* LIGAND DATABASE FILE (OPLS2005)
*
001      87    87    162    236     473
    1     0 S   NP   _N1_     1    28.73397    95.59135   -20.69710
    2     1 S   H    _HN1     2     1.02958    87.13752    33.86672
    3     1 S   H    _H1_     3     1.02842    37.75929   156.85620
    4     1 S   H    _H2_     4     1.02783    84.80226   -74.80874
    5     1 S   CT   _CA1     5     1.50099   148.49318   159.87719
    6     5 S   HC   _HA1     6     1.09568   105.29090    57.26998
    7     5 S   CO3  _C1_     7     1.53801   112.29261   -63.11142
    8     7 S   O2Z  _O11     8     1.26368   115.03118   -46.37007
    9     7 S   O2Z  _O12     9     1.26224   114.93349   132.99069
   10     5 S   CT   _CB1    10     1.53104   107.46007   175.27665
   11    10 S   HC   HB11    11     1.09821   109.47859   -49.89836
   12    10 S   HC   HB12    12     1.09825   110.37737    66.68278
   13    10 S   CT   _CG1    13     1.53017   112.63571  -170.97348
   14    13 S   HC   HG11    14     1.09493   110.50347   -59.76557
   15    13 S   HC   HG12    15     1.09637   110.06145    59.32644
   16    13 S   C    _CD1    16     1.51790   112.16292   179.48871
   17    16 S   O    _OE1    17     1.22736   123.15795    -9.91606
   18    16 S   N    _N2_    18     1.38617   111.76219   170.82313
   19    18 S   H    _HN2    19     1.01595   119.07960     0.52823
   20    18 S   CT1  _CA2    20     1.46170   123.29216   179.28564
   21    20 S   HC   _HA2    21     1.09737   109.33904   -11.63611
   22    20 S   C    _C2_    22     1.53470   108.26468  -127.18496
   23    22 S   O    _O2_    23     1.23017   122.22736  -145.59717
   24    20 S   CT   _CB2    32     1.53435   111.78011   110.49728
   25    24 S   HC   HB21    33     1.09474   109.85429    55.88233
   26    24 S   HC   HB22    34     1.09519   109.92297   174.63232
   27    22 S   N    _N3_    24     1.38501   113.38603    41.71751
   28    27 S   H    _HN3    25     1.01522   118.93813    -0.60296
   29    24 S   S    _SG2    35     1.82906   111.98170   -65.61602
   30    27 S   CT   _CA3    26     1.45460   123.49130   175.12601
   31    30 S   HC   HA31    27     1.09519   109.30029    23.09185
   32    30 S   HC   HA32    28     1.09496   107.10239   140.11500
   33    29 S   CT   _C14    36     1.84960    99.70701  -174.66729
   34    33 S   HC   _H7_    37     1.09725   106.11021    40.11956
   35    30 S   CO3  _C3_    29     1.52926   113.08694  -100.42548
   36    35 S   O2Z  _O31    30     1.26403   115.39824   -44.14050
   37    35 S   O2Z  _O32    31     1.26353   114.98347   136.77962
   38    33 S   CT   _C13    38     1.54770   108.33073   155.41745
   39    38 S   HC   _H6_    39     1.10106   107.70371   -34.98466
   40    38 S   CT   _C12    40     1.53391   114.53436    84.48001
   41    40 S   HC   _H19    41     1.09793   110.23366   168.46920
   42    40 S   HC   _H20    42     1.09779   108.00956   -76.75341
   43    38 S   CO4  _C15    78     1.52634   112.45290  -148.59000
   44    43 S   O    _O34    79     1.22275   125.21481   -36.74484
   45    40 S   CT   _C11    43     1.52928   115.05848    43.94769
   46    45 S   HC   _H5_    44     1.09634   109.19489  -172.99705
   47    43 S   OS   _O35    80     1.36602   109.52045   145.24506
   48    45 S   CT   _C10    45     1.53556   113.10193   -49.66192
   49    48 S   HC   _H4_    46     1.09836   107.29555   169.92799
   50    45 S   NP   _N4_    74     1.49323   109.56215    72.58034
   51    50 S   H    _H26    75     1.02868   111.96996    52.35165
   52    50 S   H    _H27    76     1.03229   112.08141   -68.60221
   53    50 S   H    _H28    77     1.02901   111.22866   172.04806
   54    47 S   CT   _C16    81     1.43534   115.56236   179.13385
   55    54 S   HC   _H21    82     1.09552   109.49069   -60.28947
   56    54 S   HC   _H22    83     1.09550   109.51247    60.00749
   57    33 S   CT   _C9_    47     1.54823   110.47504   -77.62016
   58    57 S   HC   _H3_    48     1.09536   109.24322    41.52131
   59    48 S   N    _N5_    66     1.46251   110.89793   -75.00397
   60    59 S   H    _H29    67     1.01598   118.57117    36.30963
   61    54 S   CT   _C17    84     1.51557   108.23172   179.88465
   62    61 S   HC   _H23    85     1.09503   110.60956   -59.13330
   63    61 S   HC   _H24    86     1.09505   110.60539    59.10087
