* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    149    232     438
    1     0 S   NP   _N1_     1    28.12869    96.65474   -21.91671
    2     1 S   H    _HN1     2     1.02959    75.61956     5.81905
    3     1 S   H    _H1_     3     1.02838    39.49258   147.74536
    4     1 S   H    _H2_     4     1.02777    96.21400  -101.55089
    5     1 S   CT   _CA1     5     1.50109   145.98614   111.09812
    6     5 S   HC   _HA1     6     1.09575   105.24658    83.13380
    7     5 S   CO3  _C1_     7     1.53799   112.34957   -37.09382
    8     7 S   O2Z  _O11     8     1.26359   115.01009   -45.06306
    9     7 S   O2Z  _O12     9     1.26239   114.93411   134.14287
   10     5 S   CT   _CB1    10     1.53111   107.43681  -158.96615
   11    10 S   HC   HB11    11     1.09823   109.36822   -50.97855
   12    10 S   HC   HB12    12     1.09817   110.41821    65.58660
   13    10 S   CT   _CG1    13     1.53000   112.62374  -172.07863
   14    13 S   HC   HG11    14     1.09602   110.43206   -63.12784
   15    13 S   HC   HG12    15     1.09652   109.97373    56.04093
   16    13 S   C    _CD1    16     1.51831   112.38272   176.42073
   17    16 S   O    _OE1    17     1.22735   123.31859    -2.96068
   18    16 S   N    _N2_    18     1.38540   111.61220   177.05696
   19    18 S   H    _HN2    19     1.01560   118.92940     5.22667
   20    18 S   CT1  _CA2    20     1.45847   123.07810   178.38893
   21    20 S   HC   _HA2    21     1.09740   109.03126    19.76814
   22    20 S   C    _C2_    22     1.52880   107.21639   -97.05135
   23    22 S   O    _O2_    23     1.22953   123.10108   -24.73419
   24    20 S   CT   _CB2    32     1.53132   111.87013   142.81975
   25    24 S   HC   HB21    33     1.09488   109.94616    52.41476
   26    24 S   HC   HB22    34     1.09165   110.10636   171.44000
   27    22 S   N    _N3_    24     1.38498   112.43424   157.71827
   28    27 S   H    _HN3    25     1.01653   120.27866    -2.09807
   29    24 S   S    _SG2    35     1.82465   110.64847   -69.01303
   30    27 S   CT   _CA3    26     1.45328   122.64204   179.83449
   31    30 S   HC   HA31    27     1.09545   108.14614   -49.26030
   32    30 S   HC   HA32    28     1.09550   107.39420    67.08248
   33    29 S   CT   _C18    36     1.84818   100.43400   175.92782
   34    30 S   CO3  _C3_    29     1.52896   114.17156  -171.69551
   35    34 S   O2Z  _O31    30     1.26340   116.04404    -4.84501
   36    34 S   O2Z  _O32    31     1.26424   114.43093   174.95982
   37    33 S   CM   _C5_    37     1.49527   107.88932   171.20951
   38    37 S   HC   _H29    38     1.08279   124.22623    60.61855
   39    33 S   CM   _C6_    60     1.53502   111.12237   -65.70557
   40    37 S   CMA  _C7_    39     1.33682   112.25802  -120.77907
   41    40 S   OM   _O20    40     1.25692   134.50417  -178.46354
   42    39 S   CT   _C22    61     1.52465   116.66574   -60.64457
   43    42 S   HC   _H45    62     1.09618   111.64481   157.99203
   44    42 S   HC   _H46    63     1.09314   112.25774    38.52114
   45    40 S   CT   _C19    41     1.51806   107.83267     2.18382
   46    42 S   OH   _O25    64     1.42112   109.65943   -82.51361
   47    46 S   HO   _H47    65     0.97217   107.08944   178.17458
   48    45 S   CT   _C14    42     1.54921   115.58512  -117.29257
   49    48 S   HC   _H34    43     1.09837   109.11851   -63.07924
   50    48 S   HC   _H35    44     1.09817   108.88622  -177.54952
   51    33 S   OS   _O24    77     1.43707   109.51086    58.67183
   52    45 S   CT   _C21    78     1.53969   112.18290   115.82965
   53    52 S   HC   _H42    79     1.09492   110.88634  -171.34878
   54    52 S   HC   _H43    80     1.09516   112.08234    67.94297
