* LIGAND DATABASE FILE (OPLS2005)
*
001      83    83    146    203     423
    1     0 S   NP   _N1_     1    31.51557   101.49101   -21.46733
    2     1 S   H    _HN1     2     1.03500   174.07203   -86.67397
    3     1 S   H    _H1_     3     1.02846    66.88037  -106.53245
    4     1 S   H    _H2_     4     1.02701    76.52239   137.41690
    5     1 S   CT   _CA1     5     1.50200    69.25774    18.26192
    6     5 S   HC   _HA1     6     1.09413   104.94746   119.85289
    7     5 S   CO3  _C1_     7     1.53703   113.23033    -0.76489
    8     7 S   O2Z  _O11     8     1.26457   115.07126   -30.90818
    9     7 S   O2Z  _O12     9     1.26246   115.21105   148.55217
   10     5 S   CT   _CB1    10     1.52847   107.21668  -121.67595
   11    10 S   HC   HB11    11     1.09533   109.08792   -40.73682
   12    10 S   HC   HB12    12     1.09835   110.62236    74.84096
   13    10 S   CT   _CG1    13     1.53227   113.30958  -162.79693
   14    13 S   HC   HG11    14     1.09512   111.08207   -84.69378
   15    13 S   HC   HG12    15     1.09584   111.40339    35.01177
   16    13 S   C    _CD1    16     1.51518   109.10581   154.97023
   17    16 S   O    _OE1    17     1.22779   122.14399    97.06297
   18    16 S   N    _N2_    18     1.38454   112.18098   -79.62373
   19    18 S   H    _HN2    19     1.01946   118.65700    -3.31257
   20    18 S   CT1  _CA2    20     1.45708   123.30592   168.07785
   21    20 S   HC   _HA2    21     1.09671   109.00758    28.17677
   22    20 S   C    _C2_    22     1.53264   107.92280   -88.27430
   23    22 S   O    _O2_    23     1.23157   121.00643   146.69509
   24    20 S   CT   _CB2    32     1.53075   112.12134   152.24785
   25    24 S   HC   HB21    33     1.09490   110.04442    54.94993
   26    24 S   HC   HB22    34     1.09398   109.44257   173.45354
   27    22 S   N    _N3_    24     1.38586   114.64784   -40.74479
   28    27 S   H    _HN3    25     1.01844   119.49853     1.90125
   29    24 S   S    _SG2    35     1.82395   111.46951   -66.37753
   30    27 S   CT   _CA3    26     1.45311   122.60677  -177.71287
   31    30 S   HC   HA31    27     1.09571   108.25403   -50.32852
   32    30 S   HC   HA32    28     1.09578   107.24046    65.53658
   33    29 S   CT   _C7_    36     1.85506    99.97367   161.52056
   34    33 S   HC   _H6_    37     1.09411   105.26048   -37.22048
   35    30 S   CO3  _C3_    29     1.52889   113.79057  -171.69002
   36    35 S   O2Z  _O31    30     1.26459   115.67670    47.87844
   37    35 S   O2Z  _O32    31     1.26372   114.90685  -132.98028
   38    33 S   CT   _C6_    38     1.54482   110.92432  -153.65100
   39    38 S   HC   _H5_    39     1.09762   108.29313   168.47166
   40    38 S   CT   _C5_    40     1.54146   112.99151   -73.42665
   41    40 S   HC   _H4_    41     1.09568   111.27300    69.03871
   42    38 S   OS   _O41    74     1.42954   112.10620    50.59428
   43    40 S   CT   _C4_    42     1.53644   110.47556   -54.94396
   44    43 S   HC   _H3_    43     1.09723   108.68364   -65.78864
   45    40 S   OS   _O48    68     1.43428   107.34471  -172.56130
   46    42 S   P2   _P3_    75     1.63521   120.95954    78.72820
   47    46 S   O2Z  _O43    76     1.51391   108.09925   164.65499
   48    46 S   O2Z  _O42    77     1.51264   109.83282    31.37810
   49    43 S   CT   _C9_    44     1.53165   112.73759    55.00988
   50    49 S   HC   _H8_    45     1.09676   109.53007  -175.44568
   51    43 S   OS   _O52    62     1.42279   108.53645   175.79318
   52    45 S   P2   _P5_    69     1.63128   119.82162  -131.33682
   53    52 S   O2Z  _O51    70     1.51172   109.92928    53.60278
   54    52 S   O2Z  _O49    71     1.51236   110.08650   -82.11901
   55    46 S   OS   _O44    78     1.62945    99.38722   -82.75970
   56    33 S   CT   _C8_    46     1.54624   114.67131    82.10526
   57    56 S   HC   _H7_    47     1.09885   107.08735  -171.29983
   58    49 S   OS   _O33    55     1.42725   109.39726    66.25431
   59    51 S   P2   _P6_    63     1.62887   119.77139   129.50475
   60    59 S   O2Z  _O55    64     1.51155   110.47467   -46.45727
   61    59 S   O2Z  _O53    65     1.51204   108.63424    88.58006
   62    52 S   OS   _O50    72     1.63155    98.01918   165.34553
   63    62 S   HO   _H14    73     0.97889   115.67879   -77.92508
   64    55 S   P2   _P4_    79     1.62642   129.67776  -168.91921
   65    64 S   O2Z  _O47    80     1.50996   109.91454   -50.18158
   66    64 S   O2Z  _O45    81     1.51296   108.35554   175.43606