   64    61 S   HC   _H25    87     1.09354   110.91200   180.00000
   65    57 S   OS   _O33    49     1.43779   107.25371   158.44667
   66    59 S   C    _C18    68     1.38428   122.45369  -149.93776
   67    66 S   O    _O36    69     1.22820   125.12925     2.27193
   68    65 S   CT   _C6_    50     1.43524   114.79868  -143.39051
   69    68 S   HC   _H13    51     1.09759   109.58762   -35.84471
   70    66 S   CT   _C19    70     1.50436   112.91684  -179.14316
   71    70 S   HC   _H30    71     1.09343   109.31936   151.03138
   72    70 S   HC   _H31    72     1.09311   109.18430   -89.23224
   73    70 S   HC   _H32    73     1.09356   111.17611    31.36439
   74    68 S   CT   _C5_    52     1.53566   106.26487  -152.19669
   75    74 S   HC   _H11    53     1.09789   108.32058    57.65588
   76    74 S   HC   _H12    54     1.09651   110.58904   -56.83075
   77    68 S   CT   _C7_    59     1.53921   109.83584    83.73878
   78    77 S   HC   _H14    60     1.09541   110.16191  -177.90417
   79    77 S   HC   _H15    61     1.09613   109.24108   -61.54794
   80    74 S   CT   _C4_    55     1.51940   113.95000   178.72651
   81    80 S   HC   _H8_    56     1.09380   111.53995    67.07628
   82    80 S   HC   _H9_    57     1.09478   110.04125  -173.66073
   83    80 S   HC   _H10    58     1.09449   111.04647   -54.14299
   84    77 S   CT   _C8_    62     1.52355   114.22475    58.56805
   85    84 S   HC   _H16    63     1.09420   111.46316   -56.77708
   86    84 S   HC   _H17    64     1.09372   111.49478    64.66317
   87    84 S   HC   _H18    65     1.09491   109.89738  -176.19183
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   8   2   1   1  15   8  15   6   5   8   2  13   8   7  14
   7   5   2   1   1   6   5   4   9   3   8   3   3   2   1   1
  10   5   4  15   8   3   2   1   1  10   6   5   7   5   4   3
   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    57    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    57    58    65    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    45    48    49    57    58    65    68    59    43    44    47  
   38    39    40    48    57    58    65    43  
   36    37  
   37  
    0  
   39    40    41    42    45    46    48    57    58    65    50    43    44    47    54  
   40    41    42    45    57    43    44    47  
   41    42    45    46    48    49    57    59    50    51    52    53    43    44    47  
   42    45    46    48    50    43  
   45    46    48    50    43  
   44    47    54    55    56    61    45    57  
   47    54  
   46    48    49    57    58    65    59    60    66    50    51    52    53  
   48    49    57    59    50    51    52    53  
   54    55    56    61    62    63    64  
   49    57    58    65    68    59    60    66    67    70    50    51    52    53  
   57    58    65    59    60    66    50  
   51    52    53    57    59  
   52    53  
   53  
    0  
   55    56    61    62    63    64  
   56    61    62    63    64  
   61    62    63    64  
   58    65    68    69    74    77    59    60    66  
   65    68    59  
   60    66    67    70    71    72    73    65  
   66    67    70  
   62    63    64  
   63    64  
   64  
    0  
   68    69    74    75    76    80    77    78    79    84  
   67    70    71    72    73  
   70    71    72    73  
   69    74    75    76    80    81    82    83    77    78    79    84    85    86    87  
   74    75    76    80    77    78    79    84  
   71    72    73  
   72    73  
   73  
    0  
   75    76    80    81    82    83    77    78    79    84  
   76    80    81    82    83    77  
   80    81    82    83    77  
   78    79    84    85    86    87    80  
   79    84    85    86    87  
   84    85    86    87  
   81    82    83  
   82    83  
   83  
    0  
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   47   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   51   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   52   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   53   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   59   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   60   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   68   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   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
