* LIGAND DATABASE FILE (OPLS2005)
*
001      90    90    167    254     495
    1     0 S   NP   _N1_     1    29.67613    92.30892   -17.90805
    2     1 S   H    _HN1     2     1.02826   125.78053    97.35243
    3     1 S   H    _H1_     3     1.02743    19.01788    81.12633
    4     1 S   H    _H2_     4     1.03479   102.50098   -25.92936
    5     1 S   CT   _CA1     5     1.49915    97.20796  -140.43679
    6     5 S   HC   _HA1     6     1.09564   105.18262    46.60326
    7     5 S   CO3  _C1_     7     1.53769   112.60247   -73.65113
    8     7 S   O2Z  _O11     8     1.26382   115.09614   -39.96838
    9     7 S   O2Z  _O12     9     1.26267   114.97607   139.13951
   10     5 S   CT   _CB1    10     1.53025   107.43896   164.70094
   11    10 S   HC   HB11    11     1.09831   109.60248   -48.30324
   12    10 S   HC   HB12    12     1.09826   110.27007    68.00786
   13    10 S   CT   _CG1    13     1.53105   112.71350  -169.33640
   14    13 S   HC   HG11    14     1.09561   111.19046   -67.95448
   15    13 S   HC   HG12    15     1.09600   110.73484    51.45889
   16    13 S   C    _CD1    16     1.51401   110.15002   170.92294
   17    16 S   O    _OE1    17     1.22836   121.86636  -100.87458
   18    16 S   N    _N2_    18     1.38224   112.81141    77.29300
   19    18 S   H    _HN2    19     1.01626   119.20934     7.24397
   20    18 S   CT1  _CA2    20     1.45826   122.96945  -175.49181
   21    20 S   HC   _HA2    21     1.09736   108.76536    23.83621
   22    20 S   C    _C2_    22     1.52800   107.74187   -93.74146
   23    22 S   O    _O2_    23     1.22930   122.97830   -26.21386
   24    20 S   CT   _CB2    32     1.53321   111.63417   146.28998
   25    24 S   HC   HB21    33     1.09365   109.20298    59.51658
   26    24 S   HC   HB22    34     1.09497   110.68494   178.26472
   27    22 S   N    _N3_    24     1.38644   112.30889   156.83176
   28    27 S   H    _HN3    25     1.01489   119.71728     0.38052
   29    24 S   S    _SG2    35     1.82660   110.56105   -61.43670
   30    27 S   CT   _CA3    26     1.45434   122.76722   174.64591
   31    30 S   HC   HA31    27     1.09543   108.87590    31.71229
   32    30 S   HC   HA32    28     1.09477   107.15602   148.87432
   33    29 S   CT   _C11    36     1.85377   100.74262   174.31776
   34    33 S   HC   _H3_    37     1.09671   106.36973    51.97559
   35    30 S   CO3  _C3_    29     1.53108   113.83062   -91.10182
   36    35 S   O2Z  _O31    30     1.26363   116.01010   -25.24422
   37    35 S   O2Z  _O32    31     1.26443   114.54057   155.59477
   38    33 S   CT   _C12    38     1.56349   109.24121   168.13997
   39    38 S   HC   _H4_    39     1.09574   108.21868    61.24695
   40    33 S   CT   _C10    70     1.54412   110.77057   -64.96603
   41    40 S   HC   _H18    71     1.09740   109.35475    72.50230
   42    40 S   HC   _H19    72     1.09317   112.34926  -173.22963
   43    38 S   CT   _C16    40     1.56297   113.12971   -59.68600
   44    43 S   HC   _H6_    41     1.09324   112.12894    21.27315
   45    40 S   CO4  _C9_    73     1.52204   116.17647   -48.25982
   46    45 S   O    _O33    74     1.23294   120.76940    97.74800
   47    43 S   CO4  _C15    42     1.51711   102.17648   -93.84716
   48    47 S   O    _O34    43     1.22540   123.88739   169.12938
   49    43 S   CT   _C17    51     1.53530   112.71743   147.57471
   50    49 S   HC   _H22    52     1.09701   111.35021    83.83109
   51    49 S   HC   _H23    53     1.09545   110.56487   -33.48415
   52    45 S   CT   _C8_    75     1.51433   118.21253   -83.18525
   53    52 S   HC   _H16    76     1.09331   109.70476     5.10887
