* LIGAND DATABASE FILE (OPLS2005)
*
001      83    83    146    203     423
    1     0 S   NP   _N1_     1    31.66264    93.11878   -14.89121
    2     1 S   H    _HN1     2     1.03238   130.37014   137.09122
    3     1 S   H    _H1_     3     1.02829    34.78602    81.18338
    4     1 S   H    _H2_     4     1.03464   114.17455    -4.84400
    5     1 S   CT   _CA1     5     1.50436    77.47403  -114.42689
    6     5 S   HC   _HA1     6     1.09702   104.61321    51.06234
    7     5 S   CO3  _C1_     7     1.54319   111.15958   -64.66491
    8     7 S   O2Z  _O11     8     1.26613   113.86169    64.71132
    9     7 S   O2Z  _O12     9     1.26055   116.78317  -114.66622
   10     5 S   CT   _CB1    10     1.52896   106.77064   166.30836
   11    10 S   HC   HB11    11     1.09849   109.12005   -49.35200
   12    10 S   HC   HB12    12     1.09499   109.89243    66.41989
   13    10 S   CT   _CG1    13     1.53276   113.76794  -170.49709
   14    13 S   HC   HG11    14     1.09441   111.83854   -70.09347
   15    13 S   HC   HG12    15     1.09589   110.51340    49.74057
   16    13 S   C    _CD1    16     1.51545   110.05253   169.10391
   17    16 S   O    _OE1    17     1.22851   121.70217  -108.93771
   18    16 S   N    _N2_    18     1.38511   112.92558    69.24199
   19    18 S   H    _HN2    19     1.01664   119.20223     5.87216
   20    18 S   CT1  _CA2    20     1.46302   123.11889  -168.61443
   21    20 S   HC   _HA2    21     1.09721   109.20543    -7.96171
   22    20 S   C    _C2_    22     1.53184   109.60675  -124.36652
   23    22 S   O    _O2_    23     1.23073   122.11795  -151.71273
   24    20 S   CT   _CB2    32     1.53891   110.83562   113.14325
   25    24 S   HC   HB21    33     1.09145   108.71851    63.82991
   26    24 S   HC   HB22    34     1.09491   110.70942  -177.80724
   27    22 S   N    _N3_    24     1.38306   113.78670    35.95125
   28    27 S   H    _HN3    25     1.01665   119.50120    -4.33544
   29    24 S   S    _SG2    35     1.82586   110.70943   -57.52952
   30    27 S   CT   _CA3    26     1.45298   122.86082   176.68548
   31    30 S   HC   HA31    27     1.09562   107.60086   -61.02989
   32    30 S   HC   HA32    28     1.09566   107.80044    55.27730
   33    29 S   CT   _C7_    36     1.84373   102.17570   165.31915
   34    33 S   HC   _H6_    37     1.09727   105.93742    62.87178
   35    30 S   CO3  _C3_    29     1.52869   114.37052   177.20957
   36    35 S   O2Z  _O31    30     1.26324   116.10427    -0.77025
   37    35 S   O2Z  _O32    31     1.26449   114.38297   179.27557
   38    33 S   CT   _C6_    38     1.55290   107.32326   177.93484
   39    38 S   HC   _H5_    39     1.09512   109.95028   -55.87572
   40    38 S   CT   _C5_    40     1.54017   108.17912  -175.29085
   41    40 S   HC   _H4_    41     1.09716   108.94203    58.55016
   42    38 S   OS   _O41    78     1.43065   108.77213    63.23357
   43    40 S   CT   _C4_    42     1.53828   112.02334   -60.42651
   44    43 S   HC   _H3_    43     1.09689   108.59841   177.99465
   45    40 S   OS   _O45    72     1.42336   111.03121   176.71437
   46    42 S   P2   _P3_    79     1.62629   123.17717  -149.06937
   47    46 S   O2Z  _O44    80     1.51156   110.86211    24.77043
   48    46 S   O2Z  _O42    81     1.51453   108.12976   159.51487
   49    43 S   CT   _C9_    44     1.53683   110.23575    57.82788
   50    49 S   HC   _H8_    45     1.09512   107.85480  -173.87228
   51    43 S   OS   _O49    61     1.42214   109.49064   -62.69473
   52    45 S   P2   _P4_    73     1.63299   120.17733   -85.71495
   53    52 S   O2Z  _O48    74     1.51150   108.36156  -123.36595
   54    52 S   O2Z  _O46    75     1.51129   111.09808    12.02725
   55    46 S   OS   _O43    82     1.62793    99.50241   -89.09108
   56    55 S   HO   _H12    83     0.98106   116.71850    72.67532
   57    33 S   CT   _C8_    46     1.55370   114.88676   -56.83810
   58    57 S   HC   _H7_    47     1.09400   108.61537    65.51703
   59    49 S   OS   _O33    55     1.42883   107.74560    67.94675
   60    51 S   P1   _P5_    62     1.61068   121.50671  -121.78210
   61    60 S   O2Z  _O50    63     1.49890   115.46295   -75.07131
   62    52 S   OS   _O47    76     1.63023    97.87176   124.66758
   63    62 S   HO   _H13    77     0.98459   116.41917   -73.20772