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    57   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    43   317.000  1.522
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   268.000  1.529
   45    46   340.000  1.090
   45    48   268.000  1.529
   45    50   367.000  1.471
   48    49   340.000  1.090
   48    57   268.000  1.529
   48    59   337.000  1.449
   57    58   340.000  1.090
   57    65   320.000  1.410
   65    68   320.000  1.410
   68    69   340.000  1.090
   68    74   268.000  1.529
   68    77   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   59    60   434.000  1.010
   59    66   490.000  1.335
   66    67   570.000  1.229
   66    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   50    51   434.000  1.010
   50    52   434.000  1.010
   50    53   434.000  1.010
   43    44   570.000  1.229
   43    47   214.000  1.327
   47    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   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    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    57    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    43    63.00000  111.10000
   33    57    48    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    65    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    42    37.50000  110.70000
   38    40    45    58.35000  112.70000
   38    43    44    80.00000  120.40000
   38    43    47    81.00000  111.40000
   40    38    39    37.50000  110.70000
   40    45    46    37.50000  110.70000
   40    45    48    58.35000  112.70000
   40    45    50    80.00000  111.20000
   42    40    41    33.00000  107.80000
   45    40    41    37.50000  110.70000
   45    40    42    37.50000  110.70000
   45    48    49    37.50000  110.70000
   45    48    57    58.35000  112.70000
   45    48    59    70.00000  110.72300
   45    50    51    35.00000  109.50000
   45    50    52    35.00000  109.50000
   45    50    53    35.00000  109.50000
   48    45    46    37.50000  110.70000
   48    57    58    37.50000  110.70000
   48    57    65    50.00000  109.50000
   48    59    60    38.00000  118.40000
   48    59    66    50.00000  121.90000
   57    33    34    37.50000  110.70000
   57    33    38    58.35000  112.70000
   57    48    49    37.50000  110.70000
   57    65    68    60.00000  109.50000
   65    57    58    35.00000  109.50000
   65    68    69    35.00000  109.50000
   65    68    74    50.00000  109.50000
   65    68    77    50.00000  109.50000
   68    74    75    37.50000  110.70000
   68    74    76    37.50000  110.70000
   68    74    80    58.35000  112.70000
   68    77    78    37.50000  110.70000
   68    77    79    37.50000  110.70000
   68    77    84    58.35000  112.70000
   74    68    69    37.50000  110.70000
   74    80    81    37.50000  110.70000
   74    80    82    37.50000  110.70000
   74    80    83    37.50000  110.70000
   76    74    75    33.00000  107.80000
   80    74    75    37.50000  110.70000
   80    74    76    37.50000  110.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   77    68    69    37.50000  110.70000
   77    68    74    58.35000  112.70000
   77    84    85    37.50000  110.70000
   77    84    86    37.50000  110.70000
   77    84    87    37.50000  110.70000
   79    77    78    33.00000  107.80000
   84    77    78    37.50000  110.70000
   84    77    79    37.50000  110.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   59    48    49    35.00000  109.50000
   59    48    57    70.00000  110.72300
   59    66    67    80.00000  122.90000
   59    66    70    70.00000  116.60000
   66    59    60    35.00000  119.80000
   66    70    71    35.00000  109.50000
   66    70    72    35.00000  109.50000
   66    70    73    35.00000  109.50000
   70    66    67    80.00000  120.40000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    48    80.00000  111.20000
   52    50    51    35.00000  109.50000
   53    50    51    35.00000  109.50000
   53    50    52    35.00000  109.50000
   43    38    39    35.00000  109.50000
   43    38    40    63.00000  111.10000
   43    47    54    83.00000  116.90000
   47    43    44    83.00000  123.40000
   47    54    55    35.00000  109.50000
   47    54    56    35.00000  109.50000
   47    54    61    50.00000  109.50000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    64    37.50000  110.70000
