* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    162    231     468
    1     0 S   NP   _N1_     1    30.52812    92.07294   -25.90054
    2     1 S   H    _HN1     2     1.03200   107.74783  -114.27825
    3     1 S   H    _H1_     3     1.02967   112.31386     2.63760
    4     1 S   H    _H2_     4     1.02726     5.04974   -18.44284
    5     1 S   CT   _CA1     5     1.50138   107.62009   124.27437
    6     5 S   HC   _HA1     6     1.09547   105.46475    49.82697
    7     5 S   CO3  _C1_     7     1.54009   111.96679   -70.75819
    8     7 S   O2Z  _O11     8     1.26517   115.25795   -47.12722
    9     7 S   O2Z  _O12     9     1.26236   114.92440   131.94763
   10     5 S   CT   _CB1    10     1.52857   107.03665   167.53338
   11    10 S   HC   HB11    11     1.09796   109.59994   -51.21356
   12    10 S   HC   HB12    12     1.09580   109.76069    64.99641
   13    10 S   CT   _CG1    13     1.52925   113.95001  -172.43418
   14    13 S   HC   HG11    14     1.09547   110.60701   -52.58275
   15    13 S   HC   HG12    15     1.09543   110.54468    67.29929
   16    13 S   C    _CD1    16     1.51751   110.60522  -172.41147
   17    16 S   O    _OE1    17     1.22805   123.03293   -14.79362
   18    16 S   N    _N2_    18     1.38542   112.35546   164.34091
   19    18 S   H    _HN2    19     1.01567   119.49918     7.35887
   20    18 S   CT1  _CA2    20     1.45992   122.41897  -170.52510
   21    20 S   HC   _HA2    21     1.09650   108.92380     3.82167
   22    20 S   C    _C2_    22     1.53392   110.54827  -111.95063
   23    22 S   O    _O2_    23     1.23121   121.79311  -155.24312
   24    20 S   CT   _CB2    32     1.53647   111.84527   124.50873
   25    24 S   HC   HB21    33     1.09683   109.26776    77.29274
   26    24 S   HC   HB22    34     1.09536   110.52669  -166.39077
   27    22 S   N    _N3_    24     1.38182   114.16171    31.91158
   28    27 S   H    _HN3    25     1.01612   119.58409    -3.30725
   29    24 S   S    _SG2    35     1.83050   115.92993   -41.53369
   30    27 S   CT   _CA3    26     1.45305   123.02493   176.97095
   31    30 S   HC   HA31    27     1.09555   107.43594   -65.55176
   32    30 S   HC   HA32    28     1.09563   108.02366    50.82733
   33    29 S   CT   _C7_    36     1.84701   101.80450   -60.46687
   34    33 S   HC   _H5_    37     1.09378   108.37295    42.06986
   35    30 S   CO3  _C3_    29     1.52909   114.25851   172.86642
   36    35 S   O2Z  _O31    30     1.26340   116.09512    -1.63781
   37    35 S   O2Z  _O32    31     1.26444   114.38974   178.47929
   38    33 S   CT   _C6_    38     1.54104   111.92329   -78.06457
   39    38 S   HC   _H4_    39     1.09435   109.75725    45.98453
   40    38 S   CT   _C5_    40     1.54129   113.53404   -78.71503
   41    40 S   HC   _H3_    41     1.09809   110.21577  -166.10964
   42    38 S   OH   _O45    86     1.43358   107.73219   160.71508
   43    42 S   HO   _H25    87     0.97249   107.60169  -176.98624
   44    40 S   CT   _C9_    42     1.53265   109.75280   -46.81049
   45    44 S   HC   _H7_    43     1.09854   109.43859   -62.87911
   46    40 S   OS   _O33    81     1.43309   110.34428    72.58523
   47    44 S   OS   _O34    44     1.43519   109.96462    56.62002
   48    44 S   CO3  _C10    78     1.54296   115.66841   179.59846
   49    48 S   O2Z  _O36    79     1.26379   116.02716    18.06400
   50    48 S   O2Z  _O35    80     1.26609   115.27257  -164.53413
   51    46 S   CT   _C4_    82     1.42066   113.25909    85.19247
   52    51 S   HC   _H13    83     1.09335   108.18413   179.96574
   53    51 S   HC   _H14    84     1.09417   110.42456    61.47011
   54    51 S   HC   _H15    85     1.09305   111.22848   -61.11395