   64    57 S   OS   _O37    48     1.42475   110.87301   -53.79077
   65    59 S   P2   _P1_    56     1.63001   118.71356   136.66915
   66    65 S   O2Z  _O36    57     1.51105   109.10636   -68.91103
   67    65 S   O2Z  _O34    58     1.51072   109.53497    66.21342
   68    60 S   OS   _O51    64     1.61603   104.21420    51.36059
   69    68 S   HO   _H14    65     0.97882   117.62217  -176.49412
   70    60 S   OS   _O52    66     1.60877   102.92381   157.76370
   71    64 S   P1   _P2_    49     1.61542   119.85234   150.15938
   72    71 S   O2Z  _O38    50     1.49769   116.80346    49.93101
   73    65 S   OS   _O35    59     1.63000    98.26630   179.10649
   74    73 S   HO   _H9_    60     0.97874   116.08445    80.08522
   75    70 S   P2   _P6_    67     1.62128   131.51593    71.08556
   76    75 S   O2Z  _O55    68     1.51070   108.79184   101.86959
   77    75 S   O2Z  _O53    69     1.51065   110.04770   -32.77598
   78    71 S   OS   _O39    51     1.61581   103.49513   -77.18206
   79    78 S   HO   _H10    52     0.97952   117.00735   178.43215
   80    71 S   OS   _O40    53     1.61211   102.77042   176.47963
   81    80 S   HO   _H11    54     0.98542   116.64032   -67.29793
   82    75 S   OS   _O54    70     1.63051    98.32843  -145.23457
   83    82 S   HO   _H15    71     0.98313   116.34402    72.08556
  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
  16   8   2   1   1  17   7  16   7   8  15   7   7   4   3   2
  12   6   8   4   3   2   1   1   8   3   6   8   4   1   1   6
   4   3   2   3   1   5   5   4   1   1   4   3   2   3   1   1
   1   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    49    57    58    64    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    50    57    58    64    71    59    45    42    46  
   38    39    40    49    57    58    64    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    57    58    64    51    45    52    42    46    47    48    55  
   40    41    43    57    45    42    46  
   41    43    44    49    50    57    59    51    60    45    52    53    54    62    42    46  
   43    44    49    51    45    52    42  
   46    47    48    55    56    43    45    57  
   44    49    50    57    58    64    59    65    51    60    61    68    70    45    52  
   49    50    57    59    51    60    45  
   52    53    54    62    63    49    51  
   47    48    55    56  
   48    55    56  
   55    56  
   50    57    58    64    71    59    65    66    67    73    51    60  
   57    58    64    59    65    51  
   60    61    68    69    70    75    57    59  
   53    54    62    63  
   54    62    63  
   62    63  
   56  
    0  
   58    64    71    72    78    80    59    65  
   64    71    59  
   65    66    67    73    74    64  
   61    68    69    70    75    76    77    82  
   68    69    70    75  
   63  
    0  
   71    72    78    79    80    81  
   66    67    73    74  
   67    73    74  
   73    74  
   69    70    75  
   70  
   75    76    77    82    83  
   72    78    79    80    81  
   78    79    80    81  
   74  
    0  
   76    77    82    83  
   77    82    83  
   82    83  
   79    80    81  
   80  
   81  
    0  
   83  
    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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   47   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   48   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   52   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   53   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   54   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   55   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   61   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   62   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   64   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   65   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   66   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   67   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   68   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   70   2.8500   0.1400  -0.500700   1.5900   1.4000   0.020110767  -0.896042159
