* LIGAND DATABASE FILE (OPLS2005)
*
001      93    92    164    229     469
    1     0 S   NP   _N1_     1    28.29206    92.92903   -21.58342
    2     1 S   H    _HN1     2     1.02763    97.11859   -80.59061
    3     1 S   H    _H1_     3     1.02960    90.71400    27.99360
    4     1 S   H    _H2_     4     1.02849    24.23018   161.19644
    5     1 S   CT   _CA1     5     1.50118   134.44602   148.01515
    6     5 S   HC   _HA1     6     1.09579   105.17687    64.74252
    7     5 S   CO3  _C1_     7     1.53756   112.41994   -55.38354
    8     7 S   O2Z  _O11     8     1.26360   114.98299   -42.58565
    9     7 S   O2Z  _O12     9     1.26231   114.91680   136.51866
   10     5 S   CT   _CB1    10     1.53116   107.50925  -177.34038
   11    10 S   HC   HB11    11     1.09753   109.22581   -50.49507
   12    10 S   HC   HB12    12     1.09810   110.52861    65.94584
   13    10 S   CT   _CG1    13     1.53038   112.64486  -171.78953
   14    13 S   HC   HG11    14     1.09596   110.34959   -67.12849
   15    13 S   HC   HG12    15     1.09668   109.98845    52.03035
   16    13 S   C    _CD1    16     1.51838   112.45814   172.06620
   17    16 S   O    _OE1    17     1.22749   123.24459    -3.90861
   18    16 S   N    _N2_    18     1.38644   111.66040   177.15683
   19    18 S   H    _HN2    19     1.01593   119.13359    -0.06561
   20    18 S   CT1  _CA2    20     1.46253   123.41881   177.68033
   21    20 S   HC   _HA2    21     1.09735   109.20090     1.54674
   22    20 S   C    _C2_    22     1.53686   109.51698  -114.16088
   23    22 S   O    _O2_    23     1.23074   122.08861  -157.56105
   24    20 S   CT   _CB2    32     1.53469   111.61073   123.42198
   25    24 S   HC   HB21    33     1.09553   109.57281    58.16107
   26    24 S   HC   HB22    34     1.09311   109.59506   176.71819
   27    22 S   N    _N3_    24     1.38224   114.11878    29.41571
   28    27 S   H    _HN3    25     1.01546   119.40700    -4.19367
   29    24 S   S    _SG2    35     1.83443   111.37360   -62.71114
   30    27 S   CT   _CA3    26     1.45310   123.19426   178.31217
   31    30 S   HC   HA31    27     1.09498   107.86640   -58.53548
   32    30 S   HC   HA32    28     1.09550   107.70336    57.90211
   33    29 S   CT   _C24    36     1.86995   101.43695  -175.08382
   34    33 S   OM   _O41    37     1.31271   110.23495   -56.70168
   35    30 S   CO3  _C3_    29     1.52873   113.95864   179.59700
   36    35 S   O2Z  _O31    30     1.26372   115.93866     0.52227
   37    35 S   O2Z  _O32    31     1.26346   114.58601  -179.60485
   38    33 S   CM   _C23    38     1.52509   107.47633    70.65627
   39    38 S   HC   _H24    39     1.09381   111.95170    66.58312
   40    33 S   S    _S1_    89     1.87599   105.83563  -174.22800
   41    38 S   CMA  _C22    40     1.35809   132.68574  -112.87474
   42    41 S   OM   _O42    41     1.26205   132.58380    -0.07402
   43    40 S   CT   _C25    90     1.81599   101.11911  -176.39935
   44    43 S   HC   _H25    91     1.09371   108.49254  -179.05229
   45    43 S   HC   _H26    92     1.09260   111.09424    62.48885
   46    43 S   HC   _H27    93     1.09272   111.24605   -60.45651
   47    41 S   CT   _C21    42     1.52631   116.30569  -179.08657
   48    47 S   HC   _H22    43     1.09812   112.05378    22.38185
   49    47 S   HC   _H23    44     1.09960   111.86515   139.60739
   50    47 S   CO4  _C20    45     1.52515   111.78650   -98.35818
   51    50 S   O    _O40    46     1.23184   121.14292  -108.71956
   52    50 S   CT   _C19    47     1.51339   116.91766    71.77752