   55    33 S   CO   _C8_    45     1.54711   108.00275   157.65137
   56    55 S   HC   _H6_    46     1.09669   108.60290   -42.69917
   57    55 S   OS   _O37    47     1.43289   109.29447  -160.03469
   58    57 S   CT   _C11    48     1.43949   117.05019   152.38468
   59    58 S   HC   _H8_    49     1.09383   107.70356   -66.66339
   60    58 S   CT   _C15    50     1.54216   113.67925    54.09502
   61    60 S   HC   _H12    51     1.09480   109.65640    39.25306
   62    60 S   CT   _C14    52     1.52675   111.94927   162.10529
   63    62 S   HC   _H11    53     1.09675   110.00151    72.59024
   64    60 S   OH   _O39    76     1.43296   110.57754   -78.79148
   65    64 S   HO   _H16    77     0.97667   108.51719   -51.69283
   66    62 S   CO   _C13    54     1.52407   111.89083   -50.68921
   67    66 S   HC   _H10    55     1.09712   108.71402   175.27387
   68    62 S   NP   _N4_    72     1.49310   108.36032  -171.94941
   69    68 S   H    _H17    73     1.03004   111.05449    65.39997
   70    68 S   H    _H18    74     1.02979   110.57068   -53.42160
   71    68 S   H    _H19    75     1.02773   112.11748  -173.82498
   72    66 S   OS   _O38    56     1.42720   108.20814    58.81610
   73    66 S   OS   _O40    67     1.43119   110.05090   -65.69991
   74    58 S   CT   _C12    57     1.54615   105.39817   176.22545
   75    74 S   HC   _H9_    58     1.09828   109.10830   -48.86051
   76    73 S   CT   _C16    68     1.42197   112.28627  -169.76226
   77    76 S   HC   _H20    69     1.09327   108.24042   180.00000
   78    76 S   HC   _H21    70     1.09415   110.47940    61.26278
   79    76 S   HC   _H22    71     1.09393   110.81785   -61.14391
   80    74 S   CT   _C17    59     1.53501   112.46371    69.30937
   81    80 S   HC   _H23    60     1.09467   111.46010   -56.20660
   82    80 S   HC   _H24    61     1.09599   108.97006  -176.12677
   83    80 S   OS   _O41    62     1.42829   109.51635    64.37600
   84    83 S   SY   _S1_    63     1.63989   119.49289   156.89662
   85    84 S   OY   _O44    64     1.46158   104.28504   -63.49893
   86    84 S   OY   _O42    65     1.46263   103.44257   177.06362
   87    84 S   OY   _O43    66     1.46088   104.38508    57.16200
  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
  14   8   2   1   1  14   7  15   7   4   1  10   6   6   7   3
   1   1   3   2   1   1   6   2  10  16   8  16   7  13   9   4
   1  14   5   5   2   1   1   8   5   6   4   3   2   1   1   7
   3   2   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    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    55    56    57    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    55    56    57    58    46    42    43  
   38    39    40    47    55    56    57    42  
   36    37  
   37  
    0  
   39    40    41    44    45    47    55    56    57    48    46    51    42    43  
   40    41    44    55    46    42    43  
   41    44    45    47    55    48    49    50    46    51    52    53    54    42    43  
   44    45    47    48    46    51    42  
   43    44    46    55  
    0  
   45    47    55    56    57    48    49    50    46    51  
   47    55    48    49    50    46  
   51    52    53    54    47    48  
   55    56    57    58    48    49    50  
   49    50    55  
   50  
    0  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58    59    60    74  
   57    58  
   58    59    60    61    62    72    74    75    80    64  
   59    60    61    62    63    66    72    74    75    80    81    82    83    68    64    65  
   60    61    62    72    74    75    80    64  
   61    62    63    66    67    72    74    75    80    73    68    69    70    71    64    65  
   62    63    66    74    68    64    65  
