* LIGAND DATABASE FILE (OPLS2005)
*
001      89    91    157    231     446
    1     0 S   NP   _N1_     1    29.31201    97.45075   -20.31467
    2     1 S   H    _HN1     2     1.02942    78.81851    55.49111
    3     1 S   H    _H1_     3     1.02822    49.38587   179.51908
    4     1 S   H    _H2_     4     1.02760    79.79658   -55.85010
    5     1 S   CT   _CA1     5     1.50248   159.94375   174.75678
    6     5 S   HC   _HA1     6     1.09592   104.96414    63.06804
    7     5 S   CO3  _C1_     7     1.53859   112.74045   -56.24313
    8     7 S   O2Z  _O11     8     1.26359   115.01435   -29.29326
    9     7 S   O2Z  _O12     9     1.26280   114.97188   149.34165
   10     5 S   CT   _CB1    10     1.53118   107.26803  -179.32449
   11    10 S   HC   HB11    11     1.09816   108.99011   -49.62074
   12    10 S   HC   HB12    12     1.09760   110.43897    66.75916
   13    10 S   CT   _CG1    13     1.52924   112.90763  -170.76754
   14    13 S   HC   HG11    14     1.09485   110.49772   -69.69925
   15    13 S   HC   HG12    15     1.09694   109.86001    49.27860
   16    13 S   C    _CD1    16     1.51881   112.71641   169.11326
   17    16 S   O    _OE1    17     1.22695   123.44562    -2.61786
   18    16 S   N    _N2_    18     1.38572   111.40324   178.59905
   19    18 S   H    _HN2    19     1.01619   118.69697    -2.68307
   20    18 S   CT1  _CA2    20     1.46192   123.75205   173.95425
   21    20 S   HC   _HA2    21     1.09750   109.31175   -14.26434
   22    20 S   C    _C2_    22     1.53519   107.62067  -129.16984
   23    22 S   O    _O2_    23     1.23005   122.61158  -145.62218
   24    20 S   CT   _CB2    32     1.53189   111.63912   108.54413
   25    24 S   HC   HB21    33     1.09522   110.10988    48.30303
   26    24 S   HC   HB22    34     1.09495   110.80401   166.66331
   27    22 S   N    _N3_    24     1.38447   113.30187    41.88841
   28    27 S   H    _HN3    25     1.01653   119.52031    -3.70422
   29    24 S   S    _SG2    35     1.82889   111.67784   -75.35213
   30    27 S   CT   _CA3    26     1.45290   123.07720   176.89739
   31    30 S   HC   HA31    27     1.09555   107.58088   -62.25494
   32    30 S   HC   HA32    28     1.09559   107.87386    54.13272
   33    29 S   CT   _C23    36     1.84910   100.08137   132.09330
   34    33 S   HC   _H3_    37     1.09819   106.40338    36.16991
   35    30 S   CO3  _C3_    29     1.52927   114.16522   176.07514
   36    35 S   O2Z  _O31    30     1.26361   116.05921    -0.63458
   37    35 S   O2Z  _O32    31     1.26430   114.41050   179.40653
   38    33 S   CA   _C12    38     1.52267   110.17308   -82.27535
   39    33 S   CT   _C22    73     1.55557   111.26576   153.14591
   40    39 S   HC   _H53    74     1.09797   110.33255    60.93758
   41    38 S   CA   _C7_    39     1.40213   119.78989   122.04407
   42    41 S   HA   _H44    40     1.08798   120.31024    -3.23592
   43    39 S   CZ   _C4_    75     1.47787   112.03306   -59.53522
   44    43 S   NZ   _N24    76     1.16053   179.59026   127.68697
   45    39 S   C    _C19    77     1.53465   109.05782  -179.30677
   46    45 S   O    _O28    78     1.22989   121.62870    76.31616
   47    41 S   CA   _C8_    41     1.39972   121.04577   175.59371
   48    47 S   HA   _H45    42     1.08562   117.67016  -179.97202
   49    45 S   N    _N27    79     1.38728   112.41768  -101.41163
   50    49 S   H    _H55    80     1.01454   121.62735    -3.67397
   51    47 S   CA   _C15    43     1.39575   120.43072    -0.46182
   52    49 S   CRA  _C18    81     1.37362   121.35782   173.10266
   53    51 S   CA   _C16    44     1.39948   118.60534     1.14055
   54    51 S   OS   _O30    52     1.36842   125.36481  -178.48548
   55    52 S   N5B  _N26    82     1.31210   129.96991     1.69293
   56    38 S   CA   _C10    45     1.40218   121.73791   -61.28108
   57    56 S   HA   _H47    46     1.08740   120.50759     4.32862
   58    53 S   OS   _O29    47     1.37292   120.03703   176.56094
   59    54 S   CT   _C21    53     1.42511   117.45108     6.44302
   60    59 S   HC   _H51    54     1.09594   111.50735    51.68976
   61    59 S   HC   _H52    55     1.09743   109.92319   -68.18849
   62    55 S   N5B  _N25    83     1.38304   111.55464  -178.52342