   56    54    55    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    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   0.32350  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    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   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    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    57    48   0.44750  1.0 1.0
   29    33    57    48  -0.17800 -1.0 2.0
   29    33    57    48   0.20200  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    65   0.56750  1.0 1.0
   29    33    57    65  -0.07550 -1.0 2.0
   29    33    57    65   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    42   0.15000  1.0 3.0
   33    38    40    45   0.56750  1.0 1.0
   33    38    40    45  -0.07550 -1.0 2.0
   33    38    40    45   0.20000  1.0 3.0
   33    38    43    44   0.30150 -1.0 2.0
   33    38    43    47   0.36750  1.0 3.0
   33    57    65    68   0.06250  1.0 1.0
   33    57    65    68  -0.01100 -1.0 2.0
   33    57    65    68   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    43  -0.11250  1.0 3.0
   34    33    57    48   0.15000  1.0 3.0
   34    33    57    58   0.15000  1.0 3.0
   34    33    57    65   0.23400  1.0 3.0
   38    33    57    48   0.56750  1.0 1.0
   38    33    57    48  -0.07550 -1.0 2.0
   38    33    57    48   0.20000  1.0 3.0
   38    33    57    58   0.15000  1.0 3.0
   38    33    57    65   0.62750  1.0 1.0
   38    33    57    65  -0.30950 -1.0 2.0
   38    33    57    65   0.27300  1.0 3.0
   38    40    45    46   0.15000  1.0 3.0
   38    40   -45    48   0.56750  1.0 1.0
   38    40   -45    48  -0.07550 -1.0 2.0
   38    40   -45    48   0.20000  1.0 3.0
   38    40    45    50   1.36600  1.0 1.0
   38    40    45    50  -0.11450 -1.0 2.0
   38    40    45    50   0.24250  1.0 3.0
   38    43    47    54   1.63150  1.0 1.0
   38    43    47    54   2.92000 -1.0 2.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    42   0.15000  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    47   0.00000  1.0 1.0
   40    38    43    44   0.30150 -1.0 2.0
   40    38    43    47   0.36750  1.0 3.0
   40    45    48    49   0.15000  1.0 3.0
   40    45    48    57   0.56750  1.0 1.0
   40    45    48    57  -0.07550 -1.0 2.0
   40    45    48    57   0.20000  1.0 3.0
   40    45    48    59  -0.27100  1.0 1.0
   40    45    48    59  -0.01700 -1.0 2.0
   40    45    48    59  -0.48600  1.0 3.0
   40    45    50    51   0.17350  1.0 3.0
   40    45    50    52   0.17350  1.0 3.0
   40    45    50    53   0.17350  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    48   0.15000  1.0 3.0
   41    40    45    50   0.19200  1.0 3.0
   42    40    45    46   0.15000  1.0 3.0
   42    40    45    48   0.15000  1.0 3.0
   42    40    45    50   0.19200  1.0 3.0
   45    48   -57    33   0.56750  1.0 1.0
   45    48   -57    33  -0.07550 -1.0 2.0
   45    48   -57    33   0.20000  1.0 3.0
   45    48    57    58   0.15000  1.0 3.0
   45    48    57    65   0.62750  1.0 1.0
   45    48    57    65  -0.30950 -1.0 2.0
   45    48    57    65   0.27300  1.0 3.0
   45    48    59    60   0.00000  1.0 1.0
   45    48    59    66  -0.43950  1.0 1.0
   45    48    59    66  -0.08100 -1.0 2.0
   45    48    59    66   0.03350  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    57   0.15000  1.0 3.0
   46    45    48    59   0.15000  1.0 3.0
   46    45    50    51   0.13050  1.0 3.0
   46    45    50    52   0.13050  1.0 3.0
   46    45    50    53   0.13050  1.0 3.0
   48    45    50    51   0.17350  1.0 3.0
   48    45    50    52   0.17350  1.0 3.0
   48    45    50    53   0.17350  1.0 3.0
   48    57    65    68   0.06250  1.0 1.0
   48    57    65    68  -0.01100 -1.0 2.0
   48    57    65    68   0.28050  1.0 3.0
   48    59    66    67   3.04450 -1.0 2.0
   48    59    66    70   1.49850  1.0 1.0
   48    59    66    70   1.53950 -1.0 2.0
   49    48    57    33   0.15000  1.0 3.0
   49    48    57    58   0.15000  1.0 3.0
   49    48    57    65   0.23400  1.0 3.0
   49    48    59    60   0.00000  1.0 1.0
   49    48    59    66   0.00000  1.0 1.0
   57    33    38    39   0.15000  1.0 3.0
   57    33   -38    40   0.56750  1.0 1.0
   57    33   -38    40  -0.07550 -1.0 2.0
   57    33   -38    40   0.20000  1.0 3.0