   53    52 S   HC   _H20    48     1.09558   108.56328    52.80740
   54    52 S   HC   _H21    49     1.09288   109.86839   -64.88745
   55    52 S   CO4  _C18    50     1.51030   114.32834   173.16267
   56    55 S   O    _O39    51     1.23132   120.89087   -96.08036
   57    55 S   CT   _C17    52     1.51249   116.89188    83.00812
   58    57 S   HC   _H18    53     1.09466   109.00967   -60.75720
   59    57 S   HC   _H19    54     1.09443   109.11749    57.01922
   60    57 S   CO4  _C16    55     1.51141   113.79242   178.29808
   61    60 S   O    _O38    56     1.23132   121.44589   100.33543
   62    60 S   CT   _C15    57     1.51152   117.31494   -80.05605
   63    62 S   HC   _H16    58     1.09527   108.14700   150.70561
   64    62 S   HC   _H17    59     1.09463   108.93831    33.76516
   65    62 S   CO4  _C14    60     1.51143   114.04337   -88.33131
   66    65 S   O    _O37    61     1.22965   121.97240    -4.70403
   67    65 S   CT   _C13    62     1.51191   115.91120   175.35000
   68    67 S   HC   _H14    63     1.09431   109.02929   -62.18348
   69    67 S   HC   _H15    64     1.09563   108.39232    55.01995
   70    67 S   CO4  _C12    65     1.51163   114.43384   175.47260
   71    70 S   O    _O36    66     1.23163   121.08909  -101.73323
   72    70 S   CT   _C11    67     1.51118   117.64644    78.47399
   73    72 S   HC   _H12    68     1.09491   108.03359  -159.62046
   74    72 S   HC   _H13    69     1.09350   108.68779   -42.67808
   75    72 S   CO4  _C10    70     1.51142   114.32690    79.07367
   76    75 S   O    _O35    71     1.23083   122.37484     0.86321
   77    75 S   CT   _C9_    72     1.51041   116.68827  -179.84549
   78    77 S   HC   _H10    73     1.09530   108.35534   159.17543
   79    77 S   HC   _H11    74     1.09373   108.27535    42.45224
   80    77 S   CO4  _C8_    75     1.51127   114.42634   -79.75164
   81    80 S   O    _O34    76     1.22996   122.01609    -7.86834
   82    80 S   CT   _C7_    77     1.51143   115.87278   174.30006
   83    82 S   HC   _H8_    78     1.09521   107.94138    67.15151
   84    82 S   HC   _H9_    79     1.09416   109.69007   -50.09008
   85    82 S   CO4  _C6_    80     1.51088   114.70859  -172.09465
   86    85 S   O    _O33    81     1.23121   120.57591  -105.93565
   87    85 S   CT   _C5_    82     1.51928   116.73286    74.44827
   88    87 S   HC   _H6_    83     1.09433   108.69158   -57.79984
   89    87 S   HC   _H7_    84     1.09495   108.09396    59.98945
   90    87 S   CT   _C4_    85     1.51809   112.55660  -179.03247
   91    90 S   HC   _H3_    86     1.09503   111.06412   -59.92716
   92    90 S   HC   _H4_    87     1.09432   110.37808  -179.92867
   93    90 S   HC   _H5_    88     1.09503   111.02651    60.05314
  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   7   5   4   3
  11   5   2   1   1   9   4   5   7   4   3   2   1   1   8   4
   3   7   4   8   4   3   7   4   8   4   3   7   4   8   4   3
   7   4   8   4   3   7   4   8   4   3   7   4   8   4   3   7
   4   8   4   3   8   4   6   5   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    47    40    43    44    45    46  
   38    39    41    40    43  
   36    37  
   37  
    0  
   39    41    42    47    48    49    50    40    43  
   41    42    47    40  
   43    44    45    46    41  
   42    47    48    49    50    51    52  
   47    48    49    50  
   44    45    46  
   45    46  
   46  
    0  
   48    49    50    51    52    53    54    55  
   49    50    51    52  
   50    51    52  
   51    52    53    54    55    56    57  