   63    58 S   CT   _C20    48     1.42675   110.37606    98.34132
   64    63 S   HC   _H48    49     1.09401   107.81931  -177.90837
   65    63 S   HC   _H49    50     1.09537   111.27454    63.81551
   66    63 S   HC   _H50    51     1.09479   111.20484   -59.69908
   67    59 S   CA   _C13    56     1.51113   107.84927   172.09840
   68    62 S   CRA  _C17    84     1.31806   112.15335     0.10468
   69    67 S   CA   _C6_    57     1.40469   118.33318    93.73924
   70    69 S   HA   _H43    58     1.08801   120.18057     1.04941
   71    52 S   SA   _S41    85     1.70540   114.87753  -177.05875
   72    68 S   CT   _C26    86     1.48062   125.30039   179.67736
   73    72 S   F    _F37    87     1.35789   112.04779     0.15826
   74    72 S   F    _F38    88     1.35773   112.08403   119.99503
   75    72 S   F    _F39    89     1.35724   112.10582  -119.71117
   76    69 S   CA   _C5_    59     1.39474   121.11206  -178.72651
   77    76 S   HA   _H42    60     1.08726   119.10597  -179.66780
   78    76 S   CA   _C11    61     1.39516   120.29165     0.54176
   79    78 S   CA   _C9_    62     1.40109   118.93707    -0.68984
   80    79 S   HA   _H46    63     1.08905   118.86479  -179.18483
   81    78 S   CT   _C24    69     1.50158   120.65067  -178.88092
   82    81 S   F    _F31    70     1.36232   113.41273   -27.15122
   83    81 S   F    _F32    71     1.36159   112.27241    92.85961
   84    81 S   F    _F33    72     1.36246   113.13082  -147.32534
   85    67 S   CA   _C14    64     1.41042   122.53917   -84.27289
   86    85 S   CT   _C25    65     1.50804   121.98990    -2.04574
   87    86 S   F    _F34    66     1.36348   113.65761   174.51874
   88    86 S   F    _F35    67     1.36229   112.49139   -65.73117
   89    86 S   F    _F36    68     1.36135   113.16833    54.45126
  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
  15   7   2   1   1  13  10   5   8   4   4   1   6   3   7   3
   6   3  10   5   9   8   4   3   1   4   9   4   3   6   3   2
   1   1  12   5   8   4   4   3   2   1   1   9   3   8  10   3
   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    56    39    40    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    47    53    56    57    39    40    43    44    45    46    49  
   38    41    56    39    40    43    45  
   36    37  
   37  
    0  
   41    42    47    48    51    53    56    57    58    39    40    43    45  
   40    43    44    45    46    49    50    52    41    56  
   43    44    45    46    49  
   42    47    48    51    53    56    57    54  
   47    48    51    56  
   44    45    46    49  
   45  
   46    49    50    52    55    71  
   49    50    52  
   48    51    53    56    58    54    59  
   51    53    54  
   50    52    55    62    68    71  
   52    55    71  
   53    56    57    58    63    54    59    60    61    67  
   55    62    68    71    72  
   56    57    58    63    64    65    66    54    59  
   59    60    61    67    69    85    56    58  
   62    68    71    72  
   57    58    63  
   58  
   63    64    65    66  
   60    61    67    69    70    76    79    85    86  
   61    67    69    85  
   67    69    85  
   68    71    72    73    74    75  
   64    65    66  
   65    66  
   66  
    0  
   69    70    76    77    78    79    80    85    86    87    88    89  
   71    72    73    74    75  
   70    76    77    78    79    85    86    81  
   76    77    78    85  
   72    73    74    75  
   73    74    75  
   74    75  
   75  
    0  
   77    78    79    80    85    81    82    83    84  
   78    79    81  
   79    80    85    86    81    82    83    84  
   80    85    86    87    88    89    81    82    83    84  
   85    86    81  
   82    83    84    85  
   83    84  
   84  
    0  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.3000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.3000   0.0660   0.460000   2.0580   1.8250   0.025318638  -1.264311570
   44   3.2800   0.1700  -0.560000   2.2500   2.0000   0.024786691  -1.117108600
   45   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
