* LIGAND DATABASE FILE (OPLS2005)
*
001      80    83    158    259     476
    1     0 S   NP   _N1_     1    28.79692    96.78268   -24.20542
    2     1 S   H    _HN1     2     1.02948    67.85505    10.19675
    3     1 S   H    _H1_     3     1.02827    40.24351   176.61372
    4     1 S   H    _H2_     4     1.02792   112.08273   -91.45951
    5     1 S   CT   _CA1     5     1.50116   133.39418   107.87675
    6     5 S   HC   _HA1     6     1.09574   105.17499    99.34308
    7     5 S   CO3  _C1_     7     1.53767   112.46226   -20.87580
    8     7 S   O2Z  _O11     8     1.26373   115.01036   -42.92379
    9     7 S   O2Z  _O12     9     1.26236   114.93534   136.13937
   10     5 S   CT   _CB1    10     1.53064   107.41070  -142.69874
   11    10 S   HC   HB11    11     1.09839   109.32198   -49.65662
   12    10 S   HC   HB12    12     1.09811   110.47625    66.93157
   13    10 S   CT   _CG1    13     1.53016   112.63985  -170.61050
   14    13 S   HC   HG11    14     1.09573   110.70322   -66.98450
   15    13 S   HC   HG12    15     1.09670   109.72369    52.26510
   16    13 S   C    _CD1    16     1.51809   112.05236   172.72061
   17    16 S   O    _OE1    17     1.22750   123.20126    10.67450
   18    16 S   N    _N2_    18     1.38648   111.79610  -169.31570
   19    18 S   H    _HN2    19     1.01575   118.97588     1.20089
   20    18 S   CT1  _CA2    20     1.46217   123.36600   176.65438
   21    20 S   HC   _HA2    21     1.09739   109.30747     6.50988
   22    20 S   C    _C2_    22     1.53640   108.74927  -108.98286
   23    22 S   O    _O2_    23     1.23075   122.27996  -148.14902
   24    20 S   CT   _CB2    32     1.53276   111.64678   128.51415
   25    24 S   HC   HB21    33     1.09544   110.18706    56.77235
   26    24 S   HC   HB22    34     1.09518   110.01594   175.80231
   27    22 S   N    _N3_    24     1.38325   113.81333    39.31225
   28    27 S   H    _HN3    25     1.01552   119.61984    -3.12268
   29    24 S   S    _SG2    35     1.82795   111.53047   -64.49842
   30    27 S   CT   _CA3    26     1.45284   123.26657   177.20110
   31    30 S   HC   HA31    27     1.09547   107.49301   -65.15109
   32    30 S   HC   HA32    28     1.09555   108.01683    51.30631
   33    29 S   CT   _C20    36     1.86654    99.52673  -178.97894
   34    33 S   HC   _H5_    37     1.09630   105.47369    22.73399
   35    30 S   CO3  _C3_    29     1.52973   114.04893   173.31077
   36    35 S   O2Z  _O31    30     1.26382   116.08020    -0.88315
   37    35 S   O2Z  _O32    31     1.26425   114.41735   179.18579
   38    33 S   CM   _C19    38     1.51033   105.19002   -88.39155
   39    38 S   HC   _H20    39     1.09036   116.87598    47.51909
   40    38 S   CMA  _C18    40     1.34314   125.76194  -133.63690
   41    40 S   OM   _O36    41     1.25967   130.59009  -180.00000
   42    40 S   CM   _C17    42     1.45063   117.89609    -2.07585
   43    42 S   HC   _H19    43     1.09085   117.51383  -174.51231
   44    42 S   CM   _C16    44     1.34542   124.26473     3.91807
   45    44 S   CT   _C15    45     1.50933   119.12549  -177.26205
   46    45 S   HC   _H17    46     1.09537   110.14004  -114.30221
   47    45 S   HC   _H18    47     1.09729   111.42907     2.42785
   48    45 S   CT   _C14    48     1.52270   111.11768   123.32377
   49    48 S   HC   _H15    49     1.09530   107.51454   174.88454
   50    48 S   HC   _H16    50     1.09790   109.40500   -69.43015
   51    48 S   CT   _C9_    51     1.53998   112.74034    53.00341
   52    51 S   HC   _H3_    52     1.09649   107.71875    65.94552
   53    51 S   CT   _C10    53     1.55987   111.04023  -175.86928
   54    53 S   HC   _H4_    54     1.10124   107.39796    62.07160
   55    51 S   CT   _C8_    70     1.56309   110.22836   -53.28151
   56    55 S   F    F1__    71     1.37873   105.89787   -62.03191