   57    33    38    43  -0.95700  1.0 1.0
   57    33    38    43  -0.18200 -1.0 2.0
   57    33    38    43   0.29450  1.0 3.0
   57    48    59    60   0.00000  1.0 1.0
   57    48    59    66  -0.43950  1.0 1.0
   57    48    59    66  -0.08100 -1.0 2.0
   57    48    59    66   0.03350  1.0 3.0
   57    65    68    69   0.37050  1.0 3.0
   57    65    68    74   0.06250  1.0 1.0
   57    65    68    74  -0.01100 -1.0 2.0
   57    65    68    74   0.28050  1.0 3.0
   57    65    68    77   0.06250  1.0 1.0
   57    65    68    77  -0.01100 -1.0 2.0
   57    65    68    77   0.28050  1.0 3.0
   58    57    65    68   0.37050  1.0 3.0
   65    68    74    75   0.23400  1.0 3.0
   65    68    74    76   0.23400  1.0 3.0
   65    68    74    80   0.62750  1.0 1.0
   65    68    74    80  -0.30950 -1.0 2.0
   65    68    74    80   0.27300  1.0 3.0
   65    68    77    78   0.23400  1.0 3.0
   65    68    77    79   0.23400  1.0 3.0
   65    68    77    84   0.62750  1.0 1.0
   65    68    77    84  -0.30950 -1.0 2.0
   65    68    77    84   0.27300  1.0 3.0
   68    74    80    81   0.15000  1.0 3.0
   68    74    80    82   0.15000  1.0 3.0
   68    74    80    83   0.15000  1.0 3.0
   68    77    84    85   0.15000  1.0 3.0
   68    77    84    86   0.15000  1.0 3.0
   68    77    84    87   0.15000  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    76   0.15000  1.0 3.0
   69    68    74    80   0.15000  1.0 3.0
   69    68    77    78   0.15000  1.0 3.0
   69    68    77    79   0.15000  1.0 3.0
   69    68    77    84   0.15000  1.0 3.0
   74    68    77    78   0.15000  1.0 3.0
   74    68    77    79   0.15000  1.0 3.0
   74    68    77    84   0.56750  1.0 1.0
   74    68    77    84  -0.07550 -1.0 2.0
   74    68    77    84   0.20000  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   0.15000  1.0 3.0
   76    74    80    81   0.15000  1.0 3.0
   76    74    80    82   0.15000  1.0 3.0
   76    74    80    83   0.15000  1.0 3.0
   77    68    74    75   0.15000  1.0 3.0
   77    68    74    76   0.15000  1.0 3.0
   77    68    74    80   0.56750  1.0 1.0
   77    68    74    80  -0.07550 -1.0 2.0
   77    68    74    80   0.20000  1.0 3.0
   78    77    84    85   0.15000  1.0 3.0
   78    77    84    86   0.15000  1.0 3.0
   78    77    84    87   0.15000  1.0 3.0
   79    77    84    85   0.15000  1.0 3.0
   79    77    84    86   0.15000  1.0 3.0
   79    77    84    87   0.15000  1.0 3.0
   59    48    57    33  -0.27100  1.0 1.0
   59    48    57    33  -0.01700 -1.0 2.0
   59    48    57    33  -0.48600  1.0 3.0
   59    48    57    58   0.15000  1.0 3.0
   59    48    57    65   1.12100  1.0 1.0
   59    48    57    65  -0.16500 -1.0 2.0
   59    66    70    71   0.00000  1.0 1.0
   59    66    70    72   0.00000  1.0 1.0
   59    66    70    73   0.00000  1.0 1.0
   60    59    66    67   2.45000 -1.0 2.0
   60    59    66    70   2.45000 -1.0 2.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    72   0.00000  1.0 1.0
   67    66    70    73   0.00000  1.0 1.0
   50    45    48    49   0.19200  1.0 3.0
   50    45    48    57   1.36600  1.0 1.0
   50    45    48    57  -0.11450 -1.0 2.0
   50    45    48    57   0.24250  1.0 3.0
   50    45    48    59   3.05550  1.0 1.0
   50    45    48    59   2.44300 -1.0 2.0
   50    45    48    59   0.51100  1.0 3.0
   43    38    40    41  -0.11250  1.0 3.0
   43    38    40    42  -0.11250  1.0 3.0
   43    38    40    45  -0.95700  1.0 1.0
   43    38    40    45  -0.18200 -1.0 2.0
   43    38    40    45   0.29450  1.0 3.0
   43    47    54    55   0.08050  1.0 3.0
   43    47    54    56   0.08050  1.0 3.0
   43    47    54    61  -0.25900  1.0 1.0
   43    47    54    61  -0.47000 -1.0 2.0
   43    47    54    61   0.11750  1.0 3.0
   44    43    47    54   3.00000 -1.0 2.0
   47    54    61    62   0.23400  1.0 3.0
   47    54    61    63   0.23400  1.0 3.0
   47    54    61    64   0.23400  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    64   0.15000  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    63   0.15000  1.0 3.0
   56    54    61    64   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
   36    30    35    37  10.50000 -1.0 2.0
   60    66    59    48   1.00000 -1.0 2.0
   59    70    66    67  10.50000 -1.0 2.0
   38    47    43    44  10.50000 -1.0 2.0
END
