* LIGAND DATABASE FILE (OPLS2005)
*
001      92    95    174    275     503
    1     0 S   NP   _N1_     1    28.49510    94.06519   -24.00256
    2     1 S   H    _HN1     2     1.02830    21.10052   178.04295
    3     1 S   H    _H1_     3     1.02775   107.45890   -87.28603
    4     1 S   H    _H2_     4     1.02960    87.69754    21.23619
    5     1 S   CT   _CA1     5     1.50156   127.20539   135.21249
    6     5 S   HC   _HA1     6     1.09583   105.16403    74.29732
    7     5 S   CO3  _C1_     7     1.53738   112.33597   -45.75107
    8     7 S   O2Z  _O11     8     1.26365   114.96213   -43.69322
    9     7 S   O2Z  _O12     9     1.26234   114.88818   135.14457
   10     5 S   CT   _CB1    10     1.53064   107.37489  -167.92001
   11    10 S   HC   HB11    11     1.09833   109.12740   -51.00198
   12    10 S   HC   HB12    12     1.09817   110.49953    65.47786
   13    10 S   CT   _CG1    13     1.53042   112.78859  -172.11220
   14    13 S   HC   HG11    14     1.09596   110.50921   -67.48504
   15    13 S   HC   HG12    15     1.09666   109.91385    51.77379
   16    13 S   C    _CD1    16     1.51857   112.18015   171.96471
   17    16 S   O    _OE1    17     1.22757   123.22284     2.85328
   18    16 S   N    _N2_    18     1.38644   111.78853  -176.87175
   19    18 S   H    _HN2    19     1.01603   119.02345    -0.38052
   20    18 S   CT1  _CA2    20     1.46161   123.24034   177.99396
   21    20 S   HC   _HA2    21     1.09735   109.40189    -5.36261
   22    20 S   C    _C2_    22     1.53462   108.44603  -120.98805
   23    22 S   O    _O2_    23     1.23044   122.11700  -146.15602
   24    20 S   CT   _CB2    32     1.53514   111.83492   116.75709
   25    24 S   HC   HB21    33     1.09349   109.37606    58.95119
   26    24 S   HC   HB22    34     1.09483   109.39097   177.30674
   27    22 S   N    _N3_    24     1.38446   113.62193    41.16243
   28    27 S   H    _HN3    25     1.01500   119.01245    -0.53045
   29    24 S   S    _SG2    35     1.83008   111.37628   -63.48847
   30    27 S   CT   _CA3    26     1.45422   123.27897   175.30110
   31    30 S   HC   HA31    27     1.09535   109.12504    27.54062
   32    30 S   HC   HA32    28     1.09494   107.19008   144.50388
   33    29 S   CT   _C10    36     1.87152   103.29275   169.04546
   34    30 S   CO3  _C3_    29     1.52895   113.02082   -95.84287
   35    34 S   O2Z  _O31    30     1.26404   115.32614   -47.56282
   36    34 S   O2Z  _O32    31     1.26345   115.02367   133.30784
   37    33 S   CT   _C11    37     1.56040   109.52314    44.21531
   38    37 S   HC   _H19    38     1.09660   110.35934   -66.57230
   39    37 S   HC   _H20    39     1.09076   112.55105    50.80080
   40    33 S   CT   _C9_    73     1.58086   109.33740   170.14060
   41    40 S   HC   _H17    74     1.09366   108.68189  -175.18342
   42    40 S   HC   _H18    75     1.09496   110.66460    69.08300
   43    37 S   S    _S1_    40     1.83323   116.14986   174.42399
   44    40 S   NP   _N4_    76     1.55517   121.70461   -52.82798
   45    43 S   C4T  _C12    41     1.82635    98.74494    41.78756
   46    45 S   HC   _H3_    42     1.09511   113.79884  -114.11521
   47    44 S   CT   _C5_    77     1.55294   112.33105    79.83351
   48    47 S   HC   _H9_    78     1.09473   108.31042    16.12896
   49    47 S   HC   _H10    79     1.09375   109.83908  -104.73444
   50    44 S   CT   _C4_    89     1.51644   114.66021   -46.28042
   51    50 S   HC   _H6_    90     1.09153   108.59977   -53.47086
   52    50 S   HC   _H7_    91     1.09032   109.02421    69.27959
   53    50 S   HC   _H8_    92     1.09513   108.62129  -172.95706
   54    45 S   C4T  _C13    43     1.55796   115.96227   111.04397
   55    54 S   HC   _H4_    44     1.09597   113.62531   132.97624
   56    45 S   N4   _N5_    47     1.44919   110.97005    13.93828
   57    47 S   CT   _C6_    80     1.51523   105.21544   133.63411
   58    57 S   HC   _H11    81     1.09368   112.05853  -159.47983
   59    57 S   HC   _H12    82     1.09620   110.72659    79.66560