   57    53 S   CT   _C11    55     1.52803   114.74679   -55.43799
   58    57 S   HC   _H11    56     1.09484   111.31805    57.90004
   59    57 S   HC   _H12    57     1.09555   110.81836   -60.12428
   60    33 S   CT   _C21    72     1.60091   115.77035   141.82511
   61    57 S   CT   _C12    58     1.51952   110.37413   177.32102
   62    61 S   HC   _H13    59     1.09688   109.14769   -78.39406
   63    61 S   HC   _H14    60     1.09589   108.72656   164.43120
   64    60 S   CT   _C22    73     1.55361   112.83093    13.20509
   65    64 S   HC   _H21    74     1.09280   113.09959   -60.45057
   66    64 S   HC   _H22    75     1.09397   112.97384  -179.71745
   67    64 S   HC   _H23    76     1.09709   110.89952    60.87972
   68    61 S   CO4  _C13    61     1.50747   116.37828    41.97911
   69    68 S   O    _O34    62     1.22863   121.24914   158.92781
   70    68 S   OS   _O35    63     1.35403   117.08802   -27.84092
   71    53 S   CT   _C5_    64     1.54434   112.18222  -179.80218
   72    71 S   CT   _C6_    65     1.53095   109.03342   -58.19711
   73    72 S   HC   _H9_    66     1.09662   111.41691   -64.14401
   74    72 S   HC   _H10    67     1.09662   111.09733   177.94605
   75    71 S   CT   _C4_    77     1.54230   114.95348    65.06555
   76    75 S   HC   _H6_    78     1.09453   111.98027    63.96472
   77    75 S   HC   _H7_    79     1.09333   112.87471   -58.54268
   78    75 S   HC   _H8_    80     1.09695   110.20403  -179.09756
   79    72 S   CO4  _C7_    68     1.51094   109.85961    56.42125
   80    79 S   O    _O33    69     1.22766   119.94634   122.17841
  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
  17   7   2   1   1   9   4   6   3   9   3  15  11   6   5  12
   5   4  17   8  21   9  13   5  11   6   5   7   6   4   3   4
   2   1   1   5   2   9   9   8   4   3   4   2   1   1   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    60    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    55    60    64  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    51    79    55    56    60    64    65    66    67  
   38    39    40    44    55    60    64  
   36    37  
   37  
    0  
   39    40    41    42    43    44    55    60    64  
   40    41    42    60  
   41    42    43    44    45    60  
   42    43    44  
   43    44    45    46    47    48    55    60    64  
   44    45    60  
   45    46    47    48    49    50    51    79    55    56    60    64    65    66    67  
   46    47    48    49    50    51    52    53    55    60    64  
   47    48    49    50    51    60  
   48    49    50    51    60  
   49    50    51    52    53    54    57    71    79    55    56    60  
   50    51    52    53    55  
   51    52    53    55  
   52    53    54    57    58    59    61    70    71    72    79    80    55    56    60    64    75  
   53    54    57    71    79    55    56    60  
   54    57    58    59    61    62    63    68    70    71    72    73    74    79    55    56    60    75    76    77    78  
   57    58    59    61    70    71    72    55    75  
   56    60    64    65    66    67    57    71    72    73    74    79    80  
   60    64    72    79    80  
   58    59    61    62    63    68    69    70    71    72    75  
   59    61    62    63    68    71  
   61    62    63    68    71  
   64    65    66    67    72    79    80  
   62    63    68    69    70    71  
   63    68    69    70  
   68    69    70  
   65    66    67    79  
   66    67  
   67  
    0  
   69    70    71    72    75  
   70    71  
   71    72    73    74    79    75    76    77    78  
   72    73    74    79    80    75    76    77    78  
   73    74    79    80    75    76    77    78  
   74    79    80    75  
   79    80    75  
   76    77    78    79  
   77    78  
   78  
    0  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.470000   1.6780   1.4800   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   317.000  1.510