   55    52 S   HC   _H44    81     1.09665   111.10554   -53.57252
   56    48 S   CT   _C17    45     1.53743   115.21677    60.66482
   57    56 S   HC   _H38    46     1.09497   111.18081   -30.73436
   58    56 S   CT   _C16    47     1.53408   115.61294    99.40529
   59    58 S   HC   _H37    48     1.10026   108.03299    43.95635
   60    58 S   CM   _C8_    49     1.49913    98.61962   153.52695
   61    58 S   CT   _C15    56     1.54578   118.21550   -78.85925
   62    61 S   HC   _H36    57     1.09779   108.03139  -159.28973
   63    60 S   CO4  _C9_    50     1.48026   107.65440   -29.25472
   64    63 S   O    _O21    51     1.21720   127.26872  -166.48389
   65    60 S   CM   _C10    53     1.33597   131.49943   149.81922
   66    65 S   HC   _H30    54     1.08373   121.81338     0.98735
   67    65 S   HC   _H31    55     1.08568   121.45273  -179.40521
   68    61 S   CM   _C4_    58     1.51063   115.73748   -43.75145
   69    68 S   HC   _H28    59     1.09290   110.34544   -94.37267
   70    61 S   OS   _O26    66     1.44597   110.43518    85.53294
   71    56 S   OS   _O23    52     1.45007   107.74675  -145.38128
   72    70 S   CO4  _C13    67     1.36301   116.65382    86.12006
   73    72 S   O    _O22    68     1.22340   126.52711     3.08426
   74    72 S   CM   _C12    69     1.48150   110.11775  -176.46249
   75    74 S   CM   _C11    70     1.34037   116.76822  -143.67807
   76    75 S   HC   _H32    71     1.08537   120.93538  -177.68218
   77    75 S   HC   _H33    72     1.08542   122.26016     2.52801
   78    74 S   CT   _C20    73     1.49289   119.64870    40.33079
   79    78 S   HC   _H39    74     1.09183   111.08645   -72.35158
   80    78 S   HC   _H40    75     1.09482   110.30666    48.15216
   81    78 S   HC   _H41    76     1.09523   111.76098   167.49642
  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   9   5   4   3
  16   2   1   1  10   5  14  11   4   8   4   3  12   2   1  15
   7   6   6   4   2   1   1  12   6  14   8  10  10   4   5   2
   3   1   1   3   1   5   1   9   3   7   6   2   1   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    51    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    45    68    39    42    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    45    48    61    68    69    39    42    43    44    46    51    52  
   35    36  
   36  
    0  
   38    40    41    45    48    68    39    42    51    52  
   40    41    45    39    51  
   42    43    44    46    47    70    51    40    45    58    61    62    68    69  
   41    45    48    49    50    56    51    52    53    54    55  
   45    48    51    52  
   43    44    46    47    51    61    68    69  
   44    46    47    68  
   46    47    68  
   48    49    50    56    57    58    71    51    52    53    54    55  
   47    68  
    0  
   49    50    56    57    58    59    60    63    71    61    51    52    53    54    55  
   50    56    57    58    71    51    52  
   56    57    58    71    51    52  
   52    53    54    55    56    68  
   53    54    55    56  
   54    55  
   55  
    0  
   57    58    59    60    63    64    71    65    61    62    68    70  
   58    59    60    63    71    61  
   59    60    63    64    71    65    66    67    61    62    68    69    70    72  
   60    63    71    65    61    62    68    70  
   63    64    71    65    66    67    61    62    68    70  
   62    68    69    70    72    73    74    63    65    71  
   68    69    70    72  
   64    71    65    66    67  
   71    65  
   66    67    71  
   67  
    0  
   69    70    72  
   70  
   72    73    74    75    78  
    0  
   73    74    75    76    77    78    79    80    81  
   74    75    78  