   50   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   51   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700   0.428700   2.0020   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.2800   0.1700  -0.312600   1.8650   1.6500   0.001000000  -0.511443539
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.181800   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   3.2800   0.1700  -0.312600   1.8650   1.6500   0.001000000  -0.511443539
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.228700   2.0020   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5600   0.3950  -0.062200   2.0080   1.7800   0.025682759  -1.666211680
   72   3.2500   0.0620   0.715000   2.4950   1.7500   0.005000000  -0.741685710
   73   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   74   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   75   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.2500   0.0620   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   83   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   84   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   85   3.5500   0.0700   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   86   3.2500   0.0620   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   88   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
   89   2.9400   0.0610  -0.200000   2.4980   2.2250   0.001000000   0.985400000
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    39   268.000  1.529
   38    41   469.000  1.400
   38    56   469.000  1.400
   41    42   367.000  1.080
   41    47   469.000  1.400
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    53   469.000  1.400
   51    54   450.000  1.364
   53    56   469.000  1.400
   53    58   450.000  1.364
   56    57   367.000  1.080
   58    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   54    59   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    67   317.000  1.510
   67    69   469.000  1.400
   67    85   469.000  1.400
   69    70   367.000  1.080
   69    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   469.000  1.400
   78    81   317.000  1.510
   79    80   367.000  1.080
   79    85   469.000  1.400
   85    86   317.000  1.510
   86    87   367.000  1.332
   86    88   367.000  1.332
   86    89   367.000  1.332
   81    82   367.000  1.332
   81    83   367.000  1.332
   81    84   367.000  1.332
   39    40   340.000  1.090
   39    43   390.000  1.470
   39    45   317.000  1.522
   43    44   650.000  1.157
   45    46   570.000  1.229
   45    49   490.000  1.335
   49    50   434.000  1.010
   49    52   360.000  1.404
   52    55   488.000  1.335
   52    71   250.000  1.765
   55    62   290.000  1.379
   62    68   488.000  1.335
   68    71   250.000  1.765
   68    72   295.000  1.488
   72    73   367.000  1.332
   72    74   367.000  1.332
   72    75   367.000  1.332
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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  120.00000
   33    38    56    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   33    39    45    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    47    63.00000  120.00000
   38    56    53    63.00000  120.00000
   38    56    57    35.00000  120.00000
   41    47    48    35.00000  120.00000
   41    47    51    63.00000  120.00000
   47    41    42    35.00000  120.00000
   47    51    53    63.00000  120.00000
   47    51    54    70.00000  120.00000
   51    47    48    35.00000  120.00000
   51    53    56    63.00000  120.00000
   51    53    58    70.00000  120.00000
   51    54    59    75.00000  111.00000
   53    56    57    35.00000  120.00000
   53    58    63    75.00000  111.00000
   56    38    41    63.00000  120.00000
   58    53    56    70.00000  120.00000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   54    51    53    70.00000  120.00000
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   54    59    67    85.00000  111.85700
   59    67    69    70.00000  120.00000
   59    67    85    70.00000  120.00000
   61    59    60    33.00000  107.80000
   67    59    60    35.00000  109.50000
   67    59    61    35.00000  109.50000
   67    69    70    35.00000  120.00000
   67    69    76    63.00000  120.00000
   67    85    79    63.00000  120.00000