   60    54 S   C4   _C14    45     1.55334    85.02530  -114.01729
   61    60 S   O    _O33    46     1.20895   136.87519   179.81233
   62    33 S   CT1  _C15    48     1.58076   107.46128   -71.56626
   63    62 S   HC   _H5_    49     1.09695   109.97977    38.52380
   64    54 S   N    _N6_    53     1.47712   116.84652     1.10358
   65    64 S   H    _H21    54     1.01749   118.99376    13.07907
   66    57 S   CT   _C7_    83     1.50834   102.60202   -38.61018
   67    66 S   HC   _H13    84     1.09366   112.55747   165.92733
   68    66 S   HC   _H14    85     1.09651   110.60066   -73.11159
   69    62 S   CO3  _C16    50     1.54665   115.96287   -79.32094
   70    69 S   O2Z  _O35    51     1.26345   114.90878    83.11874
   71    69 S   O2Z  _O34    52     1.26413   115.64701   -96.04639
   72    64 S   C    _C17    55     1.37816   122.95010  -163.91975
   73    72 S   O    _O36    56     1.22031   128.46093    -3.10860
   74    44 S   CT   _C8_    86     1.57235   107.80586  -166.45221
   75    74 S   HC   _H15    87     1.09558   108.13996   131.69010
   76    74 S   HC   _H16    88     1.09376   110.23695    12.45367
   77    72 S   CD   _C18    57     1.50697   112.64523   175.94122
   78    77 S   C5B  _C20    58     1.45348   119.71002   -76.73864
   79    77 S   NI   _N7_    67     1.29806   121.72399   102.67280
   80    78 S   C5A  _C21    59     1.38174   125.54706  -177.51328
   81    80 S   HA   _H25    60     1.08110   128.84663     0.63674
   82    79 S   OS   _O37    68     1.40183   111.39997    -0.38765
   83    80 S   SA   _S2_    61     1.71114   110.16486  -179.21840
   84    82 S   CT   _C19    69     1.41971   108.17273   179.34958
   85    84 S   HC   _H22    70     1.09316   108.47296  -180.00000
   86    84 S   HC   _H23    71     1.09443   110.33402    60.99302
   87    84 S   HC   _H24    72     1.09443   110.33751   -60.96452
   88    83 S   CRA  _C22    62     1.72302    89.94548     0.12195
   89    78 S   N5B  _N8_    63     1.38837   120.08231     3.28968
   90    88 S   NE   _N9_    64     1.34557   120.31363   179.61692
   91    90 S   H    _H26    65     1.01460   121.95783  -179.69417
   92    90 S   H    _H27    66     1.01441   122.21561    -0.17914
  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  13   5   4   3
  19   2   1   1  14   5   4  20   6   5   8  17  12   6  15   7
   6   8   3   2   1  10   6   8   8   5   4   7   2   4   3   6
   3   5   4   3   2   1   1   7   3   2   1   1   9   8   7   5
   3   4   5   3   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    62    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    56    62    63    69    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    45    60    56    62    63    69    70    71    40    41    42    44    47    74    50  
   35    36  
   36  
    0  
   38    39    43    45    46    54    56    62    63    69    40    41    42    44  
   39    43    45    62    40  
   43    45    62    40  
   41    42    44    47    48    49    57    66    74    75    76    50    51    52    53    43    56    62    63    69  
   42    44    47    74    50    62  
   44    47    74    50    62  
   45    46    54    55    60    56    62    64  
   47    48    49    57    58    59    66    67    68    74    75    76    50    51    52    53    62  
   46    54    55    60    61    56    62    63    69    64    65    72  
   54    55    60    56    62    64  
   48    49    57    58    59    66    67    68    74    75    76    50    51    52    53  
   49    57    58    59    66    74    50  
   57    58    59    66    74    50  
   51    52    53    57    66    74    75    76  
   52    53    74  
   53    74  
   74  
   55    60    61    56    62    64    65    72    73    77  
   60    61    56    64    65    72  
   62    63    69    70    71    64    60    61  
   58    59    66    67    68    74    75    76  
   59    66    67    68    74  
   66    67    68    74  
   61    62    63    69    64    65    72  
   62    64  
   63    69    70    71  
   69    70    71  