   75    76    77    78    79    80    81  
   76    77    78    79    80    81  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.486900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.785200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.145000   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   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   317.000  1.510
   33    51   320.000  1.410
   37    38   340.000  1.080
   37    40   465.000  1.376
   40    41   745.000  1.250
   40    45   270.000  1.512
   45    48   268.000  1.529
   45    51   320.000  1.410
   45    52   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    56   268.000  1.529
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    71   320.000  1.410
   58    59   340.000  1.090
   58    60   317.000  1.510
   58    61   268.000  1.529
   60    63   320.000  1.462
   60    65   549.000  1.340
   63    64   570.000  1.229
   63    71   214.000  1.327
   65    66   340.000  1.080
   65    67   340.000  1.080
   61    62   340.000  1.090
   61    68   317.000  1.510
   61    70   320.000  1.410
   68    69   340.000  1.080
   68    39   549.000  1.340
   39    42   317.000  1.510
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    46   320.000  1.410
   46    47   553.000  0.945
   70    72   214.000  1.327
   72    73   570.000  1.229
   72    74   320.000  1.462
   74    75   549.000  1.340
   74    78   317.000  1.510
   75    76   340.000  1.080
   75    77   340.000  1.080
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  112.20000
   29    33    51    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    39    68    70.00000  124.00000
   33    39    42    65.00000  117.92700
   33    51    45    60.00000  109.50000
   37    40    41    65.00000  137.10300
   37    40    45    65.00000  122.18000
   40    37    38    40.00000  120.50800
   40    45    48    70.00000  112.02700
   40    45    51    85.00000  110.90400
   40    45    52    70.00000  112.02700
   45    40    41    85.00000  112.85300
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    56    58.35000  112.70000
   45    52    53    37.50000  110.70000
   45    52    54    37.50000  110.70000
   45    52    55    37.50000  110.70000
   48    56    57    37.50000  110.70000
   48    56    58    58.35000  112.70000
   48    56    71    50.00000  109.50000
   50    48    49    33.00000  107.80000
   56    48    49    37.50000  110.70000
   56    48    50    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    60    70.00000  112.02700
   56    58    61    58.35000  112.70000
   56    71    63    83.00000  116.90000
   58    56    57    37.50000  110.70000
   58    60    63    65.00000  116.34900
   58    60    65    70.00000  124.00000
   58    61    62    37.50000  110.70000
   58    61    68    70.00000  112.02700
   58    61    70    50.00000  109.50000
   60    58    59    35.00000  109.50000
   60    63    64    80.00000  123.72100
   60    63    71    90.00000  111.29400
   60    65    66    35.00000  120.00000
   60    65    67    35.00000  120.00000
   71    56    57    35.00000  109.50000
   71    56    58    50.00000  109.50000
   71    63    64    83.00000  123.40000
   65    60    63    65.00000  118.96000
   67    65    66    35.00000  117.00000
   61    58    59    37.50000  110.70000
   61    58    60    70.00000  112.02700
   61    68    69    35.00000  117.00000
   61    68    39    70.00000  124.00000
   61    70    72    83.00000  116.90000
   68    61    62    35.00000  109.50000
   68    39    42    70.00000  124.00000
   39    33    37    70.00000  110.12100
   39    68    69    35.00000  120.00000
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    46    90.00000  110.39200
   42    46    47    55.00000  108.50000
