1.0 1.0
   62    73    75    79   2.92000 -1.0 2.0
   63    62    73    75   0.08050  1.0 3.0
   73    75    79    80   0.00000  1.0 1.0
   73    75    79    81   0.00000  1.0 1.0
   73    75    79    82   0.00000  1.0 1.0
   76    75    79    80   0.00000  1.0 1.0
   76    75    79    81   0.00000  1.0 1.0
   76    75    79    82   0.00000  1.0 1.0
   64    60    62    51   0.56750  1.0 1.0
   64    60    62    51  -0.07550 -1.0 2.0
   64    60    62    51   0.20000  1.0 3.0
   64    60    62    63   0.15000  1.0 3.0
   64    60    62    73   0.62750  1.0 1.0
   64    60    62    73  -0.30950 -1.0 2.0
   64    60    62    73   0.27300  1.0 3.0
   64    60    68    69   0.15000  1.0 3.0
   64    60    68    70   0.15000  1.0 3.0
   64    60    68    71   0.15000  1.0 3.0
   68    60    62    51   0.56750  1.0 1.0
   68    60    62    51  -0.07550 -1.0 2.0
   68    60    62    51   0.20000  1.0 3.0
   68    60    62    63   0.15000  1.0 3.0
   68    60    62    73   0.62750  1.0 1.0
   68    60    62    73  -0.30950 -1.0 2.0
   68    60    62    73   0.27300  1.0 3.0
   68    60    64    65   0.15000  1.0 3.0
   68    60    64    66   0.15000  1.0 3.0
   68    60    64    67   0.15000  1.0 3.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    50   0.36750  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   42    50    44    45  10.50000 -1.0 2.0
   54    72    53    51   4.00000 -1.0 2.0
   55    57    54    53   4.00000 -1.0 2.0
   58    56    55    54   1.10000 -1.0 2.0
   61    59    58    55   1.10000 -1.0 2.0
   72    85    61    58   4.00000 -1.0 2.0
   61    74    72    53   4.00000 -1.0 2.0
   74    83    77    78  10.50000 -1.0 2.0
   77    84    83    85   1.10000 -1.0 2.0
   61    86    85    83   1.10000 -1.0 2.0
   73    79    75    76  10.50000 -1.0 2.0
END