   54    52 S   HC   _H17    77     1.09570   107.78776  -110.97960
   55    47 S   CT   _C14    44     1.50443   112.77158   -10.39343
   56    55 S   HC   _H20    45     1.09345   108.43060   105.08698
   57    55 S   HC   _H21    46     1.09274   110.18285  -132.79196
   58    49 S   CM   _C18    54     1.50441   111.66538  -155.92512
   59    58 S   HC   _H24    55     1.08825   116.07753   -81.66644
   60    52 S   CT   _C7_    78     1.52611   110.73978   127.44866
   61    60 S   HC   _H14    79     1.09697   109.94736   -52.75086
   62    60 S   HC   _H15    80     1.09676   109.56101    63.88260
   63    38 S   CT   _C13    47     1.54354   113.46345  -176.53966
   64    63 S   HC   _H5_    48     1.09033   114.96841   -38.78755
   65    58 S   CM   _C19    56     1.34271   125.98247    99.80588
   66    65 S   HC   _H25    57     1.08832   117.82373   178.21447
   67    60 S   CT   _C6_    81     1.52808   111.41995  -174.51434
   68    67 S   HC   _H12    82     1.09676   109.64158   -57.41550
   69    67 S   HC   _H13    83     1.09694   109.49460    59.90592
   70    63 S   OH   _O37    49     1.42743   110.02027  -158.95577
   71    70 S   HO   _H32    50     0.97261   107.60932    63.96638
   72    65 S   CT   _C20    58     1.50305   126.36742    -3.39148
   73    72 S   HC   _H26    59     1.09626   108.09698  -136.52787
   74    72 S   HC   _H27    60     1.09556   111.07490   -20.95857
   75    67 S   CT   _C5_    84     1.52825   111.25285  -178.79423
   76    75 S   HC   _H10    85     1.09572   109.88647   -57.81146
   77    75 S   HC   _H11    86     1.09614   109.81989    59.94189
   78    72 S   CT   _C21    61     1.53061   111.35360   102.07297
   79    78 S   HC   _H28    62     1.09697   110.01809    62.00954
   80    78 S   HC   _H29    63     1.09771   109.30495   -54.72489
   81    75 S   CT   _C4_    87     1.52000   111.53894  -178.94631
   82    81 S   HC   _H7_    88     1.09466   111.00500   -60.17339
   83    81 S   HC   _H8_    89     1.09469   110.99362    60.35654
   84    81 S   HC   _H9_    90     1.09449   110.24761  -179.92338
   85    78 S   CT   _C22    64     1.52593   112.22118  -174.68492
   86    85 S   HC   _H30    65     1.09738   108.44406   170.50723
   87    85 S   HC   _H31    66     1.09708   109.32518    54.50853
   88    85 S   CO3  _C23    67     1.53069   116.89251   -69.42582
   89    88 S   O2Z  _O36    68     1.26041   116.57376   -20.33113
   90    88 S   O2Z  _O35    69     1.26586   113.99359   160.22722
  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
  17   8   2   1   1  20   9  10   4   3  15   8   8   4  11   5
   9   4   3   9   5   4   6   4   3   7   3   9   5   4   3   2
   8   4   9   5   4   1   1   9   5   4   6   5   4   8   5   4
   3   2   1   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    63    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    55    63    64    70    49    40    41    42    45    46    52  
   38    39    43    63    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    48    55    56    57    63    64    70    71    49    50    51    58    40    41    42    45  
   43    44    47    55    63    64    70    49    40  
   41    42    45    46    52    53    54    60    43    63  
   42    45    46    52  
   45    46    52  
   44    47    48    55    56    57    63    64    70    49    50    51    58    59    65  
   47    48    55    63    49    50    51    58  
   46    52    53    54    60    61    62    67  
   52    53    54    60  
   48    55    56    57    63    64    70    49    50    51    58  
   55    56    57    63    49  
   50    51    58    59    65    66    72    55    63  