   65    72    73    77    78    79  
   72    73    77  
   67    68    74    75    76  
   68    74    75    76  
   74    75    76  
   70    71  
   71  
    0  
   73    77    78    80    89    79    82  
   77    78    79  
   75    76  
   76  
    0  
   78    80    81    83    88    89    79    82    84  
   80    81    83    88    89    90    79    82  
   82    84    85    86    87    80    89  
   81    83    88    89    90  
   83    88    89  
   84    85    86    87  
   88    89    90    91    92  
   85    86    87  
   86    87  
   87  
    0  
   89    90    91    92  
   90    91    92  
   91    92  
   92  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   43   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.2500   0.1700   0.510000   2.0080   1.7800   0.003973653   1.685851020
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   62   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   65   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   72   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   74   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   79   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   80   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   82   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   83   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   84   3.5000   0.0660   0.042500   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   89   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   90   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   91   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   92   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    62   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   222.000  1.810
   43    45   200.000  1.824
   45    46   340.000  1.090
   45    54   268.000  1.529
   45    56   305.000  1.456
   54    55   340.000  1.090
   54    60   250.000  1.540
   54    64   337.000  1.449
   60    61   930.000  1.212
   60    56   440.000  1.369
   56    62   337.000  1.449
   62    63   340.000  1.090
   62    69   317.000  1.522
   69    70   656.000  1.250
   69    71   656.000  1.250
   64    65   434.000  1.010
   64    72   490.000  1.335
   72    73   570.000  1.229
   72    77   270.000  1.486
   77    78   305.000  1.466
   77    79   500.000  1.261
   78    80   520.000  1.370
   78    89   410.000  1.394
   80    81   367.000  1.080
   80    83   265.000  1.745
   83    88   250.000  1.765
   88    89   488.000  1.335
   88    90   420.000  1.385
   90    91   434.000  1.010
   90    92   434.000  1.010
   79    82   320.000  1.394
   82    84   320.000  1.410
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   367.000  1.471
   44    47   367.000  1.471
   44    74   367.000  1.471
   44    50   367.000  1.471
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    62    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    75.00000  111.63000
   33    62    56    80.00000  109.70000
   33    62    63    37.50000  110.70000
   33    62    69    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    80.00000  111.20000
   37    43    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    45.00000  109.41400
   43    45    54    65.00000  119.05700
   43    45    56    80.00000  108.62000
   45    54    55    37.50000  110.70000
   45    54    60   100.00000   86.36000
   45    54    64    80.00000  110.05700
   45    56    60   100.00000   93.00000
   45    56    62    50.00000  132.70000
   54    45    46    37.50000  110.70000
   54    60    61    60.00000  136.58000
   54    60    56    95.00000   92.72400
   54    64    65    38.00000  118.40000
   54    64    72    50.00000  121.90000
   60    54    55    40.00000  113.37500
   60    56    62    50.00000  132.10000
   56    45    46    50.00000  112.01000
   56    45    54   105.00000   87.49700
   56    60    61    75.00000  131.60000
   56    62    63    35.00000  109.50000
   56    62    69    63.00000  110.10000
   62    33    37    58.35000  112.70000
