* LIGAND DATABASE FILE (OPLS2005)
*
001      88    91    160    248     466
    1     0 S   NP   _N1_     1    31.59485    88.36842   -26.49964
    2     1 S   H    _HN1     2     1.02783   129.36907  -101.18206
    3     1 S   H    _H1_     3     1.02941   103.68817    27.21071
    4     1 S   H    _H2_     4     1.02836    23.54915   -74.11366
    5     1 S   CT   _CA1     5     1.50116    91.05500   138.54752
    6     5 S   HC   _HA1     6     1.09564   105.23864    72.43648
    7     5 S   CO3  _C1_     7     1.53775   112.40565   -47.97008
    8     7 S   O2Z  _O11     8     1.26379   114.96803   -43.32202
    9     7 S   O2Z  _O12     9     1.26224   114.94905   135.84815
   10     5 S   CT   _CB1    10     1.53041   107.44711  -169.44594
   11    10 S   HC   HB11    11     1.09827   109.45755   -48.81986
   12    10 S   HC   HB12    12     1.09810   110.38809    67.84830
   13    10 S   CT   _CG1    13     1.52998   112.63729  -169.76113
   14    13 S   HC   HG11    14     1.09576   110.66296   -64.31871
   15    13 S   HC   HG12    15     1.09658   109.82510    54.98694
   16    13 S   C    _CD1    16     1.51763   112.06697   175.50848
   17    16 S   O    _OE1    17     1.22747   123.14951     7.23134
   18    16 S   N    _N2_    18     1.38686   111.75649  -173.10716
   19    18 S   H    _HN2    19     1.01567   119.10794     1.84780
   20    18 S   CT1  _CA2    20     1.46222   123.21866   178.96524
   21    20 S   HC   _HA2    21     1.09758   109.16937     0.63674
   22    20 S   C    _C2_    22     1.53476   108.60817  -114.76719
   23    22 S   O    _O2_    23     1.23040   122.36422  -147.73904
   24    20 S   CT   _CB2    32     1.53496   112.05935   122.26725
   25    24 S   HC   HB21    33     1.09544   110.36627    60.54726
   26    24 S   HC   HB22    34     1.09330   109.31641   178.95283
   27    22 S   N    _N3_    24     1.38354   113.59399    39.64640
   28    27 S   H    _HN3    25     1.01593   119.53696    -3.34129
   29    24 S   S    _SG2    35     1.82862   110.94838   -59.50788
   30    27 S   CT   _CA3    26     1.45278   123.22394   177.10836
   31    30 S   HC   HA31    27     1.09549   107.51326   -64.39525
   32    30 S   HC   HA32    28     1.09555   107.98315    52.04359
   33    29 S   CT   _C16    36     1.87453   101.78952  -157.11591
   34    30 S   CO3  _C3_    29     1.52959   114.06979   174.02634
   35    34 S   O2Z  _O31    30     1.26377   116.06379    -1.06165
   36    34 S   O2Z  _O32    31     1.26425   114.41695   178.99966
   37    33 S   CM   _C15    37     1.51210   105.45586    75.09187
   38    37 S   HC   _H9_    38     1.09138   114.84704   -75.04157
   39    33 S   CT   _C17    78     1.55476   110.65714  -165.27582
   40    39 S   HC   _H3_    79     1.09706   110.11183    49.05515
   41    33 S   OS   _O38    84     1.44245   111.03977   -39.92290
   42    37 S   CMA  _C14    39     1.35414   128.65801   105.51145
   43    42 S   OM   _O39    40     1.26936   126.34033  -178.64275
   44    39 S   OH   _O37    80     1.44384   109.16178   162.78389
   45    44 S   HO   _H11    81     0.97526   107.18249    78.58310
   46    41 S   CT   _C20    85     1.42186   116.90268   -70.00330
   47    46 S   HC   _H12    86     1.09387   107.69838   172.05423
   48    46 S   HC   _H13    87     1.09262   112.07201    53.49191
   49    46 S   HC   _H14    88     1.09227   111.48262   -70.19461
   50    42 S   CT   _C13    41     1.57190   119.62552    -0.32021
   51    50 S   OM   _O40    42     1.32979   108.53410   108.91683
   52    50 S   CO4  _C12    43     1.54674   109.80485  -133.04260
   53    52 S   O    _O34    44     1.22912   125.95606  -107.12739
   54    52 S   CA   _C10    45     1.47751   116.01843    70.28202
   55    54 S   CA   _C9_    46     1.38197   117.71177    38.06771
   56    54 S   CA   _C11    56     1.40793   122.33553  -142.01069
   57    55 S   CA   _C8_    47     1.39455   119.57502  -179.37162