   63    66    67    72    74    73    76    68    69    70    71    64    65  
   66    67    72    73    68    69    70    71    64  
   65    66    68    74  
    0  
   67    72    74    75    80    73    76    77    78    79    68    69    70    71  
   72    74    73    76    68  
   69    70    71    72    73  
   70    71  
   71  
    0  
   74    75    80    81    82    83    73    76  
   76    77    78    79    74  
   75    80    81    82    83    84  
   80    81    82    83  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83    84    85    86    87  
   82    83    84  
   83    84  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   47   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   57   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.100000   1.6450   1.4500   0.008598240   0.268726247
   68   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   69   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   70   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   71   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   72   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   73   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.051100   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   2.9000   0.1400  -0.500300   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5500   0.2500   1.628500   2.0025   1.7750   0.025682759  -1.666211680
   85   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   86   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   87   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    55   250.000  1.527
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    47   320.000  1.410
   44    48   317.000  1.522
   47    55   320.000  1.380
   55    56   340.000  1.090
   55    57   320.000  1.380
   57    58   320.000  1.410
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    74   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    64   320.000  1.410
   62    63   340.000  1.090
   62    66   250.000  1.527
   62    68   367.000  1.471
   66    67   340.000  1.090
   66    72   320.000  1.380
   66    73   320.000  1.380
   72    74   320.000  1.410
   74    75   340.000  1.090
   74    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   320.000  1.410
   83    84   335.000  1.682
   84    85   735.000  1.471
   84    86   735.000  1.471
   84    87   735.000  1.471
   73    76   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   68    69   434.000  1.010
   68    70   434.000  1.010
   68    71   434.000  1.010
   64    65   553.000  0.945
   48    49   656.000  1.250
   48    50   656.000  1.250
   46    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    55    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    55    47    90.00000  108.56700
   33    55    56    45.00000  112.01100
   33    55    57    90.00000  108.56700
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    47    50.00000  109.50000
   40    44    48    70.00000  109.69300
   40    46    51    60.00000  109.50000
   44    40    41    37.50000  110.70000
   44    47    55    60.00000  109.50000
   44    48    49    70.00000  117.00000
   44    48    50    70.00000  117.00000
   47    44    45    35.00000  109.50000
   47    55    56    35.00000  109.50000
   47    55    57    92.60000  111.55000
   55    33    34    45.00000  108.72000
   55    33    38    75.00000  109.43000
   55    57    58    60.00000  109.50000
   57    55    56    35.00000  109.50000
   57    58    59    35.00000  109.50000
   57    58    60    50.00000  109.50000
   57    58    74    50.00000  109.50000
   58    60    61    37.50000  110.70000
   58    60    62    58.35000  112.70000
   58    60    64    50.00000  109.50000
