* LIGAND DATABASE FILE (OPLS2005)
*
001      88    90    162    240     465
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02041   105.71932    -1.04978
    3     1 S   H    _H1_     3     1.02135    48.31720   100.21119
    4     1 S   H    _H2_     4     1.02124    64.16926  -104.57931
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08491   110.62044    58.69465
   26    24 S   HC   HB22    34     1.08584   110.00631   179.14591
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C12    36     1.86883    96.54911   161.86133
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C13    37     1.51200   104.59398   -79.98092
   38    37 S   HC   _H13    38     1.08459   120.02448    90.84492
   39    33 S   OS   _O33    67     1.43138   109.08260    45.09219
   40    37 S   CM   _C14    39     1.35243   118.49432   -87.85190
   41    40 S   CM   _C7_    40     1.48068   120.81016    -0.38512
   42    40 S   OH   _O34    87     1.37873   120.38709   178.79163
   43    42 S   HO   _H14    88     0.96294   109.85841     0.02798
   44    41 S   CM   _C8_    41     1.35554   118.95753   -20.44028
   45    44 S   HC   _H12    42     1.08403   121.73101  -178.67219
   46    41 S   CT   _C6_    77     1.49948   119.70189   158.57514
   47    46 S   HC   _H10    78     1.09326   107.12448   -28.98449
   48    46 S   HC   _H11    79     1.09195   108.58345  -146.37959
   49    33 S   CT   _C9_    43     1.54460   117.43642   160.53601
   50    46 S   CT   _C5_    80     1.52258   110.72049    90.77132
   51    50 S   HC   _H8_    81     1.09695   110.39044    60.02526
   52    50 S   HC   _H9_    82     1.09535   108.60864   -57.29419
   53    49 S   CT   _C10    44     1.52739   103.29834   -75.78641
   54    53 S   HC   _H3_    45     1.09809   110.18129  -145.23664
   55    49 S   OS   _O37    72     1.45850   107.72668   175.25014
   56    50 S   CT   _C4_    83     1.52268   112.72121  -177.64740
   57    56 S   HC   _H5_    84     1.09503   110.95480    56.98041
   58    56 S   HC   _H6_    85     1.09381   111.40656   -63.93100
   59    56 S   HC   _H7_    86     1.09466   110.05342   176.43207
   60    53 S   CT   _C11    46     1.56182   101.32500   -29.38186
   61    60 S   HC   _H4_    47     1.11666   110.44370   123.60685
   62    53 S   CT   _C23    68     1.52514   117.12046    94.14679
   63    62 S   HC   _H24    69     1.08973   109.92860   -56.96331
   64    62 S   HC   _H25    70     1.08977   109.91402  -176.87325
   65    62 S   HC   _H26    71     1.08873   109.95570    63.05375
   66    55 S   CT   _C24    73     1.40783   110.08919  -177.34996
   67    66 S   HC   _H27    74     1.09308   109.45540  -179.96044
   68    66 S   HC   _H28    75     1.09291   109.53258    59.26504
   69    66 S   HC   _H29    76     1.09236   109.02288   -60.40060
   70    60 S   CA   _C15    48     1.51289   113.14302  -116.64242
   71    70 S   CA   _C16    49     1.39409   120.01197   -91.79244
   72    71 S   HA   _H15    50     1.08632   120.52289     0.02798
   73    71 S   CA   _C17    51     1.39481   119.98995   179.89721
   74    73 S   HA   _H16    52     1.08633   119.63201  -179.97202
   75    73 S   CA   _C18    53     1.39547   120.00724     0.00000
   76    75 S   CA   _C19    54     1.39433   119.97254     0.02798
   77    75 S   OS   _O36    62     1.36250   119.41072   179.98022
   78    70 S   CA   _C20    55     1.39495   119.96147    88.14196
   79    78 S   HA   _H17    56     1.08723   120.16140     0.04423
   80    76 S   OS   _O35    57     1.36251   120.51425   179.88809
   81    77 S   CT   _C22    63     1.42605   117.02461     0.00000
   82    81 S   HC   _H21    64     1.09313   109.51248   180.00000
   83    81 S   HC   _H22    65     1.09284   109.54629    59.26422
   84    81 S   HC   _H23    66     1.09213   109.04353   -60.45336
   85    80 S   CT   _C21    58     1.42631   116.99932   179.97202
   86    85 S   HC   _H18    59     1.09273   109.48063  -179.95577
   87    85 S   HC   _H19    60     1.09246   109.53232    59.33022
   88    85 S   HC   _H20    61     1.09188   109.03573   -60.40332