   58    57 S   HA   _H7_    48     1.09000   119.13414   179.55194
   59    56 S   OH   _O33    57     1.37476   119.29564     0.48578
   60    59 S   HO   _H8_    58     0.97387   109.60947    -0.98675
   61    55 S   CO4  _C19    75     1.47722   120.84874     2.46577
   62    61 S   O    _O35    76     1.23121   118.47948   156.31324
   63    57 S   CA   _C7_    49     1.40403   121.38859     0.32865
   64    50 S   CT   _C18    77     1.57190   113.45658   -11.81068
   65    63 S   CA   _C21    50     1.40450   117.96868   178.67175
   66    65 S   HA   _H15    51     1.08795   118.27941    -0.18345
   67    64 S   OH   _O36    82     1.45124   111.52942   158.49882
   68    67 S   HO   _H10    83     0.97335   106.77611    18.62176
   69    65 S   CA   _C22    52     1.39081   121.57417  -180.00000
   70    69 S   CA   _C23    53     1.39873   118.30813    -0.96834
   71    69 S   OS   _O43    70     1.37077   124.87153   179.68721
   72    70 S   CA   _C5_    54     1.41568   122.13110     1.23003
   73    70 S   CO4  _C24    63     1.47169   117.34989   179.90935
   74    73 S   O    _O41    64     1.21818   123.92022   -91.86200
   75    71 S   CT   _C26    71     1.42215   117.33413    -8.62193
   76    75 S   HC   _H19    72     1.09426   107.76023  -175.65035
   77    75 S   HC   _H20    73     1.09477   111.11686    66.68585
   78    75 S   HC   _H21    74     1.09470   111.16137   -57.93999
   79    63 S   CA   _C6_    55     1.42237   120.85949    -1.21354
   80    72 S   CT   _C4_    59     1.51261   119.55212   179.47735
   81    80 S   HC   _H4_    60     1.09468   110.16833  -116.93135
   82    80 S   HC   _H5_    61     1.09294   113.59729     2.23686
   83    80 S   HC   _H6_    62     1.09477   110.19683   120.85419
   84    73 S   OS   _O42    65     1.35590   107.35236    88.45889
   85    84 S   CT   _C25    66     1.42977   114.77985  -179.98022
   86    85 S   HC   _H16    67     1.09327   108.13199   179.76930
   87    85 S   HC   _H17    68     1.09431   110.30893    61.04545
   88    85 S   HC   _H18    69     1.09430   110.28175   -61.52175
  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   2   1   1  12   5  15   7   7   9   4   5   1   3   2   1
   1  11   6  10   4  12  11  10  10   4   4   1   5   2   8   2
   8   4   1   1  12  12   6   8   8   2   3   2   1   1   4   3
   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    64    39    40    44    41    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    50    61    64    39    40    44    45    67    41    46    47    48    49  
   35    36  
   36  
    0  
   38    42    43    50    51    52    64    39    40    44    41    46  
   42    43    50    39    41  
   40    44    45    67    68    41    46    42    50    51    52    55    61    62    64  
   44    45    67    41    50    61    64  
   46    47    48    49    42    44    64  
   43    50    51    52    53    54    61    64    67  
   50    51    52    64  
   45    67    50    61    64  
   64  
   47    48    49  
   48    49  
   49  
    0  
   51    52    53    54    55    56    61    62    64    67    68  
   52    53    54    61    64    67  
   53    54    55    57    79    56    59    61    64    67  
   54    55    56    64  
   55    57    58    63    72    79    56    59    60    61    62    64  
   57    58    63    65    79    56    59    61    62    64    67  
   59    60    80    61    57    63    65    70    72    79  
   58    63    65    66    69    72    79    61    62    64  
   63    65    79    61  
   60    63    72    79  
   79  
   62    64    67    68    63  
   64    67  
   65    66    69    70    72    79    80    71  
   67    68  
   66    69    70    72    79    73    71    75  
   69    70    79    71  
   68  
    0  
   70    72    79    80    73    74    84    71    75    76    77    78  
   72    79    80    81    82    83    73    74    84    85    71    75  
   75    76    77    78    72    73  