   67    85    86    70.00000  120.00000
   69    76    77    35.00000  120.00000
   69    76    78    63.00000  120.00000
   76    69    70    35.00000  120.00000
   76    78    79    63.00000  120.00000
   76    78    81    70.00000  120.00000
   78    76    77    35.00000  120.00000
   78    79    80    35.00000  120.00000
   78    79    85    63.00000  120.00000
   78    81    82    50.00000  109.50000
   78    81    83    50.00000  109.50000
   78    81    84    50.00000  109.50000
   79    85    86    70.00000  120.00000
   85    67    69    63.00000  120.00000
   85    79    80    35.00000  120.00000
   85    86    87    50.00000  109.50000
   85    86    88    50.00000  109.50000
   85    86    89    50.00000  109.50000
   88    86    87    77.00000  109.10000
   89    86    87    77.00000  109.10000
   89    86    88    77.00000  109.10000
   81    78    79    70.00000  120.00000
   83    81    82    77.00000  109.10000
   84    81    82    77.00000  109.10000
   84    81    83    77.00000  109.10000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    43    44   150.00000  180.00000
   39    45    46    80.00000  120.40000
   39    45    49    70.00000  116.60000
   43    39    40    35.00000  108.50000
   45    39    40    35.00000  109.50000
   45    39    43    70.00000  111.78000
   45    49    50    35.00000  119.80000
   45    49    52    65.00000  121.96500
   49    45    46    80.00000  122.90000
   49    52    55    70.00000  120.00000
   49    52    71    70.00000  123.00000
   52    49    50    45.00000  118.23600
   52    55    62   100.00000  108.10500
   52    71    68   125.00000   85.95600
   55    62    68   100.00000  108.10500
   62    68    71    80.00000  114.57700
   62    68    72    65.00000  125.57700
   68    72    73    85.00000  110.61800
   68    72    74    85.00000  110.61800
   68    72    75    85.00000  110.61800
   71    52    55    80.00000  114.57700
   72    68    71    65.00000  125.49400
   74    72    73    77.00000  109.10000
   75    72    73    77.00000  109.10000
   75    72    74    77.00000  109.10000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    56  -0.16000  1.0 1.0
   29    33    38    56  -0.03200 -1.0 2.0
   29    33    38    56   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   29    33    39    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    47   3.62500 -1.0 2.0
   33    38    56    53   3.62500 -1.0 2.0
   33    38    56    57   3.62500 -1.0 2.0
   33    39    43    44   0.00000  1.0 1.0
   33    39    45    46   0.30150 -1.0 2.0
   33    39    45    49   1.39750  1.0 1.0
   33    39    45    49  -0.07950 -1.0 2.0
   33    39    45    49  -0.18750  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    56   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   34    33    39    45  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    43   0.56750  1.0 1.0
   38    33    39    43  -0.07550 -1.0 2.0
   38    33    39    43   0.20000  1.0 3.0
   38    33    39    45   0.56750  1.0 1.0
   38    33    39    45  -0.07550 -1.0 2.0
   38    33    39    45   0.20000  1.0 3.0
   38    41    47    48   3.62500 -1.0 2.0
   38    41    47    51   3.62500 -1.0 2.0
   41    38    56    53   3.62500 -1.0 2.0
   41    38    56    57   3.62500 -1.0 2.0
   41    47   -51    53   3.62500 -1.0 2.0
   41    47    51    54   3.62500 -1.0 2.0
   42    41    47    48   3.62500 -1.0 2.0
   42    41    47    51   3.62500 -1.0 2.0
   47    51    53    56   3.62500 -1.0 2.0
   47    51    53    58   3.62500 -1.0 2.0
   47    51    54    59   1.63200 -1.0 2.0
   48    47    51    53   3.62500 -1.0 2.0
   48    47    51    54   3.62500 -1.0 2.0
   51    53   -56    38   3.62500 -1.0 2.0
   51    53    56    57   3.62500 -1.0 2.0
   51    53    58    63   1.63200 -1.0 2.0
   51    54    59    60   0.08050  1.0 3.0
   51    54    59    61   0.08050  1.0 3.0
   51    54    59    67  -0.50150  1.0 1.0
   51    54    59    67  -0.23050 -1.0 2.0
   51    54    59    67   0.70600  1.0 3.0
   53    51    54    59   1.63200 -1.0 2.0
   53    58    63    64   0.08050  1.0 3.0
   53    58    63    65   0.08050  1.0 3.0
   53    58    63    66   0.08050  1.0 3.0
   56    38    41    42   3.62500 -1.0 2.0
   56    38   -41    47   3.62500 -1.0 2.0