   58    74    72    50.00000  109.50000
   58    74    75    37.50000  110.70000
   58    74    80    58.35000  112.70000
   60    58    59    37.50000  110.70000
   60    62    63    37.50000  110.70000
   60    62    66    75.00000  109.43000
   60    62    68    80.00000  111.20000
   60    64    65    55.00000  108.50000
   62    60    61    37.50000  110.70000
   62    66    67    45.00000  112.01100
   62    66    72    90.00000  108.56700
   62    66    73    90.00000  108.56700
   62    68    69    35.00000  109.50000
   62    68    70    35.00000  109.50000
   62    68    71    35.00000  109.50000
   66    62    63    45.00000  108.72000
   66    72    74    60.00000  109.50000
   66    73    76    60.00000  109.50000
   72    66    67    35.00000  109.50000
   72    74    75    35.00000  109.50000
   72    74    80    50.00000  109.50000
   74    58    59    37.50000  110.70000
   74    58    60    58.35000  112.70000
   74    80    81    37.50000  110.70000
   74    80    82    37.50000  110.70000
   74    80    83    50.00000  109.50000
   80    74    75    37.50000  110.70000
   80    83    84   100.00000  113.05000
   82    80    81    33.00000  107.80000
   83    80    81    35.00000  109.50000
   83    80    82    35.00000  109.50000
   83    84    85   135.00000  106.70400
   83    84    86   135.00000  106.70400
   83    84    87   135.00000  106.70400
   86    84    85   115.00000  120.17200
   87    84    85   115.00000  120.17200
   87    84    86   115.00000  120.17200
   73    66    67    35.00000  109.50000
   73    66    72    92.60000  111.55000
   73    76    77    35.00000  109.50000
   73    76    78    35.00000  109.50000
   73    76    79    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   68    62    63    35.00000  109.50000
   68    62    66    80.00000  111.20000
   70    68    69    35.00000  109.50000
   71    68    69    35.00000  109.50000
   71    68    70    35.00000  109.50000
   64    60    61    35.00000  109.50000
   64    60    62    50.00000  109.50000
   48    44    45    35.00000  109.50000
   48    44    47    85.00000  109.63000
   50    48    49    80.00000  126.00000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   46    51    52    35.00000  109.50000
   46    51    53    35.00000  109.50000
   46    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    55    47   0.56750  1.0 1.0
   29    33    55    47  -0.07550 -1.0 2.0
   29    33    55    47   0.20000  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    57   0.56750  1.0 1.0
   29    33    55    57  -0.07550 -1.0 2.0
   29    33    55    57   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.62750  1.0 1.0
   33    38    40    46  -0.30950 -1.0 2.0
   33    38    40    46   0.27300  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    55    57    58   0.06250  1.0 1.0
   33    55    57    58  -0.01100 -1.0 2.0
   33    55    57    58   0.28050  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    55    47   0.23400  1.0 3.0
   34    33    55    56   0.15000  1.0 3.0
   34    33    55    57   0.23400  1.0 3.0
   38    33    55    47   0.62750  1.0 1.0
   38    33    55    47  -0.30950 -1.0 2.0
   38    33    55    47   0.27300  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    57   0.62750  1.0 1.0
   38    33    55    57  -0.30950 -1.0 2.0
   38    33    55    57   0.27300  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    47   0.62750  1.0 1.0
   38    40   -44    47  -0.30950 -1.0 2.0
   38    40   -44    47   0.27300  1.0 3.0
   38    40    44    48  -1.63150  1.0 1.0
   38    40    44    48  -0.43550 -1.0 2.0
   38    40    44    48   0.24500  1.0 3.0
   38    40    46    51   0.06250  1.0 1.0
   38    40    46    51  -0.01100 -1.0 2.0