   79    80    81    82    83    73    74    84  
   74    84    85    86    87    88    79    80  
   84    85  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    0  
   85    86    87    88  
   86    87    88  
   87    88  
   88  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   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   0.417900   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   52   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   85   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.030000   1.3810   1.2100   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   268.000  1.529
   33    41   320.000  1.410
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    50   270.000  1.512
   50    51   570.000  1.307
   50    52   317.000  1.522
   50    64   268.000  1.529
   52    53   570.000  1.229
   52    54   310.000  1.470
   54    55   469.000  1.400
   54    56   469.000  1.400
   55    57   469.000  1.400
   55    61   310.000  1.470
   57    58   367.000  1.080
   57    63   469.000  1.400
   63    65   469.000  1.400
   63    79   469.000  1.400
   65    66   367.000  1.080
   65    69   469.000  1.400
   69    70   469.000  1.400
   69    71   450.000  1.364
   70    72   469.000  1.400
   70    73   310.000  1.470
   72    79   469.000  1.400
   72    80   317.000  1.510
   79    56   469.000  1.400
   56    59   450.000  1.364
   59    60   553.000  0.945
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   73    74   570.000  1.229
   73    84   214.000  1.327
   84    85   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   71    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   61    62   570.000  1.229
   61    64   317.000  1.522
   64    39   268.000  1.529
   64    67   320.000  1.410
   39    40   340.000  1.090
   39    44   320.000  1.410
   44    45   553.000  0.945
   67    68   553.000  0.945
   41    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  111.63000
   29    33    41    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    39    64    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    44    50.00000  109.50000
   33    41    46    60.00000  109.50000
   37    42    43    65.00000  137.10300
   37    42    50    65.00000  122.18000
   42    37    38    40.00000  120.50800
   42    50    51    85.00000  110.90400
   42    50    52    70.00000  109.06800
   42    50    64    70.00000  112.02700
   50    42    43    85.00000  112.85300
   50    52    53    80.00000  120.40000
   50    52    54    65.00000  115.47100
   50    64    61    63.00000  111.10000
   50    64    39    58.35000  112.70000
   50    64    67    50.00000  109.50000
   52    50    51    90.00000  108.74100
   52    54    55    60.00000  119.52600
   52    54    56    60.00000  119.52600
   54    52    53    75.00000  123.78400
   54    55    57    63.00000  120.00000
   54    55    61    60.00000  119.52600
   54    56    79    63.00000  120.00000
   54    56    59    70.00000  120.00000
   55    57    58    35.00000  120.00000
   55    57    63    63.00000  120.00000
   55    61    62    75.00000  123.78400
   55    61    64    65.00000  115.47100
   57    63    65    63.00000  120.00000
   57    63    79    63.00000  120.00000
   63    57    58    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    69    63.00000  120.00000
   63    79    72    63.00000  120.00000
   63    79    56    63.00000  120.00000
   65    69    70    63.00000  120.00000
   65    69    71    70.00000  120.00000
   69    65    66    35.00000  120.00000
   69    70    72    63.00000  120.00000
   69    70    73    60.00000  119.52600
   69    71    75    75.00000  111.00000
   70    72    79    63.00000  120.00000
   70    72    80    70.00000  120.00000
   70    73    74    75.00000  123.78400
   70    73    84    81.00000  111.40000
   72    79    56    63.00000  120.00000
   72    80    81    35.00000  109.50000