  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  12  10  14   3   1  12   4  10   5   4
  14   6   5   4  12   8   6   3   2   1   1  12   4   4   2   1
   1   3   2   1   1   9   8   4   7   3  10   9   6   3   1   4
   3   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    44    49    53    60    39    55  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    44    45    49    53    54    60    61    70    39    62    55    66    42  
   35    36  
   36  
    0  
   38    40    41    44    49    53    60    39    55    46    42    43  
   40    41    49    39    42  
   62    55    40    44    49    53    54    60    61    70    71    78  
   41    44    45    49    46    47    48    50    42    43  
   44    45    49    53    55    46    47    48    50    51    52    56    42    43  
   43    44    46  
    0  
   45    49    53    54    60    62    55    66    46    47    48    50  
   49    53    55    46  
   47    48    50    51    52    56    57    58    59    49  
   48    50    51    52    56  
   50    51    52    56  
   53    54    60    61    70    62    63    64    65    55    66    67    68    69  
   51    52    56    57    58    59  
   52    56    57    58    59  
   56    57    58    59  
   54    60    61    70    71    78    62    63    64    65    55    66  
   60    61    70    62    63    64    65    55  
   66    67    68    69    60    62  
   57    58    59  
   58    59  
   59  
    0  
   61    70    71    72    73    76    78    79    62    63    64    65  
   70    71    78    62  
   63    64    65    70  
   64    65  
   65  
    0  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    75    76    78    79    80  
   72    73    74    75    76    78    79    77  
   73    74    75    78  
   74    75    76    78    80    77    81  
   75    76    77  
   76    78    79    80    85    77    81    82    83    84  
   78    79    80    85    86    87    88    77    81  
   81    82    83    84    78    80  
   79    80    85  
   80  
   85    86    87    88  
   82    83    84  
   83    84  
   84  
    0  
   86    87    88  
   87    88  
   88  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   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  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   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   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   77   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    49   268.000  1.529
   33    39   320.000  1.410
   37    38   340.000  1.080
   37    40   549.000  1.340
   40    41   380.000  1.444
   40    42   510.000  1.338
   41    44   549.000  1.340
   41    46   317.000  1.510
   44    45   340.000  1.080
   44    49   317.000  1.510
   49    53   268.000  1.529
   49    55   320.000  1.410
   53    54   340.000  1.090
   53    60   268.000  1.529
   53    62   268.000  1.529
   60    61   340.000  1.090
   60    70   317.000  1.510
   60    39   320.000  1.410
   70    71   469.000  1.400
   70    78   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   469.000  1.400
   75    77   450.000  1.364
   76    78   469.000  1.400
   76    80   450.000  1.364
   78    79   367.000  1.080
   80    85   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   77    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   55    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   42    43   553.000  0.945
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    49    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    49    44    70.00000  112.02700
   33    49    53    58.35000  112.70000
   33    49    55    50.00000  109.50000
   33    39    60    60.00000  109.50000
   37    40    41    70.00000  123.01800
   37    40    42    80.00000  121.38400
   40    37    38    35.00000  120.00000
   40    41    44    70.00000  123.01800
   40    41    46    70.00000  124.00000
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  120.00000
   41    44    49    70.00000  124.00000
   41    46    47    35.00000  109.50000
   41    46    48    35.00000  109.50000
