* LIGAND DATABASE FILE (OPLS2005)
*
001      83    83    146    203     423
    1     0 S   NP   _N1_     1    31.54115    99.81241   -17.58062
    2     1 S   H    _HN1     2     1.02871    49.52752   116.65588
    3     1 S   H    _H1_     3     1.03562   148.95584    70.59665
    4     1 S   H    _H2_     4     1.02761    99.56320  -137.78536
    5     1 S   CT   _CA1     5     1.50483    69.09165   -27.60427
    6     5 S   HC   _HA1     6     1.09665   104.25536    96.34866
    7     5 S   CO3  _C1_     7     1.54424   111.62678   -19.11467
    8     7 S   O2Z  _O11     8     1.26069   116.80444  -134.01271
    9     7 S   O2Z  _O12     9     1.26659   114.04182    45.73280
   10     5 S   CT   _CB1    10     1.53127   106.81098  -147.21535
   11    10 S   HC   HB11    11     1.09579   109.19749   -34.73169
   12    10 S   HC   HB12    12     1.09776   110.62639    80.88930
   13    10 S   CT   _CG1    13     1.53283   112.64695  -156.69845
   14    13 S   HC   HG11    14     1.09475   111.03884   -73.29699
   15    13 S   HC   HG12    15     1.09676   110.72289    45.67449
   16    13 S   C    _CD1    16     1.51740   111.53475   165.70478
   17    16 S   O    _OE1    17     1.22788   122.30777   112.43480
   18    16 S   N    _N2_    18     1.38200   112.46019   -67.73769
   19    18 S   H    _HN2    19     1.02110   118.47965    -2.08675
   20    18 S   CT1  _CA2    20     1.45794   124.22228  -179.13002
   21    20 S   HC   _HA2    21     1.09682   108.30210    38.88772
   22    20 S   C    _C2_    22     1.53190   110.02452   -78.33989
   23    22 S   O    _O2_    23     1.23150   120.99869   156.87174
   24    20 S   CT   _CB2    32     1.53494   110.97804   161.83633
   25    24 S   HC   HB21    33     1.09457   109.79404    59.35702
   26    24 S   HC   HB22    34     1.09540   110.35799   177.69505
   27    22 S   N    _N3_    24     1.38221   114.55941   -30.30392
   28    27 S   H    _HN3    25     1.01641   119.22545     3.69766
   29    24 S   S    _SG2    35     1.82723   111.30409   -62.19750
   30    27 S   CT   _CA3    26     1.45248   123.15488  -177.37102
   31    30 S   HC   HA31    27     1.09559   108.20429   -47.45750
   32    30 S   HC   HA32    28     1.09560   107.20805    68.84757
   33    29 S   CT   _C7_    36     1.84204    99.95658   162.35622
   34    33 S   HC   _H6_    37     1.09757   105.82185    42.60372
   35    30 S   CO3  _C3_    29     1.52968   114.41974  -169.44693
   36    35 S   O2Z  _O31    30     1.26326   116.25732     9.51922
   37    35 S   O2Z  _O32    31     1.26475   114.34274  -170.72990
   38    33 S   CT   _C6_    38     1.54808   113.27497   -75.86169
   39    38 S   HC   _H5_    39     1.09483   111.17032    60.00744
   40    38 S   CT   _C5_    40     1.54164   108.24821   178.05489
   41    40 S   HC   _H4_    41     1.09744   107.39185   -62.34970
   42    38 S   OS   _O41    74     1.42665   110.37882   -61.29343
   43    40 S   CT   _C4_    42     1.53895   113.34713    56.86596
   44    43 S   HC   _H3_    43     1.09534   108.18472  -173.46457
   45    40 S   OS   _O48    68     1.42600   109.46932  -179.98022
   46    42 S   P2   _P3_    75     1.63262   121.47399   118.91537
   47    46 S   O2Z  _O43    76     1.51345   107.87062  -165.79744
   48    46 S   O2Z  _O42    77     1.51167   109.93886   -32.92860
   49    43 S   CT   _C9_    44     1.53611   111.50409   -54.00995
   50    49 S   HC   _H8_    45     1.09645   108.19908   171.38596
   51    43 S   OS   _O52    62     1.42593   110.27699    67.63297
   52    45 S   P2   _P5_    69     1.63162   120.17083   133.03795
   53    52 S   O2Z  _O51    70     1.51102   108.85056   174.73754
   54    52 S   O2Z  _O49    71     1.51231   109.61527   -50.98613
   55    46 S   OS   _O44    78     1.62812    99.80745    81.10594
   56    33 S   CT   _C8_    46     1.55034   109.37188   157.96573
   57    56 S   HC   _H7_    47     1.09805   108.19040   -58.79057
   58    49 S   OS   _O33    55     1.42811   108.30592   -69.70016
   59    51 S   P2   _P6_    63     1.63093   119.76549   123.94153
   60    59 S   O2Z  _O55    64     1.51140   108.86685  -177.64175
   61    59 S   O2Z  _O53    65     1.51212   109.49101    48.45527
   62    52 S   OS   _O50    72     1.63071    99.45162    62.61284
   63    62 S   HO   _H14    73     0.98089   115.64983    72.54172
   64    55 S   P2   _P4_    79     1.62785   129.54821  -174.75619
   65    64 S   O2Z  _O47    80     1.51249   109.52996    61.73638
   66    64 S   O2Z  _O45    81     1.51085   109.34270  -163.55788
   67    56 S   OS   _O37    48     1.42515   111.02066    60.79656
   68    58 S   P1   _P1_    56     1.61424   119.00897  -126.52234
   69    68 S   O2Z  _O34    57     1.49844   115.30299    60.31576
   70    59 S   OS   _O54    66     1.63159    99.35109   -65.08097
   71    70 S   HO   _H15    67     0.98055   116.03348   -73.27113
   72    64 S   OS   _O46    82     1.62999    99.39613   -51.13351
   73    72 S   HO   _H13    83     0.97897   116.13174   -73.08175
   74    67 S   P1   _P2_    49     1.61329   119.49726  -142.94945
   75    74 S   O2Z  _O38    50     1.49916   115.57581   -53.38777
   76    68 S   OS   _O35    58     1.61334   104.16655   -66.50108
   77    76 S   HO   _H9_    59     0.97928   117.84834   168.29620
   78    68 S   OS   _O36    60     1.61342   103.43468  -173.98464
   79    78 S   HO   _H10    61     0.97919   117.82137  -168.74700
   80    74 S   OS   _O39    51     1.61289   103.40488  -179.40422
   81    80 S   HO   _H11    52     0.97873   118.06131   166.93447
   82    74 S   OS   _O40    53     1.61367   104.24469    73.16705
   83    82 S   HO   _H12    54     0.97885   117.87586  -172.73637
  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