   72    80    82    35.00000  109.50000
   72    80    83    35.00000  109.50000
   79    63    65    63.00000  120.00000
   79    56    59    70.00000  120.00000
   56    54    55    63.00000  120.00000
   56    59    60    35.00000  113.00000
   80    72    79    70.00000  120.00000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   73    70    72    60.00000  119.52600
   73    84    85    83.00000  116.90000
   84    73    74    83.00000  123.40000
   84    85    86    35.00000  109.50000
   84    85    87    35.00000  109.50000
   84    85    88    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   71    69    70    70.00000  120.00000
   71    75    76    35.00000  109.50000
   71    75    77    35.00000  109.50000
   71    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   61    55    57    60.00000  119.52600
   61    64    39    63.00000  111.10000
   61    64    67    90.00000  109.61100
   64    50    51    50.00000  109.50000
   64    50    52    63.00000  111.10000
   64    61    62    80.00000  120.40000
   64    39    40    37.50000  110.70000
   64    39    44    50.00000  109.50000
   64    67    68    55.00000  108.50000
   39    33    37    70.00000  112.02700
   39    44    45    55.00000  108.50000
   44    39    40    35.00000  109.50000
   67    64    39    50.00000  109.50000
   41    33    37    85.00000  110.90400
   41    33    39    50.00000  109.50000
   41    46    47    35.00000  109.50000
   41    46    48    35.00000  109.50000
   41    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   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    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    39    64   0.44750  1.0 1.0
   29    33    39    64  -0.17800 -1.0 2.0
   29    33    39    64   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   29    33    41    46   0.14700  1.0 1.0
   29    33    41    46  -1.16150 -1.0 2.0
   29    33    41    46   0.48700  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    50   7.00000 -1.0 2.0
   33    39    44    45  -0.11600  1.0 1.0
   33    39    44    45  -0.09450 -1.0 2.0
   33    39    44    45   0.21250  1.0 3.0
   33    41    46    47   0.37050  1.0 3.0
   33    41    46    48   0.37050  1.0 3.0
   33    41    46    49   0.37050  1.0 3.0
   37    33    39    64   0.34400  1.0 1.0
   37    33    39    64   0.09450 -1.0 2.0
   37    33    39    64   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    44   1.05650  1.0 1.0
   37    33    39    44   0.15600 -1.0 2.0
   37    33    39    44   0.53150  1.0 3.0
   37    33    41    46  -0.77900  1.0 1.0
   37    33    41    46  -0.36900 -1.0 2.0
   37    33    41    46   0.40400  1.0 3.0
   37    42    50    51   0.39000  1.0 1.0
   37    42    50    51  -0.05800 -1.0 2.0
   37    42    50    51  -0.55150  1.0 3.0
   37    42    50    52  -0.51250  1.0 1.0
   37    42    50    52  -0.88800 -1.0 2.0
   37    42    50    52   0.08850  1.0 3.0
   37    42   -50    64   0.09850  1.0 1.0
   37    42   -50    64   0.15250 -1.0 2.0
   37    42   -50    64  -0.50650  1.0 3.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    50   7.00000 -1.0 2.0
   42    50    52    53   0.30150 -1.0 2.0
   42    50    52    54   0.65300  1.0 1.0
   42    50    52    54  -0.03850 -1.0 2.0
   42    50    52    54   0.33900  1.0 3.0
   42    50    64    61  -0.98800  1.0 1.0
   42    50    64    61   0.48800 -1.0 2.0
   42    50    64    61   0.76800  1.0 3.0
   42    50    64    39   0.34400  1.0 1.0
   42    50    64    39   0.09450 -1.0 2.0
   42    50    64    39   0.11100  1.0 3.0
   42    50    64    67   1.05650  1.0 1.0
   42    50    64    67   0.15600 -1.0 2.0
   42    50    64    67   0.53150  1.0 3.0
   43    42    50    51   0.09700  1.0 1.0
   43    42    50    51   0.15600 -1.0 2.0
   43    42    50    51  -0.50800  1.0 3.0
   43    42    50    52   0.09700  1.0 1.0
   43    42    50    52   0.15600 -1.0 2.0
   43    42    50    52  -0.50800  1.0 3.0