   52    53    54    55  
   53    54    55    56    57    58    59    60  
   54    55    56    57  
   55    56    57  
   56    57    58    59    60    61    62  
   57    58    59    60  
   58    59    60    61    62    63    64    65  
   59    60    61    62  
   60    61    62  
   61    62    63    64    65    66    67  
   62    63    64    65  
   63    64    65    66    67    68    69    70  
   64    65    66    67  
   65    66    67  
   66    67    68    69    70    71    72  
   67    68    69    70  
   68    69    70    71    72    73    74    75  
   69    70    71    72  
   70    71    72  
   71    72    73    74    75    76    77  
   72    73    74    75  
   73    74    75    76    77    78    79    80  
   74    75    76    77  
   75    76    77  
   76    77    78    79    80    81    82  
   77    78    79    80  
   78    79    80    81    82    83    84    85  
   79    80    81    82  
   80    81    82  
   81    82    83    84    85    86    87  
   82    83    84    85  
   83    84    85    86    87    88    89    90  
   84    85    86    87  
   85    86    87  
   86    87    88    89    90    91    92    93  
   87    88    89    90  
   88    89    90    91    92    93  
   89    90    91    92    93  
   90    91    92    93  
   91    92    93  
   92    93  
   93  
    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  -0.175000   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   4.2000   0.3000  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   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    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   570.000  1.307
   33    38   317.000  1.510
   33    40   222.000  1.810
   38    39   340.000  1.080
   38    41   465.000  1.376
   41    42   745.000  1.250
   41    47   270.000  1.512
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   317.000  1.522
   50    51   570.000  1.229
   50    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   317.000  1.522
   55    56   570.000  1.229
   55    57   317.000  1.522
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   317.000  1.522
   60    61   570.000  1.229
   60    62   317.000  1.522
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   317.000  1.522
   65    66   570.000  1.229
   65    67   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   317.000  1.522
   70    71   570.000  1.229
   70    72   317.000  1.522
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   317.000  1.522
   75    76   570.000  1.229
   75    77   317.000  1.522
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   317.000  1.522
   80    81   570.000  1.229
   80    82   317.000  1.522
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   317.000  1.522
   85    86   570.000  1.229
   85    87   317.000  1.522
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   40    43   222.000  1.810
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  118.28000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    43    62.00000   98.90000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    47    65.00000  122.18000
   41    38    39    40.00000  120.50800
   41    47    48    45.00000  110.52000
   41    47    49    45.00000  110.52000
   41    47    50    70.00000  109.06800
   47    41    42    85.00000  112.85300
   47    50    51    80.00000  120.40000
   47    50    52    70.00000  116.00000
   49    47    48    33.00000  107.80000
   50    47    48    35.00000  109.50000
   50    47    49    35.00000  109.50000
   50    52    53    35.00000  109.50000
   50    52    54    35.00000  109.50000