   67    56 S   OS   _O37    48     1.42263   111.55977   -53.56513
   68    58 S   P1   _P1_    56     1.61296   119.61599   126.05169
   69    68 S   O2Z  _O34    57     1.49962   115.49636    50.24109
   70    59 S   OS   _O54    66     1.63126    97.43776  -158.80588
   71    70 S   HO   _H15    67     0.98394   114.23788    65.68099
   72    64 S   OS   _O46    82     1.62937    98.55851    63.06706
   73    72 S   HO   _H13    83     0.98096   115.91978   -66.43870
   74    67 S   P1   _P2_    49     1.61370   119.78926  -100.25504
   75    74 S   O2Z  _O38    50     1.49889   115.23359   -59.23024
   76    68 S   OS   _O35    58     1.61126   104.07728   -76.39567
   77    76 S   HO   _H9_    59     0.97852   118.59355   163.55105
   78    68 S   OS   _O36    60     1.61353   103.74552   176.06607
   79    78 S   HO   _H10    61     0.97880   117.80501  -170.38248
   80    74 S   OS   _O39    51     1.61315   103.19853   175.03264
   81    80 S   HO   _H11    52     0.97904   118.00068   170.63185
   82    74 S   OS   _O40    53     1.61209   104.18970    67.66515
   83    82 S   HO   _H12    54     0.97924   118.40988  -172.45033
  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   7   3   2
  12   6   7   4   3   2   5   8   3   7   4   3   2   1   1   4
   3   2   6   5   4   1   1   1   1   5   4   3   1   1   1   3
   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    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    56    57    67    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    50    56    57    67    74    58    45    42    46  
   38    39    40    49    56    57    67    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    56    57    67    51    45    52    42    46    47    48    55  
   40    41    43    56    45    42    46  
   41    43    44    49    50    56    58    51    59    45    52    53    54    62    42    46  
   43    44    49    51    45    52    42  
   46    47    48    55    64    43    45    56  
   44    49    50    56    57    67    58    68    51    59    60    61    70    45    52  
   49    50    56    58    51    59    45  
   52    53    54    62    63    49    51  
   47    48    55    64    65    66    72  
   48    55    64  
   55    64  
   50    56    57    67    74    58    68    69    76    78    51    59  
   56    57    67    58    68    51  
   59    60    61    70    71    56    58  
   53    54    62    63  
   54    62    63  
   62    63  
   64    65    66    72    73  
   57    67    74    75    80    82    58    68  
   67    74    58  
   68    69    76    77    78    79    67  
   60    61    70    71  
   61    70    71  
   70    71  
   63  
    0  
   65    66    72    73  
   66    72    73  
   72    73  
   74    75    80    81    82    83  
   69    76    77    78    79  
   76    77    78    79  
   71  
    0  
   73  
    0  
   75    80    81    82    83  
   80    81    82    83  
   77    78    79  
   78  
   79  
    0  
   81    82    83  
   82  
   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   0.140000   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   1.361100   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   0.212900   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  -0.610000   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  -0.022200   1.5900   1.4000   0.020110767  -0.896042159
   56   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   59   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   60   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   61   2.9800   0.2000  -0.970000   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   3.7400   0.2000   1.263600   2.1070   1.8700   0.005000000   0.000000000
   65   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   66   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   67   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   68   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   69   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   70   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   72   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   75   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   76   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   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  -0.568200   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    56   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    56   268.000  1.529
   49    58   320.000  1.410
   56    57   340.000  1.090