   43    42    50    64   0.09700  1.0 1.0
   43    42    50    64   0.15600 -1.0 2.0
   43    42    50    64  -0.50800  1.0 3.0
   50    52    54    55   2.26350  1.0 1.0
   50    52    54    55   0.76750 -1.0 2.0
   50    52    54    55   0.22500  1.0 3.0
   50    52    54    56   2.26350  1.0 1.0
   50    52    54    56   0.76750 -1.0 2.0
   50    52    54    56   0.22500  1.0 3.0
   50    64   -39    33   0.56750  1.0 1.0
   50    64   -39    33  -0.07550 -1.0 2.0
   50    64   -39    33   0.20000  1.0 3.0
   50    64    39    40   0.15000  1.0 3.0
   50    64    39    44   0.86500  1.0 1.0
   50    64    39    44  -0.17500 -1.0 2.0
   50    64    39    44   0.20800  1.0 3.0
   50    64    67    68  -0.11600  1.0 1.0
   50    64    67    68  -0.09450 -1.0 2.0
   50    64    67    68   0.21250  1.0 3.0
   51    50    52    53   0.30150 -1.0 2.0
   51    50    52    54   0.65300  1.0 1.0
   51    50    52    54  -0.03850 -1.0 2.0
   51    50    52    54   0.33900  1.0 3.0
   51    50    64    61  -0.09450  1.0 1.0
   51    50    64    61  -1.12950 -1.0 2.0
   51    50    64    61   0.54000  1.0 3.0
   51    50    64    39   0.62750  1.0 1.0
   51    50    64    39  -0.30950 -1.0 2.0
   51    50    64    39   0.27300  1.0 3.0
   51    50    64    67   3.69350  1.0 1.0
   51    50    64    67  -1.82950 -1.0 2.0
   52    50    64    61   0.11950  1.0 1.0
   52    50    64    61   0.20300 -1.0 2.0
   52    50    64    61  -0.70800  1.0 3.0
   52    50    64    39  -0.95700  1.0 1.0
   52    50    64    39  -0.18200 -1.0 2.0
   52    50    64    39   0.29450  1.0 3.0
   52    50    64    67  -0.09450  1.0 1.0
   52    50    64    67  -1.12950 -1.0 2.0
   52    50    64    67   0.54000  1.0 3.0
   52    54    55    57   3.62500 -1.0 2.0
   52    54   -55    61   3.62500 -1.0 2.0
   52    54    56    79   3.62500 -1.0 2.0
   52    54    56    59   3.62500 -1.0 2.0
   53    52    54    55   1.05000 -1.0 2.0
   53    52    54    56   1.05000 -1.0 2.0
   54    55    57    58   3.62500 -1.0 2.0
   54    55    57    63   3.62500 -1.0 2.0
   54    55    61    62   1.05000 -1.0 2.0
   54    55    61    64   2.26350  1.0 1.0
   54    55    61    64   0.76750 -1.0 2.0
   54    55    61    64   0.22500  1.0 3.0
   54    56    59    60   0.84100 -1.0 2.0
   55    54    56    79   3.62500 -1.0 2.0
   55    54    56    59   3.62500 -1.0 2.0
   55    57    63    65   3.62500 -1.0 2.0
   55    57   -63    79   3.62500 -1.0 2.0
   55    61   -64    50   0.05850 -1.0 2.0
   55    61   -64    50   0.17250  1.0 3.0
   55    61    64    39   0.05850 -1.0 2.0
   55    61    64    39   0.17250  1.0 3.0
   55    61    64    67   0.65300  1.0 1.0
   55    61    64    67  -0.03850 -1.0 2.0
   55    61    64    67   0.33900  1.0 3.0
   57    55    61    62   1.05000 -1.0 2.0
   57    55    61    64   2.26350  1.0 1.0
   57    55    61    64   0.76750 -1.0 2.0
   57    55    61    64   0.22500  1.0 3.0
   57    63    65    66   3.62500 -1.0 2.0
   57    63    65    69   3.62500 -1.0 2.0
   57    63    79    72   3.62500 -1.0 2.0
   57    63    79    56   3.62500 -1.0 2.0
   58    57    63    65   3.62500 -1.0 2.0
   58    57    63    79   3.62500 -1.0 2.0
   63    65    69    70   3.62500 -1.0 2.0
   63    65    69    71   3.62500 -1.0 2.0
   63    79   -56    54   3.62500 -1.0 2.0
   63    79    56    59   3.62500 -1.0 2.0
   65    63    79    72   3.62500 -1.0 2.0
   65    63    79    56   3.62500 -1.0 2.0
   65    69   -70    72   3.62500 -1.0 2.0
   65    69    70    73   3.62500 -1.0 2.0
   65    69    71    75   1.63200 -1.0 2.0
   66    65    69    70   3.62500 -1.0 2.0
   66    65    69    71   3.62500 -1.0 2.0
   69    70    72    79   3.62500 -1.0 2.0
   69    70    72    80   3.62500 -1.0 2.0
   69    70    73    74   1.05000 -1.0 2.0
   69    70    73    84   0.98750 -1.0 2.0
   69    71    75    76   0.08050  1.0 3.0
   69    71    75    77   0.08050  1.0 3.0
   69    71    75    78   0.08050  1.0 3.0