   51    58    59    65  
   58    59    65  
   53    54    60    61    62    67    68    69    75  
   54    60    61    62    67  
   60    61    62    67  
   56    57    63    64    70    71  
   57    63    64    70  
   63    64    70  
   59    65    66    72    73    74    78  
   65    66    72  
   61    62    67    68    69    75    76    77    81  
   62    67    68    69    75  
   67    68    69    75  
   64    70    71  
   70    71  
   66    72    73    74    78    79    80    85  
   72    73    74    78  
   68    69    75    76    77    81    82    83    84  
   69    75    76    77    81  
   75    76    77    81  
   71  
    0  
   73    74    78    79    80    85    86    87    88  
   74    78    79    80    85  
   78    79    80    85  
   76    77    81    82    83    84  
   77    81    82    83    84  
   81    82    83    84  
   79    80    85    86    87    88    89    90  
   80    85    86    87    88  
   85    86    87    88  
   82    83    84  
   83    84  
   84  
    0  
   86    87    88    89    90  
   87    88    89    90  
   88    89    90  
   89    90  
   90  
    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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    43   268.000  1.529
   38    63   268.000  1.529
   43    44   340.000  1.090
   43    47   317.000  1.522
   43    49   268.000  1.529
   47    48   570.000  1.229
   47    55   317.000  1.522
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    63   268.000  1.529
   63    64   340.000  1.090
   63    70   320.000  1.410
   70    71   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    58   317.000  1.510
   58    59   340.000  1.080
   58    65   549.000  1.340
   65    66   340.000  1.080
   65    72   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   317.000  1.522
   88    89   656.000  1.250
   88    90   656.000  1.250
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    38    63    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    47    63.00000  111.10000
   38    43    49    58.35000  112.70000
   38    63    55    58.35000  112.70000
   38    63    64    37.50000  110.70000
   38    63    70    50.00000  109.50000
   43    38    39    37.50000  110.70000
   43    47    48    80.00000  120.40000
   43    47    55    70.00000  116.00000
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    58    70.00000  112.02700
   47    43    44    35.00000  109.50000
   47    55    56    35.00000  109.50000
   47    55    57    35.00000  109.50000
   47    55    63    63.00000  111.10000
   55    47    48    80.00000  120.40000
   55    63    64    37.50000  110.70000
   55    63    70    50.00000  109.50000
   57    55    56    33.00000  107.80000
   63    38    39    37.50000  110.70000
   63    38    43    58.35000  112.70000
   63    55    56    37.50000  110.70000
   63    55    57    37.50000  110.70000
   63    70    71    55.00000  108.50000
   70    63    64    35.00000  109.50000
   49    43    44    37.50000  110.70000
   49    43    47    63.00000  111.10000
   49    58    59    35.00000  117.00000
   49    58    65    70.00000  124.00000
   51    49    50    33.00000  107.80000
   58    49    50    35.00000  109.50000
   58    49    51    35.00000  109.50000
   58    65    66    35.00000  120.00000
   58    65    72    70.00000  124.00000
   65    58    59    35.00000  120.00000
   65    72    73    35.00000  109.50000
   65    72    74    35.00000  109.50000
   65    72    78    70.00000  112.02700
   72    65    66    35.00000  117.00000
   72    78    79    37.50000  110.70000
   72    78    80    37.50000  110.70000
   72    78    85    58.35000  112.70000