   62    69    70    70.00000  117.00000
   62    69    71    70.00000  117.00000
   69    62    63    35.00000  109.50000
   71    69    70    80.00000  126.00000
   64    54    55    50.00000  112.01000
   64    54    60    75.00000  110.24000
   64    72    73    80.00000  122.90000
   64    72    77    75.00000  109.57000
   72    64    65    35.00000  119.80000
   72    77    78    75.00000  114.44000
   72    77    79    65.00000  123.79500
   77    72    73    80.00000  120.45000
   77    78    80    60.00000  121.09900
   77    78    89    60.00000  126.00000
   77    79    82   100.00000  109.52600
   78    80    81    35.00000  130.70000
   78    80    83    80.00000  111.29200
   78    89    88    70.00000  110.00000
   80    83    88   120.00000   89.04400
   83    80    81    40.00000  122.38200
   83    88    89    80.00000  114.57700
   83    88    90    70.00000  122.29500
   88    90    91    35.00000  113.50000
   88    90    92    35.00000  113.50000
   89    78    80    70.00000  111.00000
   90    88    89    75.00000  125.31200
   92    90    91    35.00000  109.00000
   79    77    78    65.00000  124.33800
   79    82    84   110.00000  106.71400
   82    84    85    35.00000  109.50000
   82    84    86    35.00000  109.50000
   82    84    87    35.00000  109.50000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    62    58.35000  112.70000
   40    44    47    75.00000  113.01200
   40    44    74    75.00000  113.01200
   40    44    50    75.00000  113.01200
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    47    48    35.00000  109.50000
   44    47    49    35.00000  109.50000
   44    47    57    80.00000  111.20000
   44    74    66    80.00000  111.20000
   44    74    75    35.00000  109.50000
   44    74    76    35.00000  109.50000
   44    50    51    35.00000  109.50000
   44    50    52    35.00000  109.50000
   44    50    53    35.00000  109.50000
   47    57    58    37.50000  110.70000
   47    57    59    37.50000  110.70000
   47    57    66    58.35000  112.70000
   49    47    48    33.00000  107.80000
   57    47    48    37.50000  110.70000
   57    47    49    37.50000  110.70000
   57    66    67    37.50000  110.70000
   57    66    68    37.50000  110.70000
   57    66    74    58.35000  112.70000
   59    57    58    33.00000  107.80000
   66    57    58    37.50000  110.70000
   66    57    59    37.50000  110.70000
   66    74    75    37.50000  110.70000
   66    74    76    37.50000  110.70000
   68    66    67    33.00000  107.80000
   74    44    47    75.00000  113.01200
   74    66    67    37.50000  110.70000
   74    66    68    37.50000  110.70000
   76    74    75    33.00000  107.80000
   50    44    47    75.00000  113.01200
   50    44    74    75.00000  113.01200
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    62   0.01700  1.0 1.0
   24    29    33    62  -0.23550 -1.0 2.0
   24    29    33    62   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    62    56   0.71400  1.0 1.0
   29    33    62    56   0.04300 -1.0 2.0
   29    33    62    56   0.01450  1.0 3.0
   29    33    62    63   0.15000  1.0 3.0
   29    33    62    69  -2.17200  1.0 1.0
   29    33    62    69  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    43    45  -0.25000 -1.0 2.0
   33    37    43    45  -0.01800  1.0 3.0
   33    62    69    70   0.00000  1.0 1.0
   33    62    69    71   0.00000  1.0 1.0
   33    40    44    47   0.47100  1.0 1.0
   33    40    44    74   0.47100  1.0 1.0
   33    40    44    50   0.47100  1.0 1.0
   37    33    62    56   0.42250  1.0 1.0
   37    33    62    56  -0.48100 -1.0 2.0
   37    33    62    56   0.35650  1.0 3.0
   37    33    62    63   0.15000  1.0 3.0
   37    33    62    69  -0.84850  1.0 1.0
   37    33    62    69  -0.22800 -1.0 2.0
   37    33    62    69   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    44   1.36600  1.0 1.0
   37    33    40    44  -0.11450 -1.0 2.0
   37    33    40    44   0.24250  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    54   0.25150  1.0 1.0