   70    69    71    75   1.63200 -1.0 2.0
   70    72   -79    63   3.62500 -1.0 2.0
   70    72    79    56   3.62500 -1.0 2.0
   70    72    80    81   0.00000  1.0 1.0
   70    72    80    82   0.00000  1.0 1.0
   70    72    80    83   0.00000  1.0 1.0
   70    73    84    85   0.59950  1.0 1.0
   70    73    84    85   3.24850 -1.0 2.0
   72    70    73    74   1.05000 -1.0 2.0
   72    70    73    84   0.98750 -1.0 2.0
   72    79    56    54   3.62500 -1.0 2.0
   72    79    56    59   3.62500 -1.0 2.0
   79    63    65    66   3.62500 -1.0 2.0
   79    63   -65    69   3.62500 -1.0 2.0
   79    72    80    81   0.00000  1.0 1.0
   79    72    80    82   0.00000  1.0 1.0
   79    72    80    83   0.00000  1.0 1.0
   79    56    59    60   0.84100 -1.0 2.0
   56    54   -55    57   3.62500 -1.0 2.0
   56    54    55    61   3.62500 -1.0 2.0
   80    72    79    63   3.62500 -1.0 2.0
   80    72    79    56   3.62500 -1.0 2.0
   73    70    72    79   3.62500 -1.0 2.0
   73    70    72    80   3.62500 -1.0 2.0
   73    84    85    86   0.08050  1.0 3.0
   73    84    85    87   0.08050  1.0 3.0
   73    84    85    88   0.08050  1.0 3.0
   74    73    84    85   3.00000 -1.0 2.0
   71    69    70    72   3.62500 -1.0 2.0
   71    69    70    73   3.62500 -1.0 2.0
   61    55    57    58   3.62500 -1.0 2.0
   61    55    57    63   3.62500 -1.0 2.0
   61    64    39    33  -0.95700  1.0 1.0
   61    64    39    33  -0.18200 -1.0 2.0
   61    64    39    33   0.29450  1.0 3.0
   61    64    39    40  -0.11250  1.0 3.0
   61    64    39    44  -0.09450  1.0 1.0
   61    64    39    44  -1.12950 -1.0 2.0
   61    64    39    44   0.54000  1.0 3.0
   61    64    67    68   0.91850  1.0 1.0
   61    64    67    68   0.57950  1.0 3.0
   62    61    64    50   0.30150 -1.0 2.0
   62    61    64    39   0.30150 -1.0 2.0
   62    61    64    67   0.30150 -1.0 2.0
   64    50    52    53   0.30150 -1.0 2.0
   64    50   -52    54   0.05850 -1.0 2.0
   64    50   -52    54   0.17250  1.0 3.0
   64    39    44    45  -0.11600  1.0 1.0
   64    39    44    45  -0.09450 -1.0 2.0
   64    39    44    45   0.21250  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33   -37    42   0.09850  1.0 1.0
   39    33   -37    42   0.15250 -1.0 2.0
   39    33   -37    42  -0.50650  1.0 3.0
   39    33    41    46   0.06250  1.0 1.0
   39    33    41    46  -0.01100 -1.0 2.0
   39    33    41    46   0.28050  1.0 3.0
   39    64    67    68  -0.11600  1.0 1.0
   39    64    67    68  -0.09450 -1.0 2.0
   39    64    67    68   0.21250  1.0 3.0
   40    39    44    45   0.19450  1.0 3.0
   67    64    39    33   0.86500  1.0 1.0
   67    64    39    33  -0.17500 -1.0 2.0
   67    64    39    33   0.20800  1.0 3.0
   67    64    39    40   0.23400  1.0 3.0
   67    64    39    44   3.75450  1.0 1.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    42   0.39000  1.0 1.0
   41    33    37    42  -0.05800 -1.0 2.0
   41    33    37    42  -0.55150  1.0 3.0
   41    33    39    64   0.62750  1.0 1.0
   41    33    39    64  -0.30950 -1.0 2.0
   41    33    39    64   0.27300  1.0 3.0
   41    33    39    40   0.23400  1.0 3.0
   41    33    39    44   3.69350  1.0 1.0
   41    33    39    44  -1.82950 -1.0 2.0
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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   50    43    42    37   1.10000 -1.0 2.0
   50    54    52    53  10.50000 -1.0 2.0
   55    56    54    52   4.00000 -1.0 2.0
   57    61    55    54   4.00000 -1.0 2.0
   63    58    57    55   1.10000 -1.0 2.0
   65    79    63    57   4.00000 -1.0 2.0
   69    66    65    63   1.10000 -1.0 2.0
   70    71    69    65   4.00000 -1.0 2.0
   72    73    70    69   4.00000 -1.0 2.0
   79    80    72    70   4.00000 -1.0 2.0
   72    56    79    63   4.00000 -1.0 2.0
   79    59    56    54   4.00000 -1.0 2.0
   70    84    73    74  10.50000 -1.0 2.0
   55    64    61    62  10.50000 -1.0 2.0
END