   41    46    50    70.00000  112.02700
   44    49    53    70.00000  112.02700
   44    49    55    85.00000  110.90400
   49    33    37    70.00000  112.02700
   49    44    45    35.00000  117.00000
   49    53    54    37.50000  110.70000
   49    53    60    58.35000  112.70000
   49    53    62    58.35000  112.70000
   49    55    66    60.00000  109.50000
   53    60    61    37.50000  110.70000
   53    60    70    70.00000  112.17500
   53    60    39    50.00000  109.50000
   53    62    63    37.50000  110.70000
   53    62    64    37.50000  110.70000
   53    62    65    37.50000  110.70000
   60    53    54    37.50000  110.70000
   60    70    71    70.00000  120.00000
   60    70    78    70.00000  120.00000
   70    60    61    35.00000  109.50000
   70    71    72    35.00000  120.00000
   70    71    73    63.00000  120.00000
   70    78    76    63.00000  120.00000
   70    78    79    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    63.00000  120.00000
   73    75    77    70.00000  120.00000
   75    73    74    35.00000  120.00000
   75    76    78    63.00000  120.00000
   75    76    80    70.00000  120.00000
   75    77    81    75.00000  111.00000
   76    78    79    35.00000  120.00000
   76    80    85    75.00000  111.00000
   78    70    71    63.00000  120.00000
   80    76    78    70.00000  120.00000
   80    85    86    35.00000  109.50000
   80    85    87    35.00000  109.50000
   80    85    88    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   77    75    76    70.00000  120.00000
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   39    33    37    85.00000  110.90400
   39    33    49    50.00000  109.50000
   39    60    61    35.00000  109.50000
   39    60    70    85.00000  111.85700
   62    53    54    37.50000  110.70000
   62    53    60    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   55    49    53    50.00000  109.50000
   55    66    67    35.00000  109.50000
   55    66    68    35.00000  109.50000
   55    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   46    41    44    70.00000  124.00000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    56    58.35000  112.70000
   48    46    47    33.00000  107.80000
   50    46    47    37.50000  110.70000
   50    46    48    37.50000  110.70000
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    59    37.50000  110.70000
   52    50    51    33.00000  107.80000
   56    50    51    37.50000  110.70000
   56    50    52    37.50000  110.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   42    40    41    80.00000  121.38400
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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   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    49    44   0.56750  1.0 1.0
   29    33    49    44  -0.07550 -1.0 2.0
   29    33    49    44   0.20000  1.0 3.0
   29    33    49    53   0.44750  1.0 1.0
   29    33    49    53  -0.17800 -1.0 2.0
   29    33    49    53   0.20200  1.0 3.0
   29    33    49    55   0.56750  1.0 1.0
   29    33    49    55  -0.07550 -1.0 2.0
   29    33    49    55   0.20000  1.0 3.0
   29    33    39    60   0.14700  1.0 1.0
   29    33    39    60  -1.16150 -1.0 2.0
   29    33    39    60   0.48700  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    42   7.00000 -1.0 2.0
   33    49    53    54   0.15000  1.0 3.0
   33    49   -53    60   0.56750  1.0 1.0
   33    49   -53    60  -0.07550 -1.0 2.0
   33    49   -53    60   0.20000  1.0 3.0
   33    49    53    62   0.56750  1.0 1.0
   33    49    53    62  -0.07550 -1.0 2.0
   33    49    53    62   0.20000  1.0 3.0
   33    49    55    66   0.06250  1.0 1.0
   33    49    55    66  -0.01100 -1.0 2.0
   33    49    55    66   0.28050  1.0 3.0
   37    33    49    44   0.31000  1.0 1.0
   37    33    49    44   0.14700 -1.0 2.0
   37    33    49    44   0.07550  1.0 3.0
   37    33    49    53   0.34400  1.0 1.0
   37    33    49    53   0.09450 -1.0 2.0
   37    33    49    53   0.11100  1.0 3.0
   37    33    49    55   0.61850  1.0 1.0
