* LIGAND DATABASE FILE (OPLS2005)
*
001      88    90    164    244     472
    1     0 S   NP   _N1_     1    30.40024    99.12977   -16.19364
    2     1 S   H    _HN1     2     1.02957    62.84931    16.98082
    3     1 S   H    _H1_     3     1.02832    79.29232   132.57178
    4     1 S   H    _H2_     4     1.02785    65.19368  -111.85401
    5     1 S   CT   _CA1     5     1.50092   169.68678   -34.04184
    6     5 S   HC   _HA1     6     1.09562   105.28058  -134.84931
    7     5 S   CO3  _C1_     7     1.53883   112.47695   104.73508
    8     7 S   O2Z  _O11     8     1.26370   114.99664   -40.73717
    9     7 S   O2Z  _O12     9     1.26248   114.99973   138.57139
   10     5 S   CT   _CB1    10     1.53077   107.43994   -16.65903
   11    10 S   HC   HB11    11     1.09819   109.70270   -48.48131
   12    10 S   HC   HB12    12     1.09766   110.24345    68.18571
   13    10 S   CT   _CG1    13     1.52901   112.52228  -169.48116
   14    13 S   HC   HG11    14     1.09573   110.48207   -59.78595
   15    13 S   HC   HG12    15     1.09641   109.99331    59.43428
   16    13 S   C    _CD1    16     1.51734   112.39651  -179.84549
   17    16 S   O    _OE1    17     1.22686   123.42714    -1.22477
   18    16 S   N    _N2_    18     1.38583   111.39979   178.15093
   19    18 S   H    _HN2    19     1.01591   118.88403     4.53561
   20    18 S   CT1  _CA2    20     1.45930   123.59338  -178.26066
   21    20 S   HC   _HA2    21     1.09718   109.42629    -0.57607
   22    20 S   C    _C2_    22     1.53548   108.37560  -116.03879
   23    22 S   O    _O2_    23     1.23046   122.35095  -147.92259
   24    20 S   CT   _CB2    32     1.53421   111.63153   121.51985
   25    24 S   HC   HB21    33     1.09474   110.74194    55.86923
   26    24 S   HC   HB22    34     1.09555   109.73928   173.40745
   27    22 S   N    _N3_    24     1.38349   113.65601    39.52028
   28    27 S   H    _HN3    25     1.01603   119.57174    -3.30126
   29    24 S   S    _SG2    35     1.83273   113.03480   -68.76448
   30    27 S   CT   _CA3    26     1.45291   123.15981   177.10673
   31    30 S   HC   HA31    27     1.09550   107.49262   -64.86194
   32    30 S   HC   HA32    28     1.09558   107.99856    51.56874
   33    29 S   CT   _C8_    36     1.85853   100.78788    95.55271
   34    33 S   HC   _H4_    37     1.09167   102.96378   -42.73066
   35    30 S   CO3  _C3_    29     1.52943   114.10811   173.56977
   36    35 S   O2Z  _O31    30     1.26369   116.06360    -1.04042
   37    35 S   O2Z  _O32    31     1.26428   114.41263   179.02904
   38    33 S   CT   _C7_    38     1.55741   110.96157  -156.00298
   39    38 S   HC   _H3_    39     1.09885   107.28701   162.02961
   40    38 S   CO4  _C14    40     1.53017   109.07702   -84.15590
   41    40 S   O    _O34    41     1.22630   124.52076   125.63441
   42    38 S   CT   _C6_    79     1.54174   115.56915    44.02056
   43    42 S   HC   _H12    80     1.09657   110.91489   -78.42275
   44    42 S   HC   _H13    81     1.09549   109.33179    39.97736
   45    40 S   CM   _C13    42     1.48041   115.41698   -58.63174
   46    45 S   HC   _H14    43     1.08139   119.35028  -142.64518
   47    42 S   CT   _C5_    82     1.53412   112.26939   159.68595
   48    47 S   HC   _H10    83     1.09596   109.75067   -58.39238
   49    47 S   HC   _H11    84     1.09509   110.55431    59.55429
   50    45 S   CM   _C12    44     1.33546   116.46942    31.64532
   51    47 S   CT   _C4_    85     1.52081   111.40509  -179.20919
   52    51 S   HC   _H7_    86     1.09464   110.96896   -60.76613