   56    53    58    63   1.63200 -1.0 2.0
   58    53    56    38   3.62500 -1.0 2.0
   58    53    56    57   3.62500 -1.0 2.0
   54    51    53    56   3.62500 -1.0 2.0
   54    51    53    58   3.62500 -1.0 2.0
   54    59    67    69   0.64500  1.0 1.0
   54    59    67    69   0.14800 -1.0 2.0
   54    59    67    69   0.20650  1.0 3.0
   54    59    67    85   0.64500  1.0 1.0
   54    59    67    85   0.14800 -1.0 2.0
   54    59    67    85   0.20650  1.0 3.0
   59    67    69    70   3.62500 -1.0 2.0
   59    67    69    76   3.62500 -1.0 2.0
   59    67    85    79   3.62500 -1.0 2.0
   59    67    85    86   3.62500 -1.0 2.0
   60    59    67    69   0.00000  1.0 1.0
   60    59    67    85   0.00000  1.0 1.0
   61    59    67    69   0.00000  1.0 1.0
   61    59    67    85   0.00000  1.0 1.0
   67    69    76    77   3.62500 -1.0 2.0
   67    69    76    78   3.62500 -1.0 2.0
   67    85    86    87   0.00000  1.0 1.0
   67    85    86    88   0.00000  1.0 1.0
   67    85    86    89   0.00000  1.0 1.0
   69    67    85    79   3.62500 -1.0 2.0
   69    67    85    86   3.62500 -1.0 2.0
   69    76   -78    79   3.62500 -1.0 2.0
   69    76    78    81   3.62500 -1.0 2.0
   70    69    76    77   3.62500 -1.0 2.0
   70    69    76    78   3.62500 -1.0 2.0
   76    78    79    80   3.62500 -1.0 2.0
   76    78    79    85   3.62500 -1.0 2.0
   76    78    81    82   0.00000  1.0 1.0
   76    78    81    83   0.00000  1.0 1.0
   76    78    81    84   0.00000  1.0 1.0
   77    76    78    79   3.62500 -1.0 2.0
   77    76    78    81   3.62500 -1.0 2.0
   78    79   -85    67   3.62500 -1.0 2.0
   78    79    85    86   3.62500 -1.0 2.0
   79    78    81    82   0.00000  1.0 1.0
   79    78    81    83   0.00000  1.0 1.0
   79    78    81    84   0.00000  1.0 1.0
   79    85    86    87   0.00000  1.0 1.0
   79    85    86    88   0.00000  1.0 1.0
   79    85    86    89   0.00000  1.0 1.0
   80    79    85    67   3.62500 -1.0 2.0
   80    79    85    86   3.62500 -1.0 2.0
   85    67    69    70   3.62500 -1.0 2.0
   85    67   -69    76   3.62500 -1.0 2.0
   81    78    79    80   3.62500 -1.0 2.0
   81    78    79    85   3.62500 -1.0 2.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    56   0.04150 -1.0 2.0
   39    45    49    50   2.45000 -1.0 2.0
   39    45    49    52   0.76000  1.0 1.0
   39    45    49    52   4.11600 -1.0 2.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    49   0.00000  1.0 1.0
   43    39    45    46   0.30150 -1.0 2.0
   43    39    45    49   0.00000  1.0 1.0
   45    39    43    44   0.00000  1.0 1.0
   45    49    52    55   0.96250 -1.0 2.0
   45    49    52    71   0.96250 -1.0 2.0
   46    45    49    50   2.45000 -1.0 2.0
   46    45    49    52   0.04000 -1.0 2.0
   49    52    55    62   3.62500 -1.0 2.0
   49    52    71    68   3.62500 -1.0 2.0
   50    49    52    55   0.96250 -1.0 2.0
   50    49    52    71   0.96250 -1.0 2.0
   52    55   -62    68   3.62500 -1.0 2.0
   55    52   -71    68   3.62500 -1.0 2.0
   55    62   -68    71   3.62500 -1.0 2.0
   55    62    68    72   3.62500 -1.0 2.0
   62    68   -71    52   3.62500 -1.0 2.0
   62    68    72    73   0.21350  1.0 3.0
   62    68    72    74   0.21350  1.0 3.0
   62    68    72    75   0.21350  1.0 3.0
   71    52   -55    62   3.62500 -1.0 2.0
   71    68    72    73   0.04300 -1.0 2.0
   71    68    72    74   0.04300 -1.0 2.0
   71    68    72    75   0.04300 -1.0 2.0
   72    68    71    52   3.62500 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   41    56    38    33   4.00000 -1.0 2.0
   47    42    41    38   1.10000 -1.0 2.0
   51    48    47    41   1.10000 -1.0 2.0
   53    54    51    47   4.00000 -1.0 2.0
   56    58    53    51   4.00000 -1.0 2.0
   53    57    56    38   1.10000 -1.0 2.0
   69    85    67    59   4.00000 -1.0 2.0
   76    70    69    67   1.10000 -1.0 2.0
   78    77    76    69   1.10000 -1.0 2.0
   79    81    78    76   4.00000 -1.0 2.0
   85    80    79    78   1.10000 -1.0 2.0
   79    86    85    67   4.00000 -1.0 2.0
   39    49    45    46  10.50000 -1.0 2.0
   50    45    49    52   1.00000 -1.0 2.0
   55    71    52    49   4.00000 -1.0 2.0
   72    71    68    62   4.00000 -1.0 2.0
END