   33    60   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   340.000  1.080
   42    44   549.000  1.340
   44    45   317.000  1.510
   44    60   317.000  1.510
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    55   268.000  1.529
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    71   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    68   317.000  1.522
   68    69   570.000  1.229
   68    70   214.000  1.327
   70    71   320.000  1.410
   71    72   268.000  1.529
   71    75   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    79   317.000  1.522
   79    80   570.000  1.229
   79    55   317.000  1.522
   55    56   367.000  1.332
   55    60   268.000  1.529
   60    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   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  112.20000
   29    33    60    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    60    44    70.00000  112.02700
   33    60    55    58.35000  112.70000
   33    60    64    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    40.00000  120.50800
   40    42    43    40.00000  120.50800
   40    42    44    70.00000  117.34000
   42    40    41    65.00000  137.10300
   42    44    45    70.00000  124.00000
   42    44    60    70.00000  124.00000
   44    42    43    35.00000  120.00000
   44    45    46    35.00000  109.50000
   44    45    47    35.00000  109.50000
   44    45    48    70.00000  112.02700
   44    60    55    70.00000  112.02700
   44    60    64    70.00000  112.02700
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    58.35000  112.70000
   48    51    55    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    57    58.35000  112.70000
   51    53    71    58.35000  112.70000
   51    55    79    63.00000  111.10000
   51    55    56    50.00000  109.50000
   51    55    60    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    61    58.35000  112.70000
   53    71    70    50.00000  109.50000
   53    71    72    58.35000  112.70000
   53    71    75    58.35000  112.70000
   57    53    54    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    68    63.00000  111.10000
   59    57    58    33.00000  107.80000
   61    57    58    37.50000  110.70000
   61    57    59    37.50000  110.70000
   61    68    69    80.00000  120.40000
   61    68    70    81.00000  111.40000
   63    61    62    33.00000  107.80000
   68    61    62    35.00000  109.50000
   68    61    63    35.00000  109.50000
   68    70    71    83.00000  116.90000
   70    68    69    83.00000  123.40000
   70    71    72    50.00000  109.50000
   70    71    75    50.00000  109.50000
   71    53    54    37.50000  110.70000
   71    53    57    58.35000  112.70000
   71    72    73    37.50000  110.70000
   71    72    74    37.50000  110.70000
   71    72    79    63.00000  111.10000
   71    75    76    37.50000  110.70000
   71    75    77    37.50000  110.70000
   71    75    78    37.50000  110.70000
   72    79    80    80.00000  120.40000
   72    79    55    70.00000  116.00000
   74    72    73    33.00000  107.80000
   79    72    73    35.00000  109.50000
   79    72    74    35.00000  109.50000
   79    55    56    85.00000  109.55300
   79    55    60    63.00000  111.10000
   55    51    52    37.50000  110.70000
   55    51    53    58.35000  112.70000
   55    79    80    80.00000  120.40000
   55    60    64    58.35000  112.70000
   60    33    34    37.50000  110.70000
   60    33    38    70.00000  112.02700
   60    44    45    65.00000  117.92700
   60    55    56    50.00000  109.50000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    67    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   75    71    72    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    60   0.01700  1.0 1.0