   74    72    73    33.00000  107.80000
   78    72    73    37.50000  110.70000
   78    72    74    37.50000  110.70000
   78    85    86    37.50000  110.70000
   78    85    87    37.50000  110.70000
   78    85    88    70.00000  109.69300
   80    78    79    33.00000  107.80000
   85    78    79    37.50000  110.70000
   85    78    80    37.50000  110.70000
   85    88    89    70.00000  117.00000
   85    88    90    70.00000  117.00000
   87    85    86    33.00000  107.80000
   88    85    86    35.00000  109.50000
   88    85    87    35.00000  109.50000
   90    88    89    80.00000  126.00000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    45    46    80.00000  120.40000
   40    45    52    70.00000  116.00000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    52    53    35.00000  109.50000
   45    52    54    35.00000  109.50000
   45    52    60    63.00000  111.10000
   52    45    46    80.00000  120.40000
   52    60    61    37.50000  110.70000
   52    60    62    37.50000  110.70000
   52    60    67    58.35000  112.70000
   54    52    53    33.00000  107.80000
   60    52    53    37.50000  110.70000
   60    52    54    37.50000  110.70000
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   60    67    75    58.35000  112.70000
   62    60    61    33.00000  107.80000
   67    60    61    37.50000  110.70000
   67    60    62    37.50000  110.70000
   67    75    76    37.50000  110.70000
   67    75    77    37.50000  110.70000
   67    75    81    58.35000  112.70000
   69    67    68    33.00000  107.80000
   75    67    68    37.50000  110.70000
   75    67    69    37.50000  110.70000
   75    81    82    37.50000  110.70000
   75    81    83    37.50000  110.70000
   75    81    84    37.50000  110.70000
   77    75    76    33.00000  107.80000
   81    75    76    37.50000  110.70000
   81    75    77    37.50000  110.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    38    63   0.44750  1.0 1.0
   29    33    38    63  -0.17800 -1.0 2.0
   29    33    38    63   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    47  -0.95700  1.0 1.0
   33    38    43    47  -0.18200 -1.0 2.0
   33    38    43    47   0.29450  1.0 3.0
   33    38    43    49   0.56750  1.0 1.0
   33    38    43    49  -0.07550 -1.0 2.0
   33    38    43    49   0.20000  1.0 3.0
   33    38    63    55   0.56750  1.0 1.0
   33    38    63    55  -0.07550 -1.0 2.0
   33    38    63    55   0.20000  1.0 3.0
   33    38    63    64   0.15000  1.0 3.0
   33    38    63    70   0.86500  1.0 1.0
   33    38    63    70  -0.17500 -1.0 2.0
   33    38    63    70   0.20800  1.0 3.0
   33    40    45    46   0.30150 -1.0 2.0
   33    40    45    52   0.60050  1.0 1.0
   33    40    45    52   0.05600 -1.0 2.0
   33    40    45    52   0.26150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    38    63   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    45  -0.11250  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45  -0.95700  1.0 1.0
   38    33    40    45  -0.18200 -1.0 2.0
   38    33    40    45   0.29450  1.0 3.0
   38    43    47    48   0.30150 -1.0 2.0
   38    43   -47    55   0.60050  1.0 1.0
   38    43   -47    55   0.05600 -1.0 2.0
   38    43   -47    55   0.26150  1.0 3.0
   38    43    49    50   0.15000  1.0 3.0
   38    43    49    51   0.15000  1.0 3.0
   38    43    49    58   0.34400  1.0 1.0
   38    43    49    58   0.09450 -1.0 2.0
   38    43    49    58   0.11100  1.0 3.0
   38    63    70    71  -0.11600  1.0 1.0
   38    63    70    71  -0.09450 -1.0 2.0
   38    63    70    71   0.21250  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    47  -0.11250  1.0 3.0
