* LIGAND DATABASE FILE (OPLS2005)
*
001      83    83    146    203     423
    1     0 S   NP   _N1_     1    29.80710    91.21897   -18.63346
    2     1 S   H    _HN1     2     1.03640   135.55671    44.79371
    3     1 S   H    _H1_     3     1.02757    32.69756    77.35096
    4     1 S   H    _H2_     4     1.02724    83.05407   -62.25504
    5     1 S   CT   _CA1     5     1.49857   103.27351  -173.65217
    6     5 S   HC   _HA1     6     1.09583   104.85586    30.15738
    7     5 S   CO3  _C1_     7     1.53845   112.76740   -89.77324
    8     7 S   O2Z  _O11     8     1.26467   115.47177   -47.05842
    9     7 S   O2Z  _O12     9     1.26310   114.73076   131.56470
   10     5 S   CT   _CB1    10     1.52918   107.58256   147.97348
   11    10 S   HC   HB11    11     1.09851   109.80850   -43.04730
   12    10 S   HC   HB12    12     1.09810   110.42245    73.43381
   13    10 S   CT   _CG1    13     1.53168   112.54019  -163.79033
   14    13 S   HC   HG11    14     1.09529   111.21833   -61.77025
   15    13 S   HC   HG12    15     1.09584   110.85192    57.58442
   16    13 S   C    _CD1    16     1.51441   109.28723   176.71795
   17    16 S   O    _OE1    17     1.22866   121.85618   -88.92934
   18    16 S   N    _N2_    18     1.38005   112.72501    87.84671
   19    18 S   H    _HN2    19     1.02087   119.26070     7.12177
   20    18 S   CT1  _CA2    20     1.45758   123.42365  -170.22758
   21    20 S   HC   _HA2    21     1.09765   108.28205    28.20544
   22    20 S   C    _C2_    22     1.52848   108.40577   -89.35748
   23    22 S   O    _O2_    23     1.22905   123.16722   -25.14663
   24    20 S   CT   _CB2    32     1.53510   111.36053   150.00900
   25    24 S   HC   HB21    33     1.09303   109.27438    62.72599
   26    24 S   HC   HB22    34     1.09494   110.71418  -178.66646
   27    22 S   N    _N3_    24     1.38703   112.20466   157.35280
   28    27 S   H    _HN3    25     1.01495   119.61077     1.23638
   29    24 S   S    _SG2    35     1.82680   110.22810   -58.41365
   30    27 S   CT   _CA3    26     1.45466   123.04056   175.94348
   31    30 S   HC   HA31    27     1.09528   109.12443    26.43064
   32    30 S   HC   HA32    28     1.09486   107.09942   143.56080
   33    29 S   CT   _C8_    36     1.83957   101.08626   169.66471
   34    33 S   HC   _H7_    37     1.09714   105.65660    54.29009
   35    30 S   CO3  _C3_    29     1.53041   113.58045   -96.75508
   36    35 S   O2Z  _O31    30     1.26380   115.80104   -31.80335
   37    35 S   O2Z  _O32    31     1.26417   114.71024   149.19636
   38    33 S   CT   _C9_    38     1.55371   108.67551   169.97944
   39    38 S   HC   _H8_    39     1.09791   109.23178   -56.83313
   40    38 S   CT   _C4_    40     1.54162   110.67702  -176.43806
   41    40 S   HC   _H3_    41     1.09663   108.56351  -174.53327
   42    38 S   OS   _O33    74     1.42297   109.69071    63.76884
   43    40 S   CT   _C5_    42     1.53822   112.56812   -53.58957
   44    43 S   HC   _H4_    43     1.09621   109.94402   170.91639
   45    40 S   OS   _O52    68     1.42788   107.97370    66.30108
   46    42 S   P2   _P1_    75     1.62703   121.32782  -133.78133
   47    46 S   O2Z  _O35    76     1.51248   109.17313    59.51785
   48    46 S   O2Z  _O34    77     1.51172   108.73733   -74.56536
   49    43 S   CT   _C6_    44     1.53817   111.19868    51.66173
   50    49 S   HC   _H5_    45     1.09822   108.23896    65.49580
   51    43 S   OS   _O48    61     1.42481   109.70576   -69.95515
   52    45 S   P2   _P6_    69     1.62972   118.95054   136.52005
   53    52 S   O2Z  _O55    70     1.51056   109.65389    64.37956
   54    52 S   O2Z  _O53    71     1.51071   109.16985   -70.98014
   55    46 S   OS   _O36    78     1.62421    97.00332   172.53066
   56    33 S   CT   _C7_    46     1.54849   113.91806   -64.71267
   57    56 S   HC   _H6_    47     1.09474   111.16642    60.98528
   58    49 S   OS   _O44    54     1.42519   109.34072  -176.64625
   59    51 S   P1   _P5_    62     1.61153   119.44336  -100.75494
   60    59 S   O2Z  _O49    63     1.49902   115.52325    54.94650
   61    52 S   OS   _O54    72     1.63060    98.35679   176.86493
   62    61 S   HO   _H15    73     0.97851   116.10106   175.39198
   63    55 S   P2   _P2_    79     1.61949   132.36619  -167.66106
   64    63 S   O2Z  _O39    80     1.51221   109.68703    68.21404
   65    63 S   O2Z  _O37    81     1.51093   109.76336   -67.26546
   66    56 S   OS   _O40    48     1.42708   110.92432   -60.01783
   67    58 S   P1   _P4_    55     1.61226   119.40489  -100.52707
   68    67 S   O2Z  _O45    56     1.49898   115.47290    55.36481
   69    59 S   OS   _O50    64     1.61419   104.34150   -71.59511
   70    69 S   HO   _H13    65     0.97868   117.75491   169.19045
   71    59 S   OS   _O51    66     1.61316   103.61818  -179.18747