   71   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   72   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   73   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.7400   0.2000   1.565000   2.1070   1.8700   0.005000000   0.000000000
   76   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   77   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   78   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   80   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   82   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.380000   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    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    42   320.000  1.410
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    45   320.000  1.410
   43    44   340.000  1.090
   43    49   268.000  1.529
   43    51   320.000  1.410
   49    50   340.000  1.090
   49    57   268.000  1.529
   49    59   320.000  1.410
   57    58   340.000  1.090
   57    64   320.000  1.410
   64    71   405.000  1.623
   71    72   675.000  1.490
   71    78   405.000  1.623
   71    80   405.000  1.623
   78    79   553.000  0.945
   80    81   553.000  0.945
   59    65   230.000  1.697
   65    66   525.000  1.480
   65    67   525.000  1.480
   65    73   230.000  1.697
   73    74   553.000  0.945
   51    60   405.000  1.623
   60    61   675.000  1.490
   60    68   405.000  1.623
   60    70   405.000  1.623
   68    69   553.000  0.945
   70    75   230.000  1.697
   75    76   525.000  1.480
   75    77   525.000  1.480
   75    82   230.000  1.697
   82    83   553.000  0.945
   45    52   230.000  1.697
   52    53   525.000  1.480
   52    54   525.000  1.480
   52    62   230.000  1.697
   62    63   553.000  0.945
   42    46   230.000  1.697
   46    47   525.000  1.480
   46    48   525.000  1.480
   46    55   230.000  1.697
   55    56   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    57    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    57    49    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    64    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    45    50.00000  109.50000
   38    42    46   100.00000  120.50000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    49    58.35000  112.70000
   40    43    51    50.00000  109.50000
   40    45    52   100.00000  120.50000
   43    40    41    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    57    58.35000  112.70000
   43    49    59    50.00000  109.50000
   43    51    60    75.00000  119.24600
   49    43    44    37.50000  110.70000
   49    57    58    37.50000  110.70000
   49    57    64    50.00000  109.50000
   49    59    65   100.00000  120.50000
   57    33    34    37.50000  110.70000
   57    33    38    58.35000  112.70000
   57    49    50    37.50000  110.70000
   57    64    71    75.00000  119.24600
   64    57    58    35.00000  109.50000
   64    71    72   100.00000  115.86100
   64    71    78   120.00000  102.38000
   64    71    80   120.00000  102.38000
   71    78    79    50.00000  113.86100
   71    80    81    50.00000  113.86100
   78    71    72   100.00000  115.86100
   80    71    72   100.00000  115.86100
   80    71    78   120.00000  102.38000
   59    49    50    35.00000  109.50000
   59    49    57    50.00000  109.50000
   59    65    66   100.00000  108.23000
   59    65    67   100.00000  108.23000
   59    65    73    45.00000  102.60000
   65    73    74    45.00000  108.50000
   67    65    66   140.00000  119.90000
   73    65    66   100.00000  108.23000
   73    65    67   100.00000  108.23000
   51    43    44    35.00000  109.50000
   51    43    49    50.00000  109.50000
   51    60    61   100.00000  115.86100
   51    60    68   120.00000  102.38000
   51    60    70   120.00000  102.38000
   60    68    69    50.00000  113.86100
   60    70    75    55.00000  126.09000
   68    60    61   100.00000  115.86100
   70    60    61   100.00000  115.86100
   70    60    68   120.00000  102.38000
   70    75    76   100.00000  108.23000
   70    75    77   100.00000  108.23000
   70    75    82    45.00000  102.60000
   75    82    83    45.00000  108.50000
   77    75    76   140.00000  119.90000
   82    75    76   100.00000  108.23000
   82    75    77   100.00000  108.23000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   45    52    53   100.00000  108.23000