   53    51 S   HC   _H8_    87     1.09447   110.24286   179.50544
   54    51 S   HC   _H9_    88     1.09431   111.07976    59.77050
   55    33 S   CT   _C9_    45     1.57486   115.98109    75.48054
   56    55 S   CT   _C10    46     1.54602   114.71178  -133.20737
   57    56 S   HC   _H5_    47     1.09702   110.44036    82.16682
   58    55 S   OS   _O37    74     1.44689   111.91216   -14.66698
   59    56 S   CT   _C11    48     1.55668   102.28532  -158.95468
   60    59 S   HC   _H6_    49     1.09827   110.71204   142.75451
   61    56 S   CT   _C23    70     1.53669   116.63843   -40.30547
   62    61 S   HC   _H24    71     1.09433   112.29184   -56.45153
   63    61 S   HC   _H25    72     1.09611   109.97522  -175.87559
   64    61 S   HC   _H26    73     1.09312   111.84568    65.83151
   65    58 S   CT   _C24    75     1.42445   117.42471    90.87034
   66    65 S   HC   _H27    76     1.09359   107.89981  -164.41903
   67    65 S   HC   _H28    77     1.09300   110.43518    78.13562
   68    65 S   HC   _H29    78     1.09253   112.64305   -44.55338
   69    59 S   CA   _C15    50     1.52076   115.02118   -97.38106
   70    50 S   OS   _O33    69     1.38539   121.42470  -166.39659
   71    69 S   CA   _C16    51     1.40130   119.36450   -58.18768
   72    71 S   HA   _H15    52     1.08792   120.28385     0.51244
   73    71 S   CA   _C17    53     1.39675   121.10438  -179.27801
   74    73 S   HA   _H16    54     1.08548   117.66003  -179.67374
   75    73 S   CA   _C18    55     1.39680   120.34565     0.48173
   76    75 S   CA   _C19    56     1.40649   119.38853     0.41543
   77    75 S   OS   _O36    64     1.37319   124.62554  -179.84423
   78    69 S   CA   _C20    57     1.40332   122.34692   124.26437
   79    78 S   HA   _H17    58     1.08527   118.62173    -0.60133
   80    76 S   OS   _O35    59     1.37414   115.77830   179.61285
   81    77 S   CT   _C22    65     1.42223   117.30052     0.87715
   82    81 S   HC   _H21    66     1.09430   107.73859   179.45464
   83    81 S   HC   _H22    67     1.09498   111.16578    61.72829
   84    81 S   HC   _H23    68     1.09493   111.12446   -62.84677
   85    80 S   CT   _C21    60     1.42214   117.42338   177.18840
   86    85 S   HC   _H18    61     1.09429   107.72974  -178.05972
   87    85 S   HC   _H19    62     1.09486   111.08330    64.29633
   88    85 S   HC   _H20    63     1.09507   111.21886   -60.33023
  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
  19   8   2   1   1  16   8  10   4  11   5   4   7   3   6   5
   4  10   3   2   1   1  15  13   9   7  13   5   5   2   1   1
   3   2   1   1  10   2   8   4   7   3  10   9   6   3   1   4
   3   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    55    56    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    50    55    56    57    59    70    61    58    65    42    43    44    47  
   38    39    40    50    55    56    58    42  
   36    37  
   37  
    0  
   39    40    41    45    46    50    55    56    58    42    43    44    47    48    49    51  
   40    41    45    55    42    43    44    47  
   41    45    46    50    55    70    42    43    44    47  
   45    46    50    42  
   43    44    47    48    49    51    52    53    54    45    55  
   44    47    48    49    51  
   47    48    49    51  
   46    50    55    56    59    70    58  
   50    55    70  
   48    49    51    52    53    54  
   49    51    52    53    54  
   51    52    53    54  
   55    56    57    59    60    69    70    61    58    65  
   52    53    54  
   53    54  
   54  