   24    29    33    60  -0.23550 -1.0 2.0
   24    29    33    60   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    60    44   0.56750  1.0 1.0
   29    33    60    44  -0.07550 -1.0 2.0
   29    33    60    44   0.20000  1.0 3.0
   29    33    60    55   0.44750  1.0 1.0
   29    33    60    55  -0.17800 -1.0 2.0
   29    33    60    55   0.20200  1.0 3.0
   29    33    60    64   0.44750  1.0 1.0
   29    33    60    64  -0.17800 -1.0 2.0
   29    33    60    64   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    60    64    65   0.15000  1.0 3.0
   33    60    64    66   0.15000  1.0 3.0
   33    60    64    67   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    60    44   0.15000  1.0 3.0
   34    33    60    55   0.15000  1.0 3.0
   34    33    60    64   0.15000  1.0 3.0
   38    33    60    44   0.31000  1.0 1.0
   38    33    60    44   0.14700 -1.0 2.0
   38    33    60    44   0.07550  1.0 3.0
   38    33    60    55   0.34400  1.0 1.0
   38    33    60    55   0.09450 -1.0 2.0
   38    33    60    55   0.11100  1.0 3.0
   38    33    60    64   0.34400  1.0 1.0
   38    33    60    64   0.09450 -1.0 2.0
   38    33    60    64   0.11100  1.0 3.0
   38    40    42    43   7.00000 -1.0 2.0
   38    40   -42    44   7.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    44    45   7.00000 -1.0 2.0
   40    42    44    60   7.00000 -1.0 2.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    44   7.00000 -1.0 2.0
   42    44    45    46   0.00000  1.0 1.0
   42    44    45    47   0.00000  1.0 1.0
   42    44    45    48   0.09850  1.0 1.0
   42    44    45    48   0.15250 -1.0 2.0
   42    44    45    48  -0.50650  1.0 3.0
   42    44   -60    33   0.09850  1.0 1.0
   42    44   -60    33   0.15250 -1.0 2.0
   42    44   -60    33  -0.50650  1.0 3.0
   42    44    60    55   0.09850  1.0 1.0
   42    44    60    55   0.15250 -1.0 2.0
   42    44    60    55  -0.50650  1.0 3.0
   42    44    60    64   0.09850  1.0 1.0
   42    44    60    64   0.15250 -1.0 2.0
   42    44    60    64  -0.50650  1.0 3.0
   43    42    44    45   7.00000 -1.0 2.0
   43    42    44    60   7.00000 -1.0 2.0
   44    45    48    49   0.15000  1.0 3.0
   44    45    48    50   0.15000  1.0 3.0
   44    45    48    51   0.34400  1.0 1.0
   44    45    48    51   0.09450 -1.0 2.0
   44    45    48    51   0.11100  1.0 3.0
   44    60    64    65   0.15000  1.0 3.0
   44    60    64    66   0.15000  1.0 3.0
   44    60    64    67   0.15000  1.0 3.0
   45    44    60    33   0.46850  1.0 1.0
   45    44    60    33   0.08550 -1.0 2.0
   45    44    60    33   0.09800  1.0 3.0
   45    44    60    55   0.46850  1.0 1.0
   45    44    60    55   0.08550 -1.0 2.0
   45    44    60    55   0.09800  1.0 3.0
   45    44    60    64   0.46850  1.0 1.0
   45    44    60    64   0.08550 -1.0 2.0
   45    44    60    64   0.09800  1.0 3.0
   45    48    51    52   0.15000  1.0 3.0
   45    48    51    53   0.56750  1.0 1.0
   45    48    51    53  -0.07550 -1.0 2.0
   45    48    51    53   0.20000  1.0 3.0
   45    48   -51    55   0.56750  1.0 1.0
   45    48   -51    55  -0.07550 -1.0 2.0
   45    48   -51    55   0.20000  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   46    45    48    51   0.15000  1.0 3.0
   47    45    48    49   0.15000  1.0 3.0
   47    45    48    50   0.15000  1.0 3.0
   47    45    48    51   0.15000  1.0 3.0
   48    51    53    54   0.15000  1.0 3.0
   48    51    53    57   0.56750  1.0 1.0
   48    51    53    57  -0.07550 -1.0 2.0
   48    51    53    57   0.20000  1.0 3.0
   48    51    53    71   0.56750  1.0 1.0
   48    51    53    71  -0.07550 -1.0 2.0
   48    51    53    71   0.20000  1.0 3.0
   48    51    55    79  -0.95700  1.0 1.0
   48    51    55    79  -0.18200 -1.0 2.0
   48    51    55    79   0.29450  1.0 3.0
   48    51    55    56   0.39650  1.0 1.0
   48    51    55    56  -0.18350 -1.0 2.0