   45    52    54   100.00000  108.23000
   45    52    62    45.00000  102.60000
   52    62    63    45.00000  108.50000
   54    52    53   140.00000  119.90000
   62    52    53   100.00000  108.23000
   62    52    54   100.00000  108.23000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    46    47   100.00000  108.23000
   42    46    48   100.00000  108.23000
   42    46    55    45.00000  102.60000
   46    55    56    45.00000  108.50000
   48    46    47   140.00000  119.90000
   55    46    47   100.00000  108.23000
   55    46    48   100.00000  108.23000
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    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    57    49   0.44750  1.0 1.0
   29    33    57    49  -0.17800 -1.0 2.0
   29    33    57    49   0.20200  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    64   0.56750  1.0 1.0
   29    33    57    64  -0.07550 -1.0 2.0
   29    33    57    64   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38    40    45   0.62750  1.0 1.0
   33    38    40    45  -0.30950 -1.0 2.0
   33    38    40    45   0.27300  1.0 3.0
   33    38    42    46  -2.65550  1.0 1.0
   33    38    42    46  -0.22350 -1.0 2.0
   33    38    42    46   0.24150  1.0 3.0
   33    57    64    71  -2.65550  1.0 1.0
   33    57    64    71  -0.22350 -1.0 2.0
   33    57    64    71   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    57    49   0.15000  1.0 3.0
   34    33    57    58   0.15000  1.0 3.0
   34    33    57    64   0.23400  1.0 3.0
   38    33    57    49   0.56750  1.0 1.0
   38    33    57    49  -0.07550 -1.0 2.0
   38    33    57    49   0.20000  1.0 3.0
   38    33    57    58   0.15000  1.0 3.0
   38    33    57    64   0.62750  1.0 1.0
   38    33    57    64  -0.30950 -1.0 2.0
   38    33    57    64   0.27300  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    49   0.56750  1.0 1.0
   38    40   -43    49  -0.07550 -1.0 2.0
   38    40   -43    49   0.20000  1.0 3.0
   38    40    43    51   0.62750  1.0 1.0
   38    40    43    51  -0.30950 -1.0 2.0
   38    40    43    51   0.27300  1.0 3.0
   38    40    45    52  -2.65550  1.0 1.0
   38    40    45    52  -0.22350 -1.0 2.0
   38    40    45    52   0.24150  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    55   0.05050  1.0 1.0
   38    42    46    55  -1.30700 -1.0 2.0
   38    42    46    55   0.91550  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    46   0.03000  1.0 3.0
   40    38    42    46  -2.65550  1.0 1.0
   40    38    42    46  -0.22350 -1.0 2.0
   40    38    42    46   0.24150  1.0 3.0
   40    43    49    50   0.15000  1.0 3.0
   40    43    49    57   0.56750  1.0 1.0
   40    43    49    57  -0.07550 -1.0 2.0
   40    43    49    57   0.20000  1.0 3.0
   40    43    49    59   0.62750  1.0 1.0
   40    43    49    59  -0.30950 -1.0 2.0
   40    43    49    59   0.27300  1.0 3.0
   40    43    51    60  -2.65550  1.0 1.0
   40    43    51    60  -0.22350 -1.0 2.0
   40    43    51    60   0.24150  1.0 3.0
   40    45    52    53   0.00000  1.0 1.0
   40    45    52    54   0.00000  1.0 1.0
   40    45    52    62   0.05050  1.0 1.0
   40    45    52    62  -1.30700 -1.0 2.0
   40    45    52    62   0.91550  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    49   0.15000  1.0 3.0
   41    40    43    51   0.23400  1.0 3.0
   41    40    45    52   0.03000  1.0 3.0
   43    40    45    52  -2.65550  1.0 1.0
   43    40    45    52  -0.22350 -1.0 2.0
   43    40    45    52   0.24150  1.0 3.0
   43    49   -57    33   0.56750  1.0 1.0
   43    49   -57    33  -0.07550 -1.0 2.0
   43    49   -57    33   0.20000  1.0 3.0
   43    49    57    58   0.15000  1.0 3.0
   43    49    57    64   0.62750  1.0 1.0
   43    49    57    64  -0.30950 -1.0 2.0
   43    49    57    64   0.27300  1.0 3.0
   43    49    59    65  -2.65550  1.0 1.0
   43    49    59    65  -0.22350 -1.0 2.0
   43    49    59    65   0.24150  1.0 3.0
   43    51    60    61   0.00000  1.0 1.0
   43    51    60    68   0.91800  1.0 1.0
   43    51    60    68   0.22900 -1.0 2.0
   43    51    60    68   0.32050  1.0 3.0
   43    51    60    70   0.91800  1.0 1.0
   43    51    60    70   0.22900 -1.0 2.0
   43    51    60    70   0.32050  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    57   0.15000  1.0 3.0