    0  
   56    57    59    60    69    70    61    62    63    64    58    65    66    67    68  
   57    59    60    69    71    78    70    61    62    63    64    58    65  
   59    60    69    70    61    62    63    64    58  
   65    66    67    68    59    61    70  
   60    69    71    72    73    76    78    79    70    61    62    63    64  
   69    71    78    70    61  
   62    63    64    69    70  
   63    64  
   64  
    0  
   66    67    68  
   67    68  
   68  
    0  
   71    72    73    74    75    76    78    79    80    70  
   71    78  
   72    73    74    75    76    78    79    77  
   73    74    75    78  
   74    75    76    78    80    77    81  
   75    76    77  
   76    78    79    80    85    77    81    82    83    84  
   78    79    80    85    86    87    88    77    81  
   81    82    83    84    78    80  
   79    80    85  
   80  
   85    86    87    88  
   82    83    84  
   83    84  
   84  
    0  
   86    87    88  
   87    88  
   88  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760   0.016000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   70   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   77   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    55   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   268.000  1.529
   40    41   570.000  1.229
   40    45   320.000  1.462
   45    46   340.000  1.080
   45    50   549.000  1.340
   50    55   317.000  1.510
   50    70   440.000  1.360
   55    56   268.000  1.529
   55    58   320.000  1.410
   56    57   340.000  1.090
   56    59   268.000  1.529
   56    61   268.000  1.529
   59    60   340.000  1.090
   59    69   317.000  1.510
   59    70   320.000  1.410
   69    71   469.000  1.400
   69    78   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   469.000  1.400
   75    77   450.000  1.364
   76    78   469.000  1.400
   76    80   450.000  1.364
   78    79   367.000  1.080
   80    85   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   77    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   58    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    55    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    58.35000  112.70000
   33    55    50    70.00000  112.02700
   33    55    56    58.35000  112.70000
   33    55    58    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    45    65.00000  118.62400
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    47    58.35000  112.70000
   40    38    39    35.00000  109.50000
   40    45    46    40.00000  117.72500
   40    45    50    65.00000  118.96000
   45    40    41    80.00000  123.72100
   45    50    55    70.00000  124.00000
   45    50    70    80.00000  120.01400
   50    45    46    35.00000  120.00000
   50    55    56    70.00000  112.02700
   50    55    58    85.00000  110.90400
   50    70    59    90.00000  111.18400
   55    33    34    37.50000  110.70000
   55    33    38    58.35000  112.70000
   55    56    57    37.50000  110.70000
   55    56    59    58.35000  112.70000
   55    56    61    58.35000  112.70000
   55    58    65    60.00000  109.50000
   56    59    60    37.50000  110.70000
   56    59    69    70.00000  112.17500
   56    59    70    50.00000  109.50000
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    64    37.50000  110.70000
   59    56    57    37.50000  110.70000
   59    69    71    70.00000  120.00000
   59    69    78    70.00000  120.00000
   69    59    60    35.00000  109.50000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   69    78    76    63.00000  120.00000