   37    33    49    55  -0.22750 -1.0 2.0
   37    33    49    55   0.15300  1.0 3.0
   37    33    39    60  -0.77900  1.0 1.0
   37    33    39    60  -0.36900 -1.0 2.0
   37    33    39    60   0.40400  1.0 3.0
   37    40   -41    44   0.28850  1.0 1.0
   37    40   -41    44   2.61350 -1.0 2.0
   37    40   -41    44   0.78400  1.0 3.0
   37    40    41    46  -0.18600  1.0 3.0
   37    40    42    43  -0.66100  1.0 1.0
   37    40    42    43   1.20850 -1.0 2.0
   37    40    42    43  -0.36000  1.0 3.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    42   7.00000 -1.0 2.0
   40    41    44    45   7.00000 -1.0 2.0
   40    41    44    49   7.00000 -1.0 2.0
   40    41    46    47   0.00000  1.0 1.0
   40    41    46    48   0.00000  1.0 1.0
   40    41    46    50   0.98200  1.0 1.0
   40    41    46    50  -0.11900 -1.0 2.0
   40    41    46    50   0.24250  1.0 3.0
   41    40    42    43  -0.66100  1.0 1.0
   41    40    42    43   1.20850 -1.0 2.0
   41    40    42    43  -0.36000  1.0 3.0
   41    44   -49    33   0.09850  1.0 1.0
   41    44   -49    33   0.15250 -1.0 2.0
   41    44   -49    33  -0.50650  1.0 3.0
   41    44    49    53   0.09850  1.0 1.0
   41    44    49    53   0.15250 -1.0 2.0
   41    44    49    53  -0.50650  1.0 3.0
   41    44    49    55   0.39000  1.0 1.0
   41    44    49    55  -0.05800 -1.0 2.0
   41    44    49    55  -0.55150  1.0 3.0
   41    46    50    51   0.15000  1.0 3.0
   41    46    50    52   0.15000  1.0 3.0
   41    46    50    56   0.34400  1.0 1.0
   41    46    50    56   0.09450 -1.0 2.0
   41    46    50    56   0.11100  1.0 3.0
   44    41    46    47   0.00000  1.0 1.0
   44    41    46    48   0.00000  1.0 1.0
   44    41    46    50   0.09850  1.0 1.0
   44    41    46    50   0.15250 -1.0 2.0
   44    41    46    50  -0.50650  1.0 3.0
   44    49    53    54   0.15000  1.0 3.0
   44    49    53    60   0.34400  1.0 1.0
   44    49    53    60   0.09450 -1.0 2.0
   44    49    53    60   0.11100  1.0 3.0
   44    49    53    62   0.34400  1.0 1.0
   44    49    53    62   0.09450 -1.0 2.0
   44    49    53    62   0.11100  1.0 3.0
   44    49    55    66  -0.77900  1.0 1.0
   44    49    55    66  -0.36900 -1.0 2.0
   44    49    55    66   0.40400  1.0 3.0
   45    44    49    33   0.00000  1.0 1.0
   45    44    49    53   0.00000  1.0 1.0
   45    44    49    55   0.00000  1.0 1.0
   49    33    37    38   0.00000  1.0 1.0
   49    33   -37    40   0.09850  1.0 1.0
   49    33   -37    40   0.15250 -1.0 2.0
   49    33   -37    40  -0.50650  1.0 3.0
   49    33   -39    60   0.06250  1.0 1.0
   49    33   -39    60  -0.01100 -1.0 2.0
   49    33   -39    60   0.28050  1.0 3.0
   49    53    60    61   0.15000  1.0 3.0
   49    53    60    70  -0.03700  1.0 1.0
   49    53    60    70   0.37200 -1.0 2.0
   49    53    60    70  -0.47300  1.0 3.0
   49    53   -60    39   0.62750  1.0 1.0
   49    53   -60    39  -0.30950 -1.0 2.0
   49    53   -60    39   0.27300  1.0 3.0
   49    53    62    63   0.15000  1.0 3.0
   49    53    62    64   0.15000  1.0 3.0
   49    53    62    65   0.15000  1.0 3.0
   49    55    66    67   0.37050  1.0 3.0
   49    55    66    68   0.37050  1.0 3.0
   49    55    66    69   0.37050  1.0 3.0
   53    49    55    66   0.06250  1.0 1.0
   53    49    55    66  -0.01100 -1.0 2.0
   53    49    55    66   0.28050  1.0 3.0
   53    60    70    71   0.04150 -1.0 2.0
   53    60    70    78   0.04150 -1.0 2.0
   53    60   -39    33   0.06250  1.0 1.0
   53    60   -39    33  -0.01100 -1.0 2.0
   53    60   -39    33   0.28050  1.0 3.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    70   0.43200  1.0 3.0
   54    53    60    39   0.23400  1.0 3.0
   54    53    62    63   0.15000  1.0 3.0
   54    53    62    64   0.15000  1.0 3.0
   54    53    62    65   0.15000  1.0 3.0
   60    53    62    63   0.15000  1.0 3.0
   60    53    62    64   0.15000  1.0 3.0
   60    53    62    65   0.15000  1.0 3.0
   60    70    71    72   3.62500 -1.0 2.0
   60    70    71    73   3.62500 -1.0 2.0
   60    70    78    76   3.62500 -1.0 2.0