   44    42    43    33.00000  107.80000
   46    42    43    35.00000  109.50000
   46    42    44    35.00000  109.50000
   70    61    62    35.00000  109.50000
   70    61    68    85.00000  110.90400
   70    72    73    83.00000  123.40000
   70    72    74    90.00000  111.29400
   72    74    75    65.00000  118.96000
   72    74    78    65.00000  116.34900
   74    72    73    80.00000  123.72100
   74    75    76    35.00000  120.00000
   74    75    77    35.00000  120.00000
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    81    35.00000  109.50000
   77    75    76    35.00000  117.00000
   78    74    75    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   51    33    37    85.00000  110.90400
   51    33    39    85.00000  110.90400
   51    45    48    50.00000  109.50000
   52    45    48    58.35000  112.70000
   52    45    51    50.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   24    29    33    51   0.13850  1.0 1.0
   24    29    33    51  -1.34450 -1.0 2.0
   24    29    33    51   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    39    68   0.42700  1.0 1.0
   29    33    39    68  -0.70350 -1.0 2.0
   29    33    39    68  -0.43150  1.0 3.0
   29    33    39    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   29    33    51    45   0.14700  1.0 1.0
   29    33    51    45  -1.16150 -1.0 2.0
   29    33    51    45   0.48700  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37   -40    45   7.00000 -1.0 2.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    44   0.34800  1.0 3.0
   33    39    42    46   0.18000  1.0 1.0
   33    39    42    46   0.16450 -1.0 2.0
   33    39    42    46   0.04450  1.0 3.0
   37    33    39    68  -0.28300  1.0 1.0
   37    33    39    68   0.26700 -1.0 2.0
   37    33    39    68  -0.63300  1.0 3.0
   37    33    39    42   0.09700  1.0 1.0
   37    33    39    42   0.15600 -1.0 2.0
   37    33    39    42  -0.50800  1.0 3.0
   37    33   -51    45  -0.77900  1.0 1.0
   37    33   -51    45  -0.36900 -1.0 2.0
   37    33   -51    45   0.40400  1.0 3.0
   37    40    45    48   0.09850  1.0 1.0
   37    40    45    48   0.15250 -1.0 2.0
   37    40    45    48  -0.50650  1.0 3.0
   37    40   -45    51   0.39000  1.0 1.0
   37    40   -45    51  -0.05800 -1.0 2.0
   37    40   -45    51  -0.55150  1.0 3.0
   37    40    45    52   0.09850  1.0 1.0
   37    40    45    52   0.15250 -1.0 2.0
   37    40    45    52  -0.50650  1.0 3.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    45   7.00000 -1.0 2.0
   40    45    48    49   0.15000  1.0 3.0
   40    45    48    50   0.15000  1.0 3.0
   40    45    48    56   0.34400  1.0 1.0
   40    45    48    56   0.09450 -1.0 2.0
   40    45    48    56   0.11100  1.0 3.0
   40    45   -51    33  -0.77900  1.0 1.0
   40    45   -51    33  -0.36900 -1.0 2.0
   40    45   -51    33   0.40400  1.0 3.0
   40    45    52    53   0.15000  1.0 3.0
   40    45    52    54   0.15000  1.0 3.0
   40    45    52    55   0.15000  1.0 3.0
   41    40    45    48   0.09700  1.0 1.0
   41    40    45    48   0.15600 -1.0 2.0
   41    40    45    48  -0.50800  1.0 3.0
   41    40    45    51   0.09700  1.0 1.0
   41    40    45    51   0.15600 -1.0 2.0
   41    40    45    51  -0.50800  1.0 3.0
   41    40    45    52   0.09700  1.0 1.0
   41    40    45    52   0.15600 -1.0 2.0
   41    40    45    52  -0.50800  1.0 3.0
   45    48    56    57   0.15000  1.0 3.0
   45    48    56    58   0.56750  1.0 1.0
   45    48    56    58  -0.07550 -1.0 2.0
   45    48    56    58   0.20000  1.0 3.0
   45    48    56    71   0.62750  1.0 1.0
   45    48    56    71  -0.30950 -1.0 2.0
   45    48    56    71   0.27300  1.0 3.0
   48    45    51    33   0.06250  1.0 1.0