   37    43    45    54  -1.17200 -1.0 2.0
   37    43    45    54   0.53050  1.0 3.0
   37    43   -45    56   0.01700  1.0 1.0
   37    43   -45    56  -0.23550 -1.0 2.0
   37    43   -45    56   0.21350  1.0 3.0
   38    37    43    45   0.32350  1.0 3.0
   39    37    43    45   0.32350  1.0 3.0
   43    45    54    55   0.00000  1.0 1.0
   43    45    54    60   0.00000  1.0 1.0
   43    45    54    64   0.00000  1.0 1.0
   43    45   -56    60   0.00000  1.0 1.0
   43    45    56    62   0.00000  1.0 1.0
   45    54    60    61  -0.11250  1.0 1.0
   45    54    60    61   0.11400 -1.0 2.0
   45    54    60    61  -0.28950  1.0 3.0
   45    54   -60    56   3.00000 -1.0 2.0
   45    54    64    65   0.00000  1.0 1.0
   45    54    64    72  -0.43950  1.0 1.0
   45    54    64    72  -0.08100 -1.0 2.0
   45    54    64    72   0.03350  1.0 3.0
   45    56   -62    33   0.00000  1.0 1.0
   45    56    62    63   0.00000  1.0 1.0
   45    56    62    69   0.00000  1.0 1.0
   46    45    54    55   0.15000  1.0 3.0
   46    45    54    60   0.15000  1.0 3.0
   46    45    54    64   0.15000  1.0 3.0
   46    45   -56    60   0.00000  1.0 1.0
   46    45    56    62   0.00000  1.0 1.0
   54    45   -56    60   0.00000  1.0 1.0
   54    45    56    62   0.00000  1.0 1.0
   54    60   -56    45   3.00000 -1.0 2.0
   54    60   -56    62   3.00000 -1.0 2.0
   54    64    72    73   3.04450 -1.0 2.0
   54    64    72    77   1.49850  1.0 1.0
   54    64    72    77   1.53950 -1.0 2.0
   55    54    60    61   0.00000  1.0 1.0
   55    54    60    56   0.00000  1.0 1.0
   55    54    64    65   0.00000  1.0 1.0
   55    54    64    72   0.00000  1.0 1.0
   60    54    64    65   0.00000  1.0 1.0
   60    54    64    72  -0.42300  1.0 1.0
   60    54    64    72  -0.07000 -1.0 2.0
   60    54    64    72   0.04150  1.0 3.0
   60    56    62    33   0.00000  1.0 1.0
   60    56    62    63   0.00000  1.0 1.0
   60    56    62    69   0.00000  1.0 1.0
   61    60   -56    45   3.00000 -1.0 2.0
   61    60    56    62   3.00000 -1.0 2.0
   56    45   -54    55   0.15000  1.0 3.0
   56    45   -54    60   3.00000 -1.0 2.0
   56    45    54    64   2.20050  1.0 1.0
   56    45    54    64   0.63450 -1.0 2.0
   56    45    54    64  -0.91300  1.0 3.0
   56    62    69    70   0.00000  1.0 1.0
   56    62    69    71   0.00000  1.0 1.0
   62    33    37    38   0.15000  1.0 3.0
   62    33    37    39   0.15000  1.0 3.0
   62    33   -37    43   0.44750  1.0 1.0
   62    33   -37    43  -0.17800 -1.0 2.0
   62    33   -37    43   0.20200  1.0 3.0
   62    33    40    41   0.15000  1.0 3.0
   62    33    40    42   0.15000  1.0 3.0
   62    33    40    44   1.36600  1.0 1.0
   62    33    40    44  -0.11450 -1.0 2.0
   62    33    40    44   0.24250  1.0 3.0
   63    62    69    70   0.00000  1.0 1.0
   63    62    69    71   0.00000  1.0 1.0
   64    54    60    61   0.30150 -1.0 2.0
   64    54   -60    56   0.00000  1.0 1.0
   64    72    77    78   1.50000 -1.0 2.0
   64    72    77    79   1.50000 -1.0 2.0
   65    64    72    73   2.45000 -1.0 2.0
   65    64    72    77   2.56700 -1.0 2.0
   72    77    78    80   0.30050 -1.0 2.0
   72    77    78    80   0.16600  1.0 3.0
   72    77    78    89   0.30050 -1.0 2.0
   72    77    78    89   0.16600  1.0 3.0
   72    77    79    82   6.00000 -1.0 2.0
   73    72    77    78   1.00000 -1.0 2.0
   73    72    77    79   1.00000 -1.0 2.0
   77    78    80    81   3.62500 -1.0 2.0
   77    78    80    83   3.62500 -1.0 2.0
   77    78    89    88   3.62500 -1.0 2.0
   77    79    82    84   1.50000 -1.0 2.0
   78    77    79    82   6.00000 -1.0 2.0
   78    80   -83    88   3.62500 -1.0 2.0
   80    78   -89    88   2.40000 -1.0 2.0
   80    83   -88    89   3.62500 -1.0 2.0
   80    83    88    90   3.62500 -1.0 2.0
   81    80    83    88   3.62500 -1.0 2.0
   83    88   -89    78   3.62500 -1.0 2.0
   83    88    90    91   0.47600 -1.0 2.0
   83    88    90    92   0.47600 -1.0 2.0
   89    78    80    81   3.62500 -1.0 2.0
   89    78   -80    83   3.62500 -1.0 2.0