   44    43    49    59   0.23400  1.0 3.0
   44    43    51    60   0.03000  1.0 3.0
   49    43    51    60  -2.65550  1.0 1.0
   49    43    51    60  -0.22350 -1.0 2.0
   49    43    51    60   0.24150  1.0 3.0
   49    57    64    71  -2.65550  1.0 1.0
   49    57    64    71  -0.22350 -1.0 2.0
   49    57    64    71   0.24150  1.0 3.0
   49    59    65    66   0.00000  1.0 1.0
   49    59    65    67   0.00000  1.0 1.0
   49    59    65    73   0.05050  1.0 1.0
   49    59    65    73  -1.30700 -1.0 2.0
   49    59    65    73   0.91550  1.0 3.0
   50    49    57    33   0.15000  1.0 3.0
   50    49    57    58   0.15000  1.0 3.0
   50    49    57    64   0.23400  1.0 3.0
   50    49    59    65   0.03000  1.0 3.0
   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    42   0.62750  1.0 1.0
   57    33    38    42  -0.30950 -1.0 2.0
   57    33    38    42   0.27300  1.0 3.0
   57    49    59    65  -2.65550  1.0 1.0
   57    49    59    65  -0.22350 -1.0 2.0
   57    49    59    65   0.24150  1.0 3.0
   57    64    71    72   0.00000  1.0 1.0
   57    64    71    78   0.91800  1.0 1.0
   57    64    71    78   0.22900 -1.0 2.0
   57    64    71    78   0.32050  1.0 3.0
   57    64    71    80   0.91800  1.0 1.0
   57    64    71    80   0.22900 -1.0 2.0
   57    64    71    80   0.32050  1.0 3.0
   58    57    64    71   0.03000  1.0 3.0
   64    71    78    79  -0.22900  1.0 1.0
   64    71    78    79   0.09450 -1.0 2.0
   64    71    78    79  -0.07800  1.0 3.0
   64    71    80    81  -0.22900  1.0 1.0
   64    71    80    81   0.09450 -1.0 2.0
   64    71    80    81  -0.07800  1.0 3.0
   72    71    78    79   0.00000  1.0 1.0
   72    71    80    81   0.00000  1.0 1.0
   78    71    80    81  -0.22900  1.0 1.0
   78    71    80    81   0.09450 -1.0 2.0
   78    71    80    81  -0.07800  1.0 3.0
   80    71    78    79  -0.22900  1.0 1.0
   80    71    78    79   0.09450 -1.0 2.0
   80    71    78    79  -0.07800  1.0 3.0
   59    49    57    33   0.62750  1.0 1.0
   59    49    57    33  -0.30950 -1.0 2.0
   59    49    57    33   0.27300  1.0 3.0
   59    49    57    58   0.23400  1.0 3.0
   59    49    57    64   1.11900  1.0 1.0
   59    49    57    64  -1.16350 -1.0 2.0
   59    49    57    64  -0.34150  1.0 3.0
   59    65    73    74   0.00000  1.0 1.0
   66    65    73    74   0.00000  1.0 1.0
   67    65    73    74   0.00000  1.0 1.0
   51    43    49    50   0.23400  1.0 3.0
   51    43    49    57   0.62750  1.0 1.0
   51    43    49    57  -0.30950 -1.0 2.0
   51    43    49    57   0.27300  1.0 3.0
   51    43    49    59   1.11900  1.0 1.0
   51    43    49    59  -1.16350 -1.0 2.0
   51    43    49    59  -0.34150  1.0 3.0
   51    60    68    69  -0.22900  1.0 1.0
   51    60    68    69   0.09450 -1.0 2.0
   51    60    68    69  -0.07800  1.0 3.0
   51    60    70    75   0.88300  1.0 1.0
   51    60    70    75   0.16450 -1.0 2.0
   51    60    70    75   0.32850  1.0 3.0
   60    70    75    76   0.50000  1.0 3.0
   60    70    75    77   0.50000  1.0 3.0
   60    70    75    82   0.15000  1.0 3.0
   61    60    68    69   0.00000  1.0 1.0
   61    60    70    75   0.50000  1.0 3.0
   68    60    70    75   0.88300  1.0 1.0
   68    60    70    75   0.16450 -1.0 2.0
   68    60    70    75   0.32850  1.0 3.0
   70    60    68    69  -0.22900  1.0 1.0
   70    60    68    69   0.09450 -1.0 2.0
   70    60    68    69  -0.07800  1.0 3.0
   70    75    82    83   0.00000  1.0 1.0
   76    75    82    83   0.00000  1.0 1.0
   77    75    82    83   0.00000  1.0 1.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    49   0.62750  1.0 1.0
   45    40    43    49  -0.30950 -1.0 2.0
   45    40    43    49   0.27300  1.0 3.0
   45    40    43    51   1.11900  1.0 1.0
   45    40    43    51  -1.16350 -1.0 2.0
   45    40    43    51  -0.34150  1.0 3.0
   45    52    62    63   0.00000  1.0 1.0
   53    52    62    63   0.00000  1.0 1.0
   54    52    62    63   0.00000  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   1.11900  1.0 1.0
   42    38    40    45  -1.16350 -1.0 2.0
   42    38    40    45  -0.34150  1.0 3.0
   42    46    55    56   0.00000  1.0 1.0
   47    46    55    56   0.00000  1.0 1.0
   48    46    55    56   0.00000  1.0 1.0
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
END