   50    52    55    75.00000  107.99600
   52    50    51    80.00000  120.40000
   52    55    56    80.00000  120.40000
   52    55    57    70.00000  116.00000
   54    52    53    33.00000  107.80000
   55    52    53    35.00000  109.50000
   55    52    54    35.00000  109.50000
   55    57    58    35.00000  109.50000
   55    57    59    35.00000  109.50000
   55    57    60    75.00000  107.99600
   57    55    56    80.00000  120.40000
   57    60    61    80.00000  120.40000
   57    60    62    70.00000  116.00000
   59    57    58    33.00000  107.80000
   60    57    58    35.00000  109.50000
   60    57    59    35.00000  109.50000
   60    62    63    35.00000  109.50000
   60    62    64    35.00000  109.50000
   60    62    65    75.00000  107.99600
   62    60    61    80.00000  120.40000
   62    65    66    80.00000  120.40000
   62    65    67    70.00000  116.00000
   64    62    63    33.00000  107.80000
   65    62    63    35.00000  109.50000
   65    62    64    35.00000  109.50000
   65    67    68    35.00000  109.50000
   65    67    69    35.00000  109.50000
   65    67    70    75.00000  107.99600
   67    65    66    80.00000  120.40000
   67    70    71    80.00000  120.40000
   67    70    72    70.00000  116.00000
   69    67    68    33.00000  107.80000
   70    67    68    35.00000  109.50000
   70    67    69    35.00000  109.50000
   70    72    73    35.00000  109.50000
   70    72    74    35.00000  109.50000
   70    72    75    75.00000  107.99600
   72    70    71    80.00000  120.40000
   72    75    76    80.00000  120.40000
   72    75    77    70.00000  116.00000
   74    72    73    33.00000  107.80000
   75    72    73    35.00000  109.50000
   75    72    74    35.00000  109.50000
   75    77    78    35.00000  109.50000
   75    77    79    35.00000  109.50000
   75    77    80    75.00000  107.99600
   77    75    76    80.00000  120.40000
   77    80    81    80.00000  120.40000
   77    80    82    70.00000  116.00000
   79    77    78    33.00000  107.80000
   80    77    78    35.00000  109.50000
   80    77    79    35.00000  109.50000
   80    82    83    35.00000  109.50000
   80    82    84    35.00000  109.50000
   80    82    85    75.00000  107.99600
   82    80    81    80.00000  120.40000
   82    85    86    80.00000  120.40000
   82    85    87    70.00000  116.00000
   84    82    83    33.00000  107.80000
   85    82    83    35.00000  109.50000
   85    82    84    35.00000  109.50000
   85    87    88    35.00000  109.50000
   85    87    89    35.00000  109.50000
   85    87    90    63.00000  111.10000
   87    85    86    80.00000  120.40000
   87    90    91    37.50000  110.70000
   87    90    92    37.50000  110.70000
   87    90    93    37.50000  110.70000
   89    87    88    33.00000  107.80000
   90    87    88    37.50000  110.70000
   90    87    89    37.50000  110.70000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   40    33    34    85.00000  114.68000
   40    33    38    75.00000  112.20000
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    46    35.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.08500  1.0 1.0
   24    29    33    40  -0.53150 -1.0 2.0
   24    29    33    40   0.48050  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    40    43   0.08500  1.0 1.0
   29    33    40    43  -0.53150 -1.0 2.0
   29    33    40    43   0.48050  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    47   7.00000 -1.0 2.0
   33    40    43    44   0.32350  1.0 3.0
   33    40    43    45   0.32350  1.0 3.0