   69    78    79    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    63.00000  120.00000
   73    75    77    70.00000  120.00000
   75    73    74    35.00000  120.00000
   75    76    78    63.00000  120.00000
   75    76    80    70.00000  120.00000
   75    77    81    75.00000  111.00000
   76    78    79    35.00000  120.00000
   76    80    85    75.00000  111.00000
   78    69    71    63.00000  120.00000
   80    76    78    70.00000  120.00000
   80    85    86    35.00000  109.50000
   80    85    87    35.00000  109.50000
   80    85    88    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   77    75    76    70.00000  120.00000
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   70    50    55    85.00000  112.85300
   70    59    60    35.00000  109.50000
   70    59    69    85.00000  111.85700
   61    56    57    37.50000  110.70000
   61    56    59    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   58    55    56    50.00000  109.50000
   58    65    66    35.00000  109.50000
   58    65    67    35.00000  109.50000
   58    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    63.00000  111.10000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    51    58.35000  112.70000
   44    42    43    33.00000  107.80000
   47    42    43    37.50000  110.70000
   47    42    44    37.50000  110.70000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    54    37.50000  110.70000
   49    47    48    33.00000  107.80000
   51    47    48    37.50000  110.70000
   51    47    49    37.50000  110.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    55    50   0.56750  1.0 1.0
   29    33    55    50  -0.07550 -1.0 2.0
   29    33    55    50   0.20000  1.0 3.0
   29    33    55    56   0.44750  1.0 1.0
   29    33    55    56  -0.17800 -1.0 2.0
   29    33    55    56   0.20200  1.0 3.0
   29    33    55    58   0.56750  1.0 1.0
   29    33    55    58  -0.07550 -1.0 2.0
   29    33    55    58   0.20000  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38    40    45   0.65300  1.0 1.0
   33    38    40    45  -0.03850 -1.0 2.0
   33    38    40    45   0.33900  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    47   0.56750  1.0 1.0
   33    38    42    47  -0.07550 -1.0 2.0
   33    38    42    47   0.20000  1.0 3.0
   33    55    56    57   0.15000  1.0 3.0
   33    55    56    59   0.56750  1.0 1.0
   33    55    56    59  -0.07550 -1.0 2.0
   33    55    56    59   0.20000  1.0 3.0
   33    55    56    61   0.56750  1.0 1.0
   33    55    56    61  -0.07550 -1.0 2.0
   33    55    56    61   0.20000  1.0 3.0
   33    55    58    65   0.06250  1.0 1.0
   33    55    58    65  -0.01100 -1.0 2.0
   33    55    58    65   0.28050  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    55    50   0.15000  1.0 3.0
   34    33    55    56   0.15000  1.0 3.0
   34    33    55    58   0.23400  1.0 3.0
   38    33    55    50   0.34400  1.0 1.0
   38    33    55    50   0.09450 -1.0 2.0
   38    33    55    50   0.11100  1.0 3.0
   38    33    55    56   0.56750  1.0 1.0
   38    33    55    56  -0.07550 -1.0 2.0
   38    33    55    56   0.20000  1.0 3.0
   38    33    55    58   0.62750  1.0 1.0
   38    33    55    58  -0.30950 -1.0 2.0
   38    33    55    58   0.27300  1.0 3.0
   38    40    45    46   0.04550  1.0 1.0
   38    40    45    46   0.83000 -1.0 2.0
   38    40    45    46  -0.04000  1.0 3.0
   38    40   -45    50  -0.33500  1.0 1.0
   38    40   -45    50   1.06600 -1.0 2.0
   38    40   -45    50  -0.14000  1.0 3.0
   38    42    47    48   0.15000  1.0 3.0