   48    45    51    33  -0.01100 -1.0 2.0
   48    45    51    33   0.28050  1.0 3.0
   48    45    52    53   0.15000  1.0 3.0
   48    45    52    54   0.15000  1.0 3.0
   48    45    52    55   0.15000  1.0 3.0
   48    56    58    59   0.15000  1.0 3.0
   48    56    58    60   0.34400  1.0 1.0
   48    56    58    60   0.09450 -1.0 2.0
   48    56    58    60   0.11100  1.0 3.0
   48    56    58    61   0.56750  1.0 1.0
   48    56    58    61  -0.07550 -1.0 2.0
   48    56    58    61   0.20000  1.0 3.0
   48    56    71    63  -0.25900  1.0 1.0
   48    56    71    63  -0.47000 -1.0 2.0
   48    56    71    63   0.11750  1.0 3.0
   49    48    56    57   0.15000  1.0 3.0
   49    48    56    58   0.15000  1.0 3.0
   49    48    56    71   0.23400  1.0 3.0
   50    48    56    57   0.15000  1.0 3.0
   50    48    56    58   0.15000  1.0 3.0
   50    48    56    71   0.23400  1.0 3.0
   56    58   -60    63   0.09700  1.0 1.0
   56    58   -60    63   0.15600 -1.0 2.0
   56    58   -60    63  -0.50800  1.0 3.0
   56    58    60    65   0.09850  1.0 1.0
   56    58    60    65   0.15250 -1.0 2.0
   56    58    60    65  -0.50650  1.0 3.0
   56    58    61    62   0.15000  1.0 3.0
   56    58    61    68   0.34400  1.0 1.0
   56    58    61    68   0.09450 -1.0 2.0
   56    58    61    68   0.11100  1.0 3.0
   56    58    61    70   0.62750  1.0 1.0
   56    58    61    70  -0.30950 -1.0 2.0
   56    58    61    70   0.27300  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    60   0.15000  1.0 3.0
   57    56    58    61   0.15000  1.0 3.0
   57    56    71    63   0.08050  1.0 3.0
   58    56   -71    63  -0.25900  1.0 1.0
   58    56   -71    63  -0.47000 -1.0 2.0
   58    56   -71    63   0.11750  1.0 3.0
   58    60    63    64  -0.64400  1.0 1.0
   58    60    63    64   0.26850 -1.0 2.0
   58    60   -63    71  -0.15000  1.0 1.0
   58    60   -63    71   0.89550 -1.0 2.0
   58    60   -63    71  -0.06900  1.0 3.0
   58    60    65    66   7.00000 -1.0 2.0
   58    60    65    67   7.00000 -1.0 2.0
   58    61    68    69   0.00000  1.0 1.0
   58    61    68    39   0.09850  1.0 1.0
   58    61    68    39   0.15250 -1.0 2.0
   58    61    68    39  -0.50650  1.0 3.0
   58    61    70    72  -0.25900  1.0 1.0
   58    61    70    72  -0.47000 -1.0 2.0
   58    61    70    72   0.11750  1.0 3.0
   59    58    60    63   0.15000  1.0 3.0
   59    58    60    65   0.00000  1.0 1.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    68   0.15000  1.0 3.0
   59    58    61    70   0.23400  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    68   0.31000  1.0 1.0
   60    58    61    68   0.14700 -1.0 2.0
   60    58    61    68   0.07550  1.0 3.0
   60    58    61    70   0.61850  1.0 1.0
   60    58    61    70  -0.22750 -1.0 2.0
   60    58    61    70   0.15300  1.0 3.0
   60    63   -71    56   2.00000 -1.0 2.0
   63    60    65    66   7.00000 -1.0 2.0
   63    60    65    67   7.00000 -1.0 2.0
   64    63    71    56   3.00000 -1.0 2.0
   71    56    58    59   0.23400  1.0 3.0
   71    56   -58    60   0.61850  1.0 1.0
   71    56   -58    60  -0.22750 -1.0 2.0
   71    56   -58    60   0.15300  1.0 3.0
   71    56    58    61   0.62750  1.0 1.0
   71    56    58    61  -0.30950 -1.0 2.0
   71    56    58    61   0.27300  1.0 3.0
   65    60    63    64   1.00000 -1.0 2.0
   65    60    63    71  -0.56150  1.0 1.0
   65    60    63    71   2.19150 -1.0 2.0
   61    58    60    63   0.09700  1.0 1.0
   61    58    60    63   0.15600 -1.0 2.0
   61    58    60    63  -0.50800  1.0 3.0
   61    58    60    65   0.09850  1.0 1.0
   61    58    60    65   0.15250 -1.0 2.0
   61    58    60    65  -0.50650  1.0 3.0
   61    68    39    33   7.00000 -1.0 2.0