   48    51    55    56   0.41450  1.0 3.0
   48    51    55    60   0.56750  1.0 1.0
   48    51    55    60  -0.07550 -1.0 2.0
   48    51    55    60   0.20000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    55   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    53   0.15000  1.0 3.0
   50    48    51    55   0.15000  1.0 3.0
   51    53    57    58   0.15000  1.0 3.0
   51    53    57    59   0.15000  1.0 3.0
   51    53    57    61   0.56750  1.0 1.0
   51    53    57    61  -0.07550 -1.0 2.0
   51    53    57    61   0.20000  1.0 3.0
   51    53    71    70   0.62750  1.0 1.0
   51    53    71    70  -0.30950 -1.0 2.0
   51    53    71    70   0.27300  1.0 3.0
   51    53    71    72   0.56750  1.0 1.0
   51    53    71    72  -0.07550 -1.0 2.0
   51    53    71    72   0.20000  1.0 3.0
   51    53    71    75   0.56750  1.0 1.0
   51    53    71    75  -0.07550 -1.0 2.0
   51    53    71    75   0.20000  1.0 3.0
   51    55    60    33   0.56750  1.0 1.0
   51    55    60    33  -0.07550 -1.0 2.0
   51    55    60    33   0.20000  1.0 3.0
   51    55   -60    44   0.34400  1.0 1.0
   51    55   -60    44   0.09450 -1.0 2.0
   51    55   -60    44   0.11100  1.0 3.0
   51    55    60    64   0.56750  1.0 1.0
   51    55    60    64  -0.07550 -1.0 2.0
   51    55    60    64   0.20000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    57   0.15000  1.0 3.0
   52    51    53    71   0.15000  1.0 3.0
   52    51    55    79  -0.11250  1.0 3.0
   52    51    55    56   0.22100  1.0 3.0
   52    51    55    60   0.15000  1.0 3.0
   53    51    55    79  -0.95700  1.0 1.0
   53    51    55    79  -0.18200 -1.0 2.0
   53    51    55    79   0.29450  1.0 3.0
   53    51    55    56   0.39650  1.0 1.0
   53    51    55    56  -0.18350 -1.0 2.0
   53    51    55    56   0.41450  1.0 3.0
   53    51    55    60   0.56750  1.0 1.0
   53    51    55    60  -0.07550 -1.0 2.0
   53    51    55    60   0.20000  1.0 3.0
   53    57    61    62   0.15000  1.0 3.0
   53    57    61    63   0.15000  1.0 3.0
   53    57    61    68  -0.95700  1.0 1.0
   53    57    61    68  -0.18200 -1.0 2.0
   53    57    61    68   0.29450  1.0 3.0
   53    71    72    73   0.15000  1.0 3.0
   53    71    72    74   0.15000  1.0 3.0
   53    71   -72    79  -0.95700  1.0 1.0
   53    71   -72    79  -0.18200 -1.0 2.0
   53    71   -72    79   0.29450  1.0 3.0
   53    71    75    76   0.15000  1.0 3.0
   53    71    75    77   0.15000  1.0 3.0
   53    71    75    78   0.15000  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    59   0.15000  1.0 3.0
   54    53    57    61   0.15000  1.0 3.0
   54    53    71    70   0.23400  1.0 3.0
   54    53    71    72   0.15000  1.0 3.0
   54    53    71    75   0.15000  1.0 3.0
   57    53    71    70   0.62750  1.0 1.0
   57    53    71    70  -0.30950 -1.0 2.0
   57    53    71    70   0.27300  1.0 3.0
   57    53    71    72   0.56750  1.0 1.0
   57    53    71    72  -0.07550 -1.0 2.0
   57    53    71    72   0.20000  1.0 3.0
   57    53    71    75   0.56750  1.0 1.0
   57    53    71    75  -0.07550 -1.0 2.0
   57    53    71    75   0.20000  1.0 3.0
   57    61    68    69   0.30150 -1.0 2.0
   57    61   -68    70   0.36750  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    63   0.15000  1.0 3.0
   58    57    61    68  -0.11250  1.0 3.0
   59    57    61    62   0.15000  1.0 3.0
   59    57    61    63   0.15000  1.0 3.0
   59    57    61    68  -0.11250  1.0 3.0
   61    68    70    71   1.63150  1.0 1.0
   61    68    70    71   2.92000 -1.0 2.0
   62    61    68    69   0.00000  1.0 1.0
   62    61    68    70   0.00000  1.0 1.0
   63    61    68    69   0.00000  1.0 1.0
   63    61    68    70   0.00000  1.0 1.0
   68    70   -71    53  -0.25900  1.0 1.0
   68    70   -71    53  -0.47000 -1.0 2.0
   68    70   -71    53   0.11750  1.0 3.0