   38    42    47    49   0.15000  1.0 3.0
   38    42    47    51   0.56750  1.0 1.0
   38    42    47    51  -0.07550 -1.0 2.0
   38    42    47    51   0.20000  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    45   0.00000  1.0 1.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    47   0.15000  1.0 3.0
   40    38    42    43  -0.11250  1.0 3.0
   40    38    42    44  -0.11250  1.0 3.0
   40    38    42    47  -0.95700  1.0 1.0
   40    38    42    47  -0.18200 -1.0 2.0
   40    38    42    47   0.29450  1.0 3.0
   40    45    50    55   7.00000 -1.0 2.0
   40    45    50    70   7.00000 -1.0 2.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    50   1.00000 -1.0 2.0
   45    50   -55    33   0.09850  1.0 1.0
   45    50   -55    33   0.15250 -1.0 2.0
   45    50   -55    33  -0.50650  1.0 3.0
   45    50    55    56   0.09850  1.0 1.0
   45    50    55    56   0.15250 -1.0 2.0
   45    50    55    56  -0.50650  1.0 3.0
   45    50    55    58   0.39000  1.0 1.0
   45    50    55    58  -0.05800 -1.0 2.0
   45    50    55    58  -0.55150  1.0 3.0
   45    50    70    59  -2.26850  1.0 1.0
   45    50    70    59   3.39050 -1.0 2.0
   46    45    50    55   7.00000 -1.0 2.0
   46    45    50    70   7.00000 -1.0 2.0
   50    55    56    57   0.15000  1.0 3.0
   50    55   -56    59   0.34400  1.0 1.0
   50    55   -56    59   0.09450 -1.0 2.0
   50    55   -56    59   0.11100  1.0 3.0
   50    55    56    61   0.34400  1.0 1.0
   50    55    56    61   0.09450 -1.0 2.0
   50    55    56    61   0.11100  1.0 3.0
   50    55    58    65  -0.77900  1.0 1.0
   50    55    58    65  -0.36900 -1.0 2.0
   50    55    58    65   0.40400  1.0 3.0
   55    33    38    39   0.15000  1.0 3.0
   55    33   -38    40  -0.95700  1.0 1.0
   55    33   -38    40  -0.18200 -1.0 2.0
   55    33   -38    40   0.29450  1.0 3.0
   55    33    38    42   0.56750  1.0 1.0
   55    33    38    42  -0.07550 -1.0 2.0
   55    33    38    42   0.20000  1.0 3.0
   55    50   -70    59   2.00000 -1.0 2.0
   55    56    59    60   0.15000  1.0 3.0
   55    56    59    69  -0.03700  1.0 1.0
   55    56    59    69   0.37200 -1.0 2.0
   55    56    59    69  -0.47300  1.0 3.0
   55    56   -59    70   0.62750  1.0 1.0
   55    56   -59    70  -0.30950 -1.0 2.0
   55    56   -59    70   0.27300  1.0 3.0
   55    56    61    62   0.15000  1.0 3.0
   55    56    61    63   0.15000  1.0 3.0
   55    56    61    64   0.15000  1.0 3.0
   55    58    65    66   0.37050  1.0 3.0
   55    58    65    67   0.37050  1.0 3.0
   55    58    65    68   0.37050  1.0 3.0
   56    55    58    65   0.06250  1.0 1.0
   56    55    58    65  -0.01100 -1.0 2.0
   56    55    58    65   0.28050  1.0 3.0
   56    59    69    71   0.04150 -1.0 2.0
   56    59    69    78   0.04150 -1.0 2.0
   56    59   -70    50  -0.46850  1.0 1.0
   56    59   -70    50   0.09300 -1.0 2.0
   56    59   -70    50  -0.12850  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    69   0.43200  1.0 3.0
   57    56    59    70   0.23400  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    64   0.15000  1.0 3.0
   59    56    61    62   0.15000  1.0 3.0
   59    56    61    63   0.15000  1.0 3.0
   59    56    61    64   0.15000  1.0 3.0
   59    69    71    72   3.62500 -1.0 2.0
   59    69    71    73   3.62500 -1.0 2.0
   59    69    78    76   3.62500 -1.0 2.0
   59    69    78    79   3.62500 -1.0 2.0
   60    59    69    71   0.00000  1.0 1.0
   60    59    69    78   0.00000  1.0 1.0
   60    59    70    50   0.08050  1.0 3.0
   69    59    70    50  -0.48150  1.0 1.0