   61    68    39    42   7.00000 -1.0 2.0
   61    70    72    73   3.00000 -1.0 2.0
   61    70    72    74   2.00000 -1.0 2.0
   62    61    68    69   0.33100  1.0 3.0
   62    61    68    39   0.00000  1.0 1.0
   62    61    70    72   0.08050  1.0 3.0
   68    61    70    72  -0.82050  1.0 1.0
   68    61    70    72   0.00600 -1.0 2.0
   68    61    70    72   0.04400  1.0 3.0
   68    39    42    43   0.00000  1.0 1.0
   68    39    42    44   0.00000  1.0 1.0
   68    39    42    46   0.67800  1.0 1.0
   68    39    42    46   0.47050 -1.0 2.0
   68    39    42    46  -0.62500  1.0 3.0
   69    68    39    33   7.00000 -1.0 2.0
   69    68    39    42   7.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40  -0.28300  1.0 1.0
   39    33    37    40   0.26700 -1.0 2.0
   39    33    37    40  -0.63300  1.0 3.0
   39    33    51    45  -0.77900  1.0 1.0
   39    33    51    45  -0.36900 -1.0 2.0
   39    33    51    45   0.40400  1.0 3.0
   39    42    46    47  -0.07800  1.0 1.0
   39    42    46    47  -0.21500 -1.0 2.0
   39    42    46    47  -0.03150  1.0 3.0
   43    42    46    47   0.19450  1.0 3.0
   44    42    46    47   0.19450  1.0 3.0
   70    61    68    69   0.00000  1.0 1.0
   70    61    68    39   0.39000  1.0 1.0
   70    61    68    39  -0.05800 -1.0 2.0
   70    61    68    39  -0.55150  1.0 3.0
   70    72    74    75  -0.56150  1.0 1.0
   70    72    74    75   2.19150 -1.0 2.0
   70    72    74    78  -0.15000  1.0 1.0
   70    72    74    78   0.89550 -1.0 2.0
   70    72    74    78  -0.06900  1.0 3.0
   72    74    75    76   7.00000 -1.0 2.0
   72    74    75    77   7.00000 -1.0 2.0
   72    74    78    79   0.15000  1.0 3.0
   72    74    78    80   0.15000  1.0 3.0
   72    74    78    81   0.15000  1.0 3.0
   73    72    74    75   1.00000 -1.0 2.0
   73    72    74    78  -0.64400  1.0 1.0
   73    72    74    78   0.26850 -1.0 2.0
   75    74    78    79   0.00000  1.0 1.0
   75    74    78    80   0.00000  1.0 1.0
   75    74    78    81   0.00000  1.0 1.0
   78    74    75    76   7.00000 -1.0 2.0
   78    74    75    77   7.00000 -1.0 2.0
   51    33    37    38   0.00000  1.0 1.0
   51    33   -37    40   0.39000  1.0 1.0
   51    33   -37    40  -0.05800 -1.0 2.0
   51    33   -37    40  -0.55150  1.0 3.0
   51    33    39    68   0.39000  1.0 1.0
   51    33    39    68  -0.05800 -1.0 2.0
   51    33    39    68  -0.55150  1.0 3.0
   51    33    39    42   0.09700  1.0 1.0
   51    33    39    42   0.15600 -1.0 2.0
   51    33    39    42  -0.50800  1.0 3.0
   51    45    48    49   0.23400  1.0 3.0
   51    45    48    50   0.23400  1.0 3.0
   51    45    48    56   0.62750  1.0 1.0
   51    45    48    56  -0.30950 -1.0 2.0
   51    45    48    56   0.27300  1.0 3.0
   51    45    52    53   0.23400  1.0 3.0
   51    45    52    54   0.23400  1.0 3.0
   51    45    52    55   0.23400  1.0 3.0
   52    45    48    49   0.15000  1.0 3.0
   52    45    48    50   0.15000  1.0 3.0
   52    45    48    56   0.56750  1.0 1.0
   52    45    48    56  -0.07550 -1.0 2.0
   52    45    48    56   0.20000  1.0 3.0
   52    45    51    33   0.06250  1.0 1.0
   52    45    51    33  -0.01100 -1.0 2.0
   52    45    51    33   0.28050  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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    40   1.10000 -1.0 2.0
   45    41    40    37   1.10000 -1.0 2.0
   58    63    60    65   1.10000 -1.0 2.0
   60    71    63    64  10.50000 -1.0 2.0
   66    67    65    60   1.10000 -1.0 2.0
   61    69    68    39   1.10000 -1.0 2.0
   33    42    39    68   1.10000 -1.0 2.0
   70    74    72    73  10.50000 -1.0 2.0
   72    78    74    75  15.00000 -1.0 2.0
   76    77    75    74  15.00000 -1.0 2.0
END