   60    70    78    79   3.62500 -1.0 2.0
   61    60    70    71   0.00000  1.0 1.0
   61    60    70    78   0.00000  1.0 1.0
   61    60    39    33   0.37050  1.0 3.0
   70    60    39    33   0.37500  1.0 3.0
   70    71    73    74   3.62500 -1.0 2.0
   70    71    73    75   3.62500 -1.0 2.0
   71    70    78    76   3.62500 -1.0 2.0
   71    70    78    79   3.62500 -1.0 2.0
   71    73   -75    76   3.62500 -1.0 2.0
   71    73    75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    76    78   3.62500 -1.0 2.0
   73    75    76    80   3.62500 -1.0 2.0
   73    75    77    81   1.63200 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    76   -78    70   3.62500 -1.0 2.0
   75    76    78    79   3.62500 -1.0 2.0
   75    76    80    85   1.63200 -1.0 2.0
   75    77    81    82   0.08050  1.0 3.0
   75    77    81    83   0.08050  1.0 3.0
   75    77    81    84   0.08050  1.0 3.0
   76    75    77    81   1.63200 -1.0 2.0
   76    80    85    86   0.08050  1.0 3.0
   76    80    85    87   0.08050  1.0 3.0
   76    80    85    88   0.08050  1.0 3.0
   78    70    71    72   3.62500 -1.0 2.0
   78    70   -71    73   3.62500 -1.0 2.0
   78    76    80    85   1.63200 -1.0 2.0
   80    76    78    70   3.62500 -1.0 2.0
   80    76    78    79   3.62500 -1.0 2.0
   77    75    76    78   3.62500 -1.0 2.0
   77    75    76    80   3.62500 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40   0.39000  1.0 1.0
   39    33    37    40  -0.05800 -1.0 2.0
   39    33    37    40  -0.55150  1.0 3.0
   39    33    49    44   0.61850  1.0 1.0
   39    33    49    44  -0.22750 -1.0 2.0
   39    33    49    44   0.15300  1.0 3.0
   39    33   -49    53   0.62750  1.0 1.0
   39    33   -49    53  -0.30950 -1.0 2.0
   39    33   -49    53   0.27300  1.0 3.0
   39    33    49    55   1.11900  1.0 1.0
   39    33    49    55  -1.16350 -1.0 2.0
   39    33    49    55  -0.34150  1.0 3.0
   39    60    70    71   0.64500  1.0 1.0
   39    60    70    71   0.14800 -1.0 2.0
   39    60    70    71   0.20650  1.0 3.0
   39    60    70    78   0.64500  1.0 1.0
   39    60    70    78   0.14800 -1.0 2.0
   39    60    70    78   0.20650  1.0 3.0
   62    53    60    61   0.15000  1.0 3.0
   62    53    60    70  -0.03700  1.0 1.0
   62    53    60    70   0.37200 -1.0 2.0
   62    53    60    70  -0.47300  1.0 3.0
   62    53    60    39   0.62750  1.0 1.0
   62    53    60    39  -0.30950 -1.0 2.0
   62    53    60    39   0.27300  1.0 3.0
   55    49    53    54   0.23400  1.0 3.0
   55    49    53    60   0.62750  1.0 1.0
   55    49    53    60  -0.30950 -1.0 2.0
   55    49    53    60   0.27300  1.0 3.0
   55    49    53    62   0.62750  1.0 1.0
   55    49    53    62  -0.30950 -1.0 2.0
   55    49    53    62   0.27300  1.0 3.0
   46    41    44    45   7.00000 -1.0 2.0
   46    41    44    49   7.00000 -1.0 2.0
   46    50    56    57   0.15000  1.0 3.0
   46    50    56    58   0.15000  1.0 3.0
   46    50    56    59   0.15000  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    52   0.15000  1.0 3.0
   47    46    50    56   0.15000  1.0 3.0
   48    46    50    51   0.15000  1.0 3.0
   48    46    50    52   0.15000  1.0 3.0
   48    46    50    56   0.15000  1.0 3.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    58   0.15000  1.0 3.0
   51    50    56    59   0.15000  1.0 3.0
   52    50    56    57   0.15000  1.0 3.0
   52    50    56    58   0.15000  1.0 3.0
   52    50    56    59   0.15000  1.0 3.0
   42    40    41    44   0.50950  1.0 1.0
   42    40    41    44   0.56650 -1.0 2.0
   42    40    41    44   0.34050  1.0 3.0
   42    40    41    46   1.08500 -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    40   1.10000 -1.0 2.0
   41    42    40    37   1.10000 -1.0 2.0
   40    46    41    44   1.10000 -1.0 2.0
   49    45    44    41   1.10000 -1.0 2.0
   71    78    70    60   4.00000 -1.0 2.0
   73    72    71    70   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   76    77    75    73   4.00000 -1.0 2.0
   78    80    76    75   4.00000 -1.0 2.0
   76    79    78    70   1.10000 -1.0 2.0
END