   56    67   320.000  1.410
   67    74   405.000  1.623
   74    75   675.000  1.490
   74    80   405.000  1.623
   74    82   405.000  1.623
   80    81   553.000  0.945
   82    83   553.000  0.945
   58    68   405.000  1.623
   68    69   675.000  1.490
   68    76   405.000  1.623
   68    78   405.000  1.623
   76    77   553.000  0.945
   78    79   553.000  0.945
   51    59   230.000  1.697
   59    60   525.000  1.480
   59    61   525.000  1.480
   59    70   230.000  1.697
   70    71   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    64   230.000  1.697
   64    65   525.000  1.480
   64    66   525.000  1.480
   64    72   230.000  1.697
   72    73   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    56    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    56    49    58.35000  112.70000
   33    56    57    37.50000  110.70000
   33    56    67    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    56    58.35000  112.70000
   43    49    58    50.00000  109.50000
   43    51    59   100.00000  120.50000
   49    43    44    37.50000  110.70000
   49    56    57    37.50000  110.70000
   49    56    67    50.00000  109.50000
   49    58    68    75.00000  119.24600
   56    33    34    37.50000  110.70000
   56    33    38    58.35000  112.70000
   56    49    50    37.50000  110.70000
   56    67    74    75.00000  119.24600
   67    56    57    35.00000  109.50000
   67    74    75   100.00000  115.86100
   67    74    80   120.00000  102.38000
   67    74    82   120.00000  102.38000
   74    80    81    50.00000  113.86100
   74    82    83    50.00000  113.86100
   80    74    75   100.00000  115.86100
   82    74    75   100.00000  115.86100
   82    74    80   120.00000  102.38000
   58    49    50    35.00000  109.50000
   58    49    56    50.00000  109.50000
   58    68    69   100.00000  115.86100
   58    68    76   120.00000  102.38000
   58    68    78   120.00000  102.38000
   68    76    77    50.00000  113.86100
   68    78    79    50.00000  113.86100
   76    68    69   100.00000  115.86100
   78    68    69   100.00000  115.86100
   78    68    76   120.00000  102.38000
   51    43    44    35.00000  109.50000
   51    43    49    50.00000  109.50000
   51    59    60   100.00000  108.23000
   51    59    61   100.00000  108.23000
   51    59    70    45.00000  102.60000
   59    70    71    45.00000  108.50000
   61    59    60   140.00000  119.90000
   70    59    60   100.00000  108.23000
   70    59    61   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    64    50.00000  132.62000
   48    46    47   140.00000  119.90000
   55    46    47   100.00000  108.23000
   55    46    48   100.00000  108.23000
   55    64    65   100.00000  108.23000
   55    64    66   100.00000  108.23000
   55    64    72    45.00000  102.60000
   64    72    73    45.00000  108.50000
   66    64    65   140.00000  119.90000
   72    64    65   100.00000  108.23000
   72    64    66   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    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   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    56    49   0.44750  1.0 1.0
   29    33    56    49  -0.17800 -1.0 2.0
   29    33    56    49   0.20200  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    67   0.56750  1.0 1.0
   29    33    56    67  -0.07550 -1.0 2.0
   29    33    56    67   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    56    67    74  -2.65550  1.0 1.0
   33    56    67    74  -0.22350 -1.0 2.0
   33    56    67    74   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    56    49   0.15000  1.0 3.0
   34    33    56    57   0.15000  1.0 3.0
   34    33    56    67   0.23400  1.0 3.0
   38    33    56    49   0.56750  1.0 1.0
   38    33    56    49  -0.07550 -1.0 2.0
   38    33    56    49   0.20000  1.0 3.0
   38    33    56    57   0.15000  1.0 3.0
   38    33    56    67   0.62750  1.0 1.0
   38    33    56    67  -0.30950 -1.0 2.0
   38    33    56    67   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    56   0.56750  1.0 1.0
   40    43    49    56  -0.07550 -1.0 2.0
   40    43    49    56   0.20000  1.0 3.0
   40    43    49    58   0.62750  1.0 1.0
   40    43    49    58  -0.30950 -1.0 2.0
   40    43    49    58   0.27300  1.0 3.0
   40    43    51    59  -2.65550  1.0 1.0
   40    43    51    59  -0.22350 -1.0 2.0
   40    43    51    59   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   -56    33   0.56750  1.0 1.0
   43    49   -56    33  -0.07550 -1.0 2.0