   33    40    43    46   0.32350  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    40    43   0.13850  1.0 1.0
   34    33    40    43  -1.34450 -1.0 2.0
   34    33    40    43   0.57400  1.0 3.0
   38    33    40    43  -0.62250  1.0 1.0
   38    33    40    43  -0.38450 -1.0 2.0
   38    33    40    43   0.81900  1.0 3.0
   38    41    47    48   0.00000  1.0 1.0
   38    41    47    49   0.00000  1.0 1.0
   38    41    47    50  -0.51250  1.0 1.0
   38    41    47    50  -0.88800 -1.0 2.0
   38    41    47    50   0.08850  1.0 3.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    47   7.00000 -1.0 2.0
   41    47    50    51   0.30150 -1.0 2.0
   41    47    50    52   0.65300  1.0 1.0
   41    47    50    52  -0.03850 -1.0 2.0
   41    47    50    52   0.33900  1.0 3.0
   42    41    47    48   0.00000  1.0 1.0
   42    41    47    49   0.00000  1.0 1.0
   42    41    47    50   0.09700  1.0 1.0
   42    41    47    50   0.15600 -1.0 2.0
   42    41    47    50  -0.50800  1.0 3.0
   47    50    52    53   0.00000  1.0 1.0
   47    50    52    54   0.00000  1.0 1.0
   47    50    52    55   0.65300  1.0 1.0
   47    50    52    55  -0.03850 -1.0 2.0
   47    50    52    55   0.33900  1.0 3.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    52   0.00000  1.0 1.0
   49    47    50    51   0.00000  1.0 1.0
   49    47    50    52   0.00000  1.0 1.0
   50    52    55    56   0.30150 -1.0 2.0
   50    52    55    57   0.65300  1.0 1.0
   50    52    55    57  -0.03850 -1.0 2.0
   50    52    55    57   0.33900  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    52    55   0.30150 -1.0 2.0
   52    55    57    58   0.00000  1.0 1.0
   52    55    57    59   0.00000  1.0 1.0
   52    55    57    60   0.65300  1.0 1.0
   52    55    57    60  -0.03850 -1.0 2.0
   52    55    57    60   0.33900  1.0 3.0
   53    52    55    56   0.00000  1.0 1.0
   53    52    55    57   0.00000  1.0 1.0
   54    52    55    56   0.00000  1.0 1.0
   54    52    55    57   0.00000  1.0 1.0
   55    57    60    61   0.30150 -1.0 2.0
   55    57    60    62   0.65300  1.0 1.0
   55    57    60    62  -0.03850 -1.0 2.0
   55    57    60    62   0.33900  1.0 3.0
   56    55    57    58   0.00000  1.0 1.0
   56    55    57    59   0.00000  1.0 1.0
   56    55    57    60   0.30150 -1.0 2.0
   57    60    62    63   0.00000  1.0 1.0
   57    60    62    64   0.00000  1.0 1.0
   57    60    62    65   0.65300  1.0 1.0
   57    60    62    65  -0.03850 -1.0 2.0
   57    60    62    65   0.33900  1.0 3.0
   58    57    60    61   0.00000  1.0 1.0
   58    57    60    62   0.00000  1.0 1.0
   59    57    60    61   0.00000  1.0 1.0
   59    57    60    62   0.00000  1.0 1.0
   60    62    65    66   0.30150 -1.0 2.0
   60    62    65    67   0.65300  1.0 1.0
   60    62    65    67  -0.03850 -1.0 2.0
   60    62    65    67   0.33900  1.0 3.0
   61    60    62    63   0.00000  1.0 1.0
   61    60    62    64   0.00000  1.0 1.0
   61    60    62    65   0.30150 -1.0 2.0
   62    65    67    68   0.00000  1.0 1.0
   62    65    67    69   0.00000  1.0 1.0
   62    65    67    70   0.65300  1.0 1.0
   62    65    67    70  -0.03850 -1.0 2.0
   62    65    67    70   0.33900  1.0 3.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    67   0.00000  1.0 1.0
   64    62    65    66   0.00000  1.0 1.0
   64    62    65    67   0.00000  1.0 1.0
   65    67    70    71   0.30150 -1.0 2.0
   65    67    70    72   0.65300  1.0 1.0
   65    67    70    72  -0.03850 -1.0 2.0
   65    67    70    72   0.33900  1.0 3.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    69   0.00000  1.0 1.0