   89    88    90    91   1.75000 -1.0 2.0
   89    88    90    92   1.75000 -1.0 2.0
   90    88    89    78   3.62500 -1.0 2.0
   79    77    78    80   1.02250 -1.0 2.0
   79    77    78    89   1.02250 -1.0 2.0
   79    82    84    85   0.37500  1.0 3.0
   79    82    84    86   0.37500  1.0 3.0
   79    82    84    87   0.37500  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.44750  1.0 1.0
   40    33    37    43  -0.17800 -1.0 2.0
   40    33    37    43   0.20200  1.0 3.0
   40    33    62    56   0.42250  1.0 1.0
   40    33    62    56  -0.48100 -1.0 2.0
   40    33    62    56   0.35650  1.0 3.0
   40    33    62    63   0.15000  1.0 3.0
   40    33    62    69  -0.84850  1.0 1.0
   40    33    62    69  -0.22800 -1.0 2.0
   40    33    62    69   0.29250  1.0 3.0
   40    44    47    48   0.15000  1.0 3.0
   40    44    47    49   0.15000  1.0 3.0
   40    44    47    57   0.47100  1.0 1.0
   40    44    74    66   0.47100  1.0 1.0
   40    44    74    75   0.15000  1.0 3.0
   40    44    74    76   0.15000  1.0 3.0
   40    44    50    51   0.15000  1.0 3.0
   40    44    50    52   0.15000  1.0 3.0
   40    44    50    53   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   41    40    44    74   0.15000  1.0 3.0
   41    40    44    50   0.15000  1.0 3.0
   42    40    44    47   0.15000  1.0 3.0
   42    40    44    74   0.15000  1.0 3.0
   42    40    44    50   0.15000  1.0 3.0
   44    47    57    58   0.19200  1.0 3.0
   44    47    57    59   0.19200  1.0 3.0
   44    47   -57    66   1.36600  1.0 1.0
   44    47   -57    66  -0.11450 -1.0 2.0
   44    47   -57    66   0.24250  1.0 3.0
   47    44   -74    66   0.47100  1.0 1.0
   47    44    74    75   0.15000  1.0 3.0
   47    44    74    76   0.15000  1.0 3.0
   47    44    50    51   0.15000  1.0 3.0
   47    44    50    52   0.15000  1.0 3.0
   47    44    50    53   0.15000  1.0 3.0
   47    57    66    67   0.15000  1.0 3.0
   47    57    66    68   0.15000  1.0 3.0
   47    57   -66    74   0.56750  1.0 1.0
   47    57   -66    74  -0.07550 -1.0 2.0
   47    57   -66    74   0.20000  1.0 3.0
   48    47    57    58   0.15000  1.0 3.0
   48    47    57    59   0.15000  1.0 3.0
   48    47    57    66   0.15000  1.0 3.0
   49    47    57    58   0.15000  1.0 3.0
   49    47    57    59   0.15000  1.0 3.0
   49    47    57    66   0.15000  1.0 3.0
   57    66   -74    44   1.36600  1.0 1.0
   57    66   -74    44  -0.11450 -1.0 2.0
   57    66   -74    44   0.24250  1.0 3.0
   57    66    74    75   0.15000  1.0 3.0
   57    66    74    76   0.15000  1.0 3.0
   58    57    66    67   0.15000  1.0 3.0
   58    57    66    68   0.15000  1.0 3.0
   58    57    66    74   0.15000  1.0 3.0
   59    57    66    67   0.15000  1.0 3.0
   59    57    66    68   0.15000  1.0 3.0
   59    57    66    74   0.15000  1.0 3.0
   67    66    74    44   0.19200  1.0 3.0
   67    66    74    75   0.15000  1.0 3.0
   67    66    74    76   0.15000  1.0 3.0
   68    66    74    44   0.19200  1.0 3.0
   68    66    74    75   0.15000  1.0 3.0
   68    66    74    76   0.15000  1.0 3.0
   74    44    47    48   0.15000  1.0 3.0
   74    44    47    49   0.15000  1.0 3.0
   74    44   -47    57   0.47100  1.0 1.0
   74    44    50    51   0.15000  1.0 3.0
   74    44    50    52   0.15000  1.0 3.0
   74    44    50    53   0.15000  1.0 3.0
   50    44    47    48   0.15000  1.0 3.0
   50    44    47    49   0.15000  1.0 3.0
   50    44    47    57   0.47100  1.0 1.0
   50    44    74    66   0.47100  1.0 1.0
   50    44    74    75   0.15000  1.0 3.0
   50    44    74    76   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   54    56    60    61  10.50000 -1.0 2.0
   62    60    56    45   1.00000 -1.0 2.0
   70    62    69    71  10.50000 -1.0 2.0
   65    72    64    54   1.00000 -1.0 2.0
   64    77    72    73  10.50000 -1.0 2.0
   72    78    77    79  10.50000 -1.0 2.0
   80    89    78    77   4.00000 -1.0 2.0
   83    81    80    78   1.10000 -1.0 2.0
   89    90    88    83   4.00000 -1.0 2.0
   92    88    90    91   1.00000 -1.0 2.0
END