   43    49   -56    33   0.20000  1.0 3.0
   43    49    56    57   0.15000  1.0 3.0
   43    49    56    67   0.62750  1.0 1.0
   43    49    56    67  -0.30950 -1.0 2.0
   43    49    56    67   0.27300  1.0 3.0
   43    49    58    68  -2.65550  1.0 1.0
   43    49    58    68  -0.22350 -1.0 2.0
   43    49    58    68   0.24150  1.0 3.0
   43    51    59    60   0.00000  1.0 1.0
   43    51    59    61   0.00000  1.0 1.0
   43    51    59    70   0.05050  1.0 1.0
   43    51    59    70  -1.30700 -1.0 2.0
   43    51    59    70   0.91550  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    56   0.15000  1.0 3.0
   44    43    49    58   0.23400  1.0 3.0
   44    43    51    59   0.03000  1.0 3.0
   49    43    51    59  -2.65550  1.0 1.0
   49    43    51    59  -0.22350 -1.0 2.0
   49    43    51    59   0.24150  1.0 3.0
   49    56    67    74  -2.65550  1.0 1.0
   49    56    67    74  -0.22350 -1.0 2.0
   49    56    67    74   0.24150  1.0 3.0
   49    58    68    69   0.00000  1.0 1.0
   49    58    68    76   0.91800  1.0 1.0
   49    58    68    76   0.22900 -1.0 2.0
   49    58    68    76   0.32050  1.0 3.0
   49    58    68    78   0.91800  1.0 1.0
   49    58    68    78   0.22900 -1.0 2.0
   49    58    68    78   0.32050  1.0 3.0
   50    49    56    33   0.15000  1.0 3.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    67   0.23400  1.0 3.0
   50    49    58    68   0.03000  1.0 3.0
   56    33    38    39   0.15000  1.0 3.0
   56    33   -38    40   0.56750  1.0 1.0
   56    33   -38    40  -0.07550 -1.0 2.0
   56    33   -38    40   0.20000  1.0 3.0
   56    33    38    42   0.62750  1.0 1.0
   56    33    38    42  -0.30950 -1.0 2.0
   56    33    38    42   0.27300  1.0 3.0
   56    49    58    68  -2.65550  1.0 1.0
   56    49    58    68  -0.22350 -1.0 2.0
   56    49    58    68   0.24150  1.0 3.0
   56    67    74    75   0.00000  1.0 1.0
   56    67    74    80   0.91800  1.0 1.0
   56    67    74    80   0.22900 -1.0 2.0
   56    67    74    80   0.32050  1.0 3.0
   56    67    74    82   0.91800  1.0 1.0
   56    67    74    82   0.22900 -1.0 2.0
   56    67    74    82   0.32050  1.0 3.0
   57    56    67    74   0.03000  1.0 3.0
   67    74    80    81  -0.22900  1.0 1.0
   67    74    80    81   0.09450 -1.0 2.0
   67    74    80    81  -0.07800  1.0 3.0
   67    74    82    83  -0.22900  1.0 1.0
   67    74    82    83   0.09450 -1.0 2.0
   67    74    82    83  -0.07800  1.0 3.0
   75    74    80    81   0.00000  1.0 1.0
   75    74    82    83   0.00000  1.0 1.0
   80    74    82    83  -0.22900  1.0 1.0
   80    74    82    83   0.09450 -1.0 2.0
   80    74    82    83  -0.07800  1.0 3.0
   82    74    80    81  -0.22900  1.0 1.0
   82    74    80    81   0.09450 -1.0 2.0
   82    74    80    81  -0.07800  1.0 3.0
   58    49    56    33   0.62750  1.0 1.0
   58    49    56    33  -0.30950 -1.0 2.0
   58    49    56    33   0.27300  1.0 3.0
   58    49    56    57   0.23400  1.0 3.0
   58    49    56    67   1.11900  1.0 1.0
   58    49    56    67  -1.16350 -1.0 2.0
   58    49    56    67  -0.34150  1.0 3.0
   58    68    76    77  -0.22900  1.0 1.0
   58    68    76    77   0.09450 -1.0 2.0
   58    68    76    77  -0.07800  1.0 3.0
   58    68    78    79  -0.22900  1.0 1.0
   58    68    78    79   0.09450 -1.0 2.0
   58    68    78    79  -0.07800  1.0 3.0
   69    68    76    77   0.00000  1.0 1.0
   69    68    78    79   0.00000  1.0 1.0
   76    68    78    79  -0.22900  1.0 1.0
   76    68    78    79   0.09450 -1.0 2.0
   76    68    78    79  -0.07800  1.0 3.0
   78    68    76    77  -0.22900  1.0 1.0
   78    68    76    77   0.09450 -1.0 2.0
   78    68    76    77  -0.07800  1.0 3.0
   51    43    49    50   0.23400  1.0 3.0
   51    43    49    56   0.62750  1.0 1.0
   51    43    49    56  -0.30950 -1.0 2.0
   51    43    49    56   0.27300  1.0 3.0
   51    43    49    58   1.11900  1.0 1.0
   51    43    49    58  -1.16350 -1.0 2.0
   51    43    49    58  -0.34150  1.0 3.0
   51    59    70    71   0.00000  1.0 1.0
   60    59    70    71   0.00000  1.0 1.0
   61    59    70    71   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    64   0.15000  1.0 3.0
   46    55    64    65   0.50000  1.0 3.0
   46    55    64    66   0.50000  1.0 3.0
   46    55    64    72   0.15000  1.0 3.0
   47    46    55    64   0.50000  1.0 3.0
   48    46    55    64   0.50000  1.0 3.0
   55    64    72    73   0.00000  1.0 1.0
   65    64    72    73   0.00000  1.0 1.0
   66    64    72    73   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