   38    40    46    51   0.28050  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    47    55   0.06250  1.0 1.0
   40    44    47    55  -0.01100 -1.0 2.0
   40    44    47    55   0.28050  1.0 3.0
   40    44    48    49   0.41150 -1.0 2.0
   40    44    48    50   0.41150 -1.0 2.0
   40    46    51    52   0.37050  1.0 3.0
   40    46    51    53   0.37050  1.0 3.0
   40    46    51    54   0.37050  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    47   0.23400  1.0 3.0
   41    40    44    48  -0.11250  1.0 3.0
   41    40    46    51   0.37050  1.0 3.0
   44    40    46    51   0.06250  1.0 1.0
   44    40    46    51  -0.01100 -1.0 2.0
   44    40    46    51   0.28050  1.0 3.0
   44    47   -55    33   0.06250  1.0 1.0
   44    47   -55    33  -0.01100 -1.0 2.0
   44    47   -55    33   0.28050  1.0 3.0
   44    47    55    56   0.37050  1.0 3.0
   44    47    55    57  -0.81800  1.0 1.0
   45    44    47    55   0.37050  1.0 3.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    50   0.00000  1.0 1.0
   47    44    48    49   0.30150 -1.0 2.0
   47    44    48    50   0.30150 -1.0 2.0
   47    55    57    58  -0.53350  1.0 1.0
   47    55    57    58  -0.78350 -1.0 2.0
   47    55    57    58   0.33750  1.0 3.0
   55    33    38    39   0.15000  1.0 3.0
   55    33   -38    40   3.97050  1.0 1.0
   55    33    38    42   0.86500  1.0 1.0
   55    33    38    42  -0.17500 -1.0 2.0
   55    33    38    42   0.20800  1.0 3.0
   55    57    58    59   0.37050  1.0 3.0
   55    57    58    60   0.06250  1.0 1.0
   55    57    58    60  -0.01100 -1.0 2.0
   55    57    58    60   0.28050  1.0 3.0
   55    57    58    74   0.06250  1.0 1.0
   55    57    58    74  -0.01100 -1.0 2.0
   55    57    58    74   0.28050  1.0 3.0
   56    55    57    58   0.37050  1.0 3.0
   57    58    60    61   0.23400  1.0 3.0
   57    58    60    62   0.62750  1.0 1.0
   57    58    60    62  -0.30950 -1.0 2.0
   57    58    60    62   0.27300  1.0 3.0
   57    58    60    64   3.69350  1.0 1.0
   57    58    60    64  -1.82950 -1.0 2.0
   57    58    74    72   1.11900  1.0 1.0
   57    58    74    72  -1.16350 -1.0 2.0
   57    58    74    72  -0.34150  1.0 3.0
   57    58    74    75   0.23400  1.0 3.0
   57    58    74    80   0.62750  1.0 1.0
   57    58    74    80  -0.30950 -1.0 2.0
   57    58    74    80   0.27300  1.0 3.0
   58    60    62    63   0.15000  1.0 3.0
   58    60    62    66   3.97050  1.0 1.0
   58    60    62    68   1.36600  1.0 1.0
   58    60    62    68  -0.11450 -1.0 2.0
   58    60    62    68   0.24250  1.0 3.0
   58    60    64    65  -0.11600  1.0 1.0
   58    60    64    65  -0.09450 -1.0 2.0
   58    60    64    65   0.21250  1.0 3.0
   58    74    80    81   0.15000  1.0 3.0
   58    74    80    82   0.15000  1.0 3.0
   58    74    80    83   0.62750  1.0 1.0
   58    74    80    83  -0.30950 -1.0 2.0
   58    74    80    83   0.27300  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    62   0.15000  1.0 3.0
   59    58    60    64   0.23400  1.0 3.0
   59    58    74    72   0.23400  1.0 3.0
   59    58    74    75   0.15000  1.0 3.0
   59    58    74    80   0.15000  1.0 3.0
   60    58    74    72   0.62750  1.0 1.0
   60    58    74    72  -0.30950 -1.0 2.0
   60    58    74    72   0.27300  1.0 3.0
   60    58    74    75   0.15000  1.0 3.0
   60    58    74    80   0.56750  1.0 1.0
   60    58    74    80  -0.07550 -1.0 2.0
   60    58    74    80   0.20000  1.0 3.0
   60    62    66    67   0.15000  1.0 3.0
   60    62   -66    72   0.62750  1.0 1.0
   60    62   -66    72  -0.30950 -1.0 2.0
   60    62   -66    72   0.27300  1.0 3.0
   60    62    66    73   0.62750  1.0 1.0
   60    62    66    73  -0.30950 -1.0 2.0
   60    62    66    73   0.27300  1.0 3.0