   69    59    70    50   0.09250 -1.0 2.0
   69    59    70    50  -0.12850  1.0 3.0
   69    71    73    74   3.62500 -1.0 2.0
   69    71    73    75   3.62500 -1.0 2.0
   71    69    78    76   3.62500 -1.0 2.0
   71    69    78    79   3.62500 -1.0 2.0
   71    73   -75    76   3.62500 -1.0 2.0
   71    73    75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    76    78   3.62500 -1.0 2.0
   73    75    76    80   3.62500 -1.0 2.0
   73    75    77    81   1.63200 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    76   -78    69   3.62500 -1.0 2.0
   75    76    78    79   3.62500 -1.0 2.0
   75    76    80    85   1.63200 -1.0 2.0
   75    77    81    82   0.08050  1.0 3.0
   75    77    81    83   0.08050  1.0 3.0
   75    77    81    84   0.08050  1.0 3.0
   76    75    77    81   1.63200 -1.0 2.0
   76    80    85    86   0.08050  1.0 3.0
   76    80    85    87   0.08050  1.0 3.0
   76    80    85    88   0.08050  1.0 3.0
   78    69    71    72   3.62500 -1.0 2.0
   78    69   -71    73   3.62500 -1.0 2.0
   78    76    80    85   1.63200 -1.0 2.0
   80    76    78    69   3.62500 -1.0 2.0
   80    76    78    79   3.62500 -1.0 2.0
   77    75    76    78   3.62500 -1.0 2.0
   77    75    76    80   3.62500 -1.0 2.0
   70    50    55    33   0.09700  1.0 1.0
   70    50    55    33   0.15600 -1.0 2.0
   70    50    55    33  -0.50800  1.0 3.0
   70    50   -55    56   0.09700  1.0 1.0
   70    50   -55    56   0.15600 -1.0 2.0
   70    50   -55    56  -0.50800  1.0 3.0
   70    50    55    58   0.09700  1.0 1.0
   70    50    55    58   0.15600 -1.0 2.0
   70    50    55    58  -0.50800  1.0 3.0
   70    59    69    71   0.64500  1.0 1.0
   70    59    69    71   0.14800 -1.0 2.0
   70    59    69    71   0.20650  1.0 3.0
   70    59    69    78   0.64500  1.0 1.0
   70    59    69    78   0.14800 -1.0 2.0
   70    59    69    78   0.20650  1.0 3.0
   61    56    59    60   0.15000  1.0 3.0
   61    56    59    69  -0.03700  1.0 1.0
   61    56    59    69   0.37200 -1.0 2.0
   61    56    59    69  -0.47300  1.0 3.0
   61    56    59    70   0.62750  1.0 1.0
   61    56    59    70  -0.30950 -1.0 2.0
   61    56    59    70   0.27300  1.0 3.0
   58    55    56    57   0.23400  1.0 3.0
   58    55    56    59   0.62750  1.0 1.0
   58    55    56    59  -0.30950 -1.0 2.0
   58    55    56    59   0.27300  1.0 3.0
   58    55    56    61   0.62750  1.0 1.0
   58    55    56    61  -0.30950 -1.0 2.0
   58    55    56    61   0.27300  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    45   0.65300  1.0 1.0
   42    38    40    45  -0.03850 -1.0 2.0
   42    38    40    45   0.33900  1.0 3.0
   42    47    51    52   0.15000  1.0 3.0
   42    47    51    53   0.15000  1.0 3.0
   42    47    51    54   0.15000  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    51   0.15000  1.0 3.0
   44    42    47    48   0.15000  1.0 3.0
   44    42    47    49   0.15000  1.0 3.0
   44    42    47    51   0.15000  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    53   0.15000  1.0 3.0
   48    47    51    54   0.15000  1.0 3.0
   49    47    51    52   0.15000  1.0 3.0
   49    47    51    53   0.15000  1.0 3.0
   49    47    51    54   0.15000  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    40    41  10.50000 -1.0 2.0
   40    46    45    50   1.10000 -1.0 2.0
   55    70    50    45   1.10000 -1.0 2.0
   71    78    69    59   4.00000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   76    77    75    73   4.00000 -1.0 2.0
   78    80    76    75   4.00000 -1.0 2.0
   76    79    78    69   1.10000 -1.0 2.0
END