   68    70    71    72  -0.25900  1.0 1.0
   68    70    71    72  -0.47000 -1.0 2.0
   68    70    71    72   0.11750  1.0 3.0
   68    70    71    75  -0.25900  1.0 1.0
   68    70    71    75  -0.47000 -1.0 2.0
   68    70    71    75   0.11750  1.0 3.0
   69    68    70    71   3.00000 -1.0 2.0
   70    71    72    73   0.23400  1.0 3.0
   70    71    72    74   0.23400  1.0 3.0
   70    71    72    79  -0.09450  1.0 1.0
   70    71    72    79  -1.12950 -1.0 2.0
   70    71    72    79   0.54000  1.0 3.0
   70    71    75    76   0.23400  1.0 3.0
   70    71    75    77   0.23400  1.0 3.0
   70    71    75    78   0.23400  1.0 3.0
   71    53    57    58   0.15000  1.0 3.0
   71    53    57    59   0.15000  1.0 3.0
   71    53   -57    61   0.56750  1.0 1.0
   71    53   -57    61  -0.07550 -1.0 2.0
   71    53   -57    61   0.20000  1.0 3.0
   71    72    79    80   0.30150 -1.0 2.0
   71    72    79    55   0.60050  1.0 1.0
   71    72    79    55   0.05600 -1.0 2.0
   71    72    79    55   0.26150  1.0 3.0
   72    71    75    76   0.15000  1.0 3.0
   72    71    75    77   0.15000  1.0 3.0
   72    71    75    78   0.15000  1.0 3.0
   72    79   -55    51   0.60050  1.0 1.0
   72    79   -55    51   0.05600 -1.0 2.0
   72    79   -55    51   0.26150  1.0 3.0
   72    79    55    56   0.65300  1.0 1.0
   72    79    55    56  -0.03850 -1.0 2.0
   72    79    55    56   0.33900  1.0 3.0
   72    79    55    60   0.60050  1.0 1.0
   72    79    55    60   0.05600 -1.0 2.0
   72    79    55    60   0.26150  1.0 3.0
   73    72    79    80   0.00000  1.0 1.0
   73    72    79    55   0.00000  1.0 1.0
   74    72    79    80   0.00000  1.0 1.0
   74    72    79    55   0.00000  1.0 1.0
   79    55    60    33  -0.95700  1.0 1.0
   79    55    60    33  -0.18200 -1.0 2.0
   79    55    60    33   0.29450  1.0 3.0
   79    55    60    44  -0.98800  1.0 1.0
   79    55    60    44   0.48800 -1.0 2.0
   79    55    60    44   0.76800  1.0 3.0
   79    55    60    64  -0.95700  1.0 1.0
   79    55    60    64  -0.18200 -1.0 2.0
   79    55    60    64   0.29450  1.0 3.0
   80    79    55    51   0.30150 -1.0 2.0
   80    79    55    56   0.30150 -1.0 2.0
   80    79    55    60   0.30150 -1.0 2.0
   55    51    53    54   0.15000  1.0 3.0
   55    51    53    57   0.56750  1.0 1.0
   55    51    53    57  -0.07550 -1.0 2.0
   55    51    53    57   0.20000  1.0 3.0
   55    51   -53    71   0.56750  1.0 1.0
   55    51   -53    71  -0.07550 -1.0 2.0
   55    51   -53    71   0.20000  1.0 3.0
   55    60    64    65   0.15000  1.0 3.0
   55    60    64    66   0.15000  1.0 3.0
   55    60    64    67   0.15000  1.0 3.0
   56    55    60    33   0.39650  1.0 1.0
   56    55    60    33  -0.18350 -1.0 2.0
   56    55    60    33   0.41450  1.0 3.0
   56    55    60    44   0.54900  1.0 1.0
   56    55    60    44  -0.20450 -1.0 2.0
   56    55    60    44   0.19250  1.0 3.0
   56    55    60    64   0.39650  1.0 1.0
   56    55    60    64  -0.18350 -1.0 2.0
   56    55    60    64   0.41450  1.0 3.0
   60    33    38    39   0.00000  1.0 1.0
   60    33   -38    40   0.09850  1.0 1.0
   60    33   -38    40   0.15250 -1.0 2.0
   60    33   -38    40  -0.50650  1.0 3.0
   60    44    45    46   0.34800  1.0 3.0
   60    44    45    47   0.34800  1.0 3.0
   60    44   -45    48   0.46850  1.0 1.0
   60    44   -45    48   0.08550 -1.0 2.0
   60    44   -45    48   0.09800  1.0 3.0
   75    71    72    73   0.15000  1.0 3.0
   75    71    72    74   0.15000  1.0 3.0
   75    71    72    79  -0.95700  1.0 1.0
   75    71    72    79  -0.18200 -1.0 2.0
   75    71    72    79   0.29450  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
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    43    42    44   1.10000 -1.0 2.0
   45    60    44    42   1.10000 -1.0 2.0
   61    70    68    69  10.50000 -1.0 2.0
   72    55    79    80  10.50000 -1.0 2.0
END