   66    65    67    70   0.30150 -1.0 2.0
   67    70    72    73   0.00000  1.0 1.0
   67    70    72    74   0.00000  1.0 1.0
   67    70    72    75   0.65300  1.0 1.0
   67    70    72    75  -0.03850 -1.0 2.0
   67    70    72    75   0.33900  1.0 3.0
   68    67    70    71   0.00000  1.0 1.0
   68    67    70    72   0.00000  1.0 1.0
   69    67    70    71   0.00000  1.0 1.0
   69    67    70    72   0.00000  1.0 1.0
   70    72    75    76   0.30150 -1.0 2.0
   70    72    75    77   0.65300  1.0 1.0
   70    72    75    77  -0.03850 -1.0 2.0
   70    72    75    77   0.33900  1.0 3.0
   71    70    72    73   0.00000  1.0 1.0
   71    70    72    74   0.00000  1.0 1.0
   71    70    72    75   0.30150 -1.0 2.0
   72    75    77    78   0.00000  1.0 1.0
   72    75    77    79   0.00000  1.0 1.0
   72    75    77    80   0.65300  1.0 1.0
   72    75    77    80  -0.03850 -1.0 2.0
   72    75    77    80   0.33900  1.0 3.0
   73    72    75    76   0.00000  1.0 1.0
   73    72    75    77   0.00000  1.0 1.0
   74    72    75    76   0.00000  1.0 1.0
   74    72    75    77   0.00000  1.0 1.0
   75    77    80    81   0.30150 -1.0 2.0
   75    77    80    82   0.65300  1.0 1.0
   75    77    80    82  -0.03850 -1.0 2.0
   75    77    80    82   0.33900  1.0 3.0
   76    75    77    78   0.00000  1.0 1.0
   76    75    77    79   0.00000  1.0 1.0
   76    75    77    80   0.30150 -1.0 2.0
   77    80    82    83   0.00000  1.0 1.0
   77    80    82    84   0.00000  1.0 1.0
   77    80    82    85   0.65300  1.0 1.0
   77    80    82    85  -0.03850 -1.0 2.0
   77    80    82    85   0.33900  1.0 3.0
   78    77    80    81   0.00000  1.0 1.0
   78    77    80    82   0.00000  1.0 1.0
   79    77    80    81   0.00000  1.0 1.0
   79    77    80    82   0.00000  1.0 1.0
   80    82    85    86   0.30150 -1.0 2.0
   80    82    85    87   0.65300  1.0 1.0
   80    82    85    87  -0.03850 -1.0 2.0
   80    82    85    87   0.33900  1.0 3.0
   81    80    82    83   0.00000  1.0 1.0
   81    80    82    84   0.00000  1.0 1.0
   81    80    82    85   0.30150 -1.0 2.0
   82    85    87    88   0.00000  1.0 1.0
   82    85    87    89   0.00000  1.0 1.0
   82    85    87    90   0.60050  1.0 1.0
   82    85    87    90   0.05600 -1.0 2.0
   82    85    87    90   0.26150  1.0 3.0
   83    82    85    86   0.00000  1.0 1.0
   83    82    85    87   0.00000  1.0 1.0
   84    82    85    86   0.00000  1.0 1.0
   84    82    85    87   0.00000  1.0 1.0
   85    87    90    91  -0.11250  1.0 3.0
   85    87    90    92  -0.11250  1.0 3.0
   85    87    90    93  -0.11250  1.0 3.0
   86    85    87    88   0.00000  1.0 1.0
   86    85    87    89   0.00000  1.0 1.0
   86    85    87    90   0.30150 -1.0 2.0
   88    87    90    91   0.15000  1.0 3.0
   88    87    90    92   0.15000  1.0 3.0
   88    87    90    93   0.15000  1.0 3.0
   89    87    90    91   0.15000  1.0 3.0
   89    87    90    92   0.15000  1.0 3.0
   89    87    90    93   0.15000  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    41   0.42700  1.0 1.0
   40    33    38    41  -0.70350 -1.0 2.0
   40    33    38    41  -0.43150  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41  15.00000 -1.0 2.0
   47    42    41    38  15.00000 -1.0 2.0
   47    52    50    51  10.50000 -1.0 2.0
   52    57    55    56  10.50000 -1.0 2.0
   57    62    60    61  10.50000 -1.0 2.0
   62    67    65    66  10.50000 -1.0 2.0
   67    72    70    71  10.50000 -1.0 2.0
   72    77    75    76  10.50000 -1.0 2.0
   77    82    80    81  10.50000 -1.0 2.0
   82    87    85    86  10.50000 -1.0 2.0
END