   39    38    43    49   0.15000  1.0 3.0
   39    38    63    55   0.15000  1.0 3.0
   39    38    63    64   0.15000  1.0 3.0
   39    38    63    70   0.23400  1.0 3.0
   43    38   -63    55   0.56750  1.0 1.0
   43    38   -63    55  -0.07550 -1.0 2.0
   43    38   -63    55   0.20000  1.0 3.0
   43    38    63    64   0.15000  1.0 3.0
   43    38    63    70   0.86500  1.0 1.0
   43    38    63    70  -0.17500 -1.0 2.0
   43    38    63    70   0.20800  1.0 3.0
   43    47    55    56   0.00000  1.0 1.0
   43    47    55    57   0.00000  1.0 1.0
   43    47   -55    63   0.60050  1.0 1.0
   43    47   -55    63   0.05600 -1.0 2.0
   43    47   -55    63   0.26150  1.0 3.0
   43    49    58    59   0.00000  1.0 1.0
   43    49    58    65   0.09850  1.0 1.0
   43    49    58    65   0.15250 -1.0 2.0
   43    49    58    65  -0.50650  1.0 3.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    55   0.00000  1.0 1.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    51   0.15000  1.0 3.0
   44    43    49    58   0.15000  1.0 3.0
   47    43    49    50  -0.11250  1.0 3.0
   47    43    49    51  -0.11250  1.0 3.0
   47    43    49    58  -0.98800  1.0 1.0
   47    43    49    58   0.48800 -1.0 2.0
   47    43    49    58   0.76800  1.0 3.0
   47    55   -63    38  -0.95700  1.0 1.0
   47    55   -63    38  -0.18200 -1.0 2.0
   47    55   -63    38   0.29450  1.0 3.0
   47    55    63    64  -0.11250  1.0 3.0
   47    55    63    70  -0.09450  1.0 1.0
   47    55    63    70  -1.12950 -1.0 2.0
   47    55    63    70   0.54000  1.0 3.0
   48    47    55    56   0.00000  1.0 1.0
   48    47    55    57   0.00000  1.0 1.0
   48    47    55    63   0.30150 -1.0 2.0
   55    63    70    71  -0.11600  1.0 1.0
   55    63    70    71  -0.09450 -1.0 2.0
   55    63    70    71   0.21250  1.0 3.0
   56    55    63    38   0.15000  1.0 3.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    70   0.23400  1.0 3.0
   57    55    63    38   0.15000  1.0 3.0
   57    55    63    64   0.15000  1.0 3.0
   57    55    63    70   0.23400  1.0 3.0
   63    38    43    44   0.15000  1.0 3.0
   63    38   -43    47  -0.95700  1.0 1.0
   63    38   -43    47  -0.18200 -1.0 2.0
   63    38   -43    47   0.29450  1.0 3.0
   63    38    43    49   0.56750  1.0 1.0
   63    38    43    49  -0.07550 -1.0 2.0
   63    38    43    49   0.20000  1.0 3.0
   64    63    70    71   0.19450  1.0 3.0
   49    43    47    48   0.30150 -1.0 2.0
   49    43    47    55   0.60050  1.0 1.0
   49    43    47    55   0.05600 -1.0 2.0
   49    43    47    55   0.26150  1.0 3.0
   49    58    65    66   7.00000 -1.0 2.0
   49    58    65    72   7.00000 -1.0 2.0
   50    49    58    59   0.33100  1.0 3.0
   50    49    58    65   0.00000  1.0 1.0
   51    49    58    59   0.33100  1.0 3.0
   51    49    58    65   0.00000  1.0 1.0
   58    65    72    73   0.00000  1.0 1.0
   58    65    72    74   0.00000  1.0 1.0
   58    65    72    78   0.09850  1.0 1.0
   58    65    72    78   0.15250 -1.0 2.0
   58    65    72    78  -0.50650  1.0 3.0
   59    58    65    66   7.00000 -1.0 2.0
   59    58    65    72   7.00000 -1.0 2.0
   65    72    78    79   0.15000  1.0 3.0
   65    72    78    80   0.15000  1.0 3.0
   65    72    78    85   0.34400  1.0 1.0
   65    72    78    85   0.09450 -1.0 2.0
   65    72    78    85   0.11100  1.0 3.0
   66    65    72    73   0.33100  1.0 3.0
   66    65    72    74   0.33100  1.0 3.0
   66    65    72    78   0.00000  1.0 1.0
   72    78    85    86   0.15000  1.0 3.0
   72    78    85    87   0.15000  1.0 3.0
   72    78    85    88  -1.63150  1.0 1.0