   60    62    68    69   0.17350  1.0 3.0
   60    62    68    70   0.17350  1.0 3.0
   60    62    68    71   0.17350  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    66   0.15000  1.0 3.0
   61    60    62    68   0.19200  1.0 3.0
   61    60    64    65   0.19450  1.0 3.0
   62    60    64    65  -0.11600  1.0 1.0
   62    60    64    65  -0.09450 -1.0 2.0
   62    60    64    65   0.21250  1.0 3.0
   62    66    72    74   0.06250  1.0 1.0
   62    66    72    74  -0.01100 -1.0 2.0
   62    66    72    74   0.28050  1.0 3.0
   62    66    73    76   0.06250  1.0 1.0
   62    66    73    76  -0.01100 -1.0 2.0
   62    66    73    76   0.28050  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    72   0.23400  1.0 3.0
   63    62    66    73   0.23400  1.0 3.0
   63    62    68    69   0.13050  1.0 3.0
   63    62    68    70   0.13050  1.0 3.0
   63    62    68    71   0.13050  1.0 3.0
   66    62    68    69   0.17350  1.0 3.0
   66    62    68    70   0.17350  1.0 3.0
   66    62    68    71   0.17350  1.0 3.0
   66    72   -74    58   0.06250  1.0 1.0
   66    72   -74    58  -0.01100 -1.0 2.0
   66    72   -74    58   0.28050  1.0 3.0
   66    72    74    75   0.37050  1.0 3.0
   66    72    74    80   0.06250  1.0 1.0
   66    72    74    80  -0.01100 -1.0 2.0
   66    72    74    80   0.28050  1.0 3.0
   66    73    76    77   0.37050  1.0 3.0
   66    73    76    78   0.37050  1.0 3.0
   66    73    76    79   0.37050  1.0 3.0
   67    66    72    74   0.37050  1.0 3.0
   67    66    73    76   0.37050  1.0 3.0
   72    66    73    76  -0.53350  1.0 1.0
   72    66    73    76  -0.78350 -1.0 2.0
   72    66    73    76   0.33750  1.0 3.0
   72    74    80    81   0.23400  1.0 3.0
   72    74    80    82   0.23400  1.0 3.0
   72    74    80    83   1.11900  1.0 1.0
   72    74    80    83  -1.16350 -1.0 2.0
   72    74    80    83  -0.34150  1.0 3.0
   74    58    60    61   0.15000  1.0 3.0
   74    58   -60    62   0.56750  1.0 1.0
   74    58   -60    62  -0.07550 -1.0 2.0
   74    58   -60    62   0.20000  1.0 3.0
   74    58    60    64   0.86500  1.0 1.0
   74    58    60    64  -0.17500 -1.0 2.0
   74    58    60    64   0.20800  1.0 3.0
   74    80    83    84   0.37500  1.0 3.0
   75    74    80    81   0.15000  1.0 3.0
   75    74    80    82   0.15000  1.0 3.0
   75    74    80    83   0.23400  1.0 3.0
   80    83    84    85   0.29800  1.0 3.0
   80    83    84    86   0.29800  1.0 3.0
   80    83    84    87   0.29800  1.0 3.0
   81    80    83    84   0.00000  1.0 1.0
   82    80    83    84   0.00000  1.0 1.0
   73    66    72    74  -0.81800  1.0 1.0
   68    62    66    67   0.19200  1.0 3.0
   68    62    66    72   1.69300  1.0 1.0
   68    62    66    72  -0.48450 -1.0 2.0
   68    62    66    73   1.69300  1.0 1.0
   68    62    66    73  -0.48450 -1.0 2.0
   64    60    62    63   0.23400  1.0 3.0
   64    60    62    66   0.86500  1.0 1.0
   64    60    62    66  -0.17500 -1.0 2.0
   64    60    62    66   0.20800  1.0 3.0
   64    60    62    68   1.69300  1.0 1.0
   64    60    62    68  -0.48450 -1.0 2.0
   48    44    47    55  -1.11000  1.0 1.0
   48    44    47    55   0.50250 -1.0 2.0
   48    44    47    55   0.47450  1.0 3.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    47   1.11900  1.0 1.0
   46    40    44    47  -1.16350 -1.0 2.0
   46    40    44    47  -0.34150  1.0 3.0
   46    40    44    48  -3.35100  1.0 1.0
   46    40    44    48  -0.37050 -1.0 2.0
   46    40    44    48   0.22400  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   3.69350  1.0 1.0
   42    38    40    46  -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
   36    30    35    37  10.50000 -1.0 2.0
   49    44    48    50  10.50000 -1.0 2.0
END