   72    78    85    88  -0.43550 -1.0 2.0
   72    78    85    88   0.24500  1.0 3.0
   73    72    78    79   0.15000  1.0 3.0
   73    72    78    80   0.15000  1.0 3.0
   73    72    78    85   0.15000  1.0 3.0
   74    72    78    79   0.15000  1.0 3.0
   74    72    78    80   0.15000  1.0 3.0
   74    72    78    85   0.15000  1.0 3.0
   78    85    88    89   0.41150 -1.0 2.0
   78    85    88    90   0.41150 -1.0 2.0
   79    78    85    86   0.15000  1.0 3.0
   79    78    85    87   0.15000  1.0 3.0
   79    78    85    88  -0.11250  1.0 3.0
   80    78    85    86   0.15000  1.0 3.0
   80    78    85    87   0.15000  1.0 3.0
   80    78    85    88  -0.11250  1.0 3.0
   86    85    88    89   0.00000  1.0 1.0
   86    85    88    90   0.00000  1.0 1.0
   87    85    88    89   0.00000  1.0 1.0
   87    85    88    90   0.00000  1.0 1.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    43   0.56750  1.0 1.0
   40    33    38    43  -0.07550 -1.0 2.0
   40    33    38    43   0.20000  1.0 3.0
   40    33    38    63   0.56750  1.0 1.0
   40    33    38    63  -0.07550 -1.0 2.0
   40    33    38    63   0.20000  1.0 3.0
   40    45    52    53   0.00000  1.0 1.0
   40    45    52    54   0.00000  1.0 1.0
   40    45    52    60   0.60050  1.0 1.0
   40    45    52    60   0.05600 -1.0 2.0
   40    45    52    60   0.26150  1.0 3.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    52   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    52   0.00000  1.0 1.0
   45    52    60    61  -0.11250  1.0 3.0
   45    52    60    62  -0.11250  1.0 3.0
   45    52    60    67  -0.95700  1.0 1.0
   45    52    60    67  -0.18200 -1.0 2.0
   45    52    60    67   0.29450  1.0 3.0
   46    45    52    53   0.00000  1.0 1.0
   46    45    52    54   0.00000  1.0 1.0
   46    45    52    60   0.30150 -1.0 2.0
   52    60    67    68   0.15000  1.0 3.0
   52    60    67    69   0.15000  1.0 3.0
   52    60    67    75   0.56750  1.0 1.0
   52    60    67    75  -0.07550 -1.0 2.0
   52    60    67    75   0.20000  1.0 3.0
   53    52    60    61   0.15000  1.0 3.0
   53    52    60    62   0.15000  1.0 3.0
   53    52    60    67   0.15000  1.0 3.0
   54    52    60    61   0.15000  1.0 3.0
   54    52    60    62   0.15000  1.0 3.0
   54    52    60    67   0.15000  1.0 3.0
   60    67    75    76   0.15000  1.0 3.0
   60    67    75    77   0.15000  1.0 3.0
   60    67    75    81   0.56750  1.0 1.0
   60    67    75    81  -0.07550 -1.0 2.0
   60    67    75    81   0.20000  1.0 3.0
   61    60    67    68   0.15000  1.0 3.0
   61    60    67    69   0.15000  1.0 3.0
   61    60    67    75   0.15000  1.0 3.0
   62    60    67    68   0.15000  1.0 3.0
   62    60    67    69   0.15000  1.0 3.0
   62    60    67    75   0.15000  1.0 3.0
   67    75    81    82   0.15000  1.0 3.0
   67    75    81    83   0.15000  1.0 3.0
   67    75    81    84   0.15000  1.0 3.0
   68    67    75    76   0.15000  1.0 3.0
   68    67    75    77   0.15000  1.0 3.0
   68    67    75    81   0.15000  1.0 3.0
   69    67    75    76   0.15000  1.0 3.0
   69    67    75    77   0.15000  1.0 3.0
   69    67    75    81   0.15000  1.0 3.0
   76    75    81    82   0.15000  1.0 3.0
   76    75    81    83   0.15000  1.0 3.0
   76    75    81    84   0.15000  1.0 3.0
   77    75    81    82   0.15000  1.0 3.0
   77    75    81    83   0.15000  1.0 3.0
   77    75    81    84   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
   43    55    47    48  10.50000 -1.0 2.0
   49    59    58    65  15.00000 -1.0 2.0
   72    66    65    58  15.00000 -1.0 2.0
   89    85    88    90  10.50000 -1.0 2.0
   40    52    45    46  10.50000 -1.0 2.0
END