   72    71 S   HO   _H14    67     0.97852   117.93184  -163.77190
   73    63 S   OS   _O38    82     1.63181    97.99465  -179.96574
   74    73 S   HO   _H9_    83     0.98371   116.16402   -70.73785
   75    66 S   P2   _P3_    49     1.62974   120.14741   126.53134
   76    75 S   O2Z  _O43    50     1.51141   110.03376    63.63929
   77    75 S   O2Z  _O41    51     1.51176   109.59478   -71.08865
   78    67 S   OS   _O46    57     1.61392   103.94194   -71.10284
   79    78 S   HO   _H11    58     0.97888   117.95003   171.56874
   80    67 S   OS   _O47    59     1.61309   103.61982  -178.60100
   81    80 S   HO   _H12    60     0.97863   118.00529  -170.16157
   82    75 S   OS   _O42    52     1.63001    98.54953   176.78435
   83    82 S   HO   _H10    53     0.98310   116.72040    82.15381
  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   8   4   3   2   5   8   3   7   5   4   1   1   4   3
   2   5   5   4   3   1   1   1   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    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    66    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    50    56    57    66    75    58    45    42    46  
   38    39    40    49    56    57    66    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    56    57    66    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    61    42    46  
   43    44    49    51    45    52    42  
   46    47    48    55    63    43    45    56  
   44    49    50    56    57    66    58    67    51    59    60    69    71    45    52  
   49    50    56    58    51    59    45  
   52    53    54    61    62    49    51  
   47    48    55    63    64    65    73  
   48    55    63  
   55    63  
   50    56    57    66    75    58    67    68    78    80    51    59  
   56    57    66    58    67    51  
   59    60    69    70    71    72    56    58  
   53    54    61    62  
   54    61    62  
   61    62  
   63    64    65    73    74  
   57    66    75    76    77    82    58    67  
   66    75    58  
   67    68    78    79    80    81    66  
   60    69    70    71    72  
   69    70    71    72  
   62  
    0  
   64    65    73    74  
   65    73    74  
   73    74  
   75    76    77    82    83  
   68    78    79    80    81  
   78    79    80    81  
   70    71    72  
   71  
   72  
    0  
   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   1.361100   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  -0.461100   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  -0.022200   1.5900   1.4000   0.020110767  -0.896042159
   56   3.5000   0.0660   0.140000   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   1.230700   2.1070   1.8700   0.005000000   0.000000000
   60   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   61   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.7400   0.2000   1.263600   2.1070   1.8700   0.005000000   0.000000000
   64   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   65   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   66   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   68   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   69   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   71   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   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   1.662500   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    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    66   320.000  1.410
   66    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
   58    67   405.000  1.623
   67    68   675.000  1.490
   67    78   405.000  1.623
   67    80   405.000  1.623
   78    79   553.000  0.945
   80    81   553.000  0.945
   51    59   405.000  1.623
   59    60   675.000  1.490
   59    69   405.000  1.623
   59    71   405.000  1.623
   69    70   553.000  0.945
   71    72   553.000  0.945
   45    52   230.000  1.697
   52    53   525.000  1.480
   52    54   525.000  1.480
   52    61   230.000  1.697
   61    62   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    63   230.000  1.697
   63    64   525.000  1.480
   63    65   525.000  1.480
   63    73   230.000  1.697
   73    74   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    66    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    75.00000  119.24600
   49    43    44    37.50000  110.70000
   49    56    57    37.50000  110.70000
   49    56    66    50.00000  109.50000
   49    58    67    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    66    75   100.00000  120.50000
   66    56    57    35.00000  109.50000
   66    75    76   100.00000  108.23000
   66    75    77   100.00000  108.23000
   66    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
   58    49    50    35.00000  109.50000
   58    49    56    50.00000  109.50000
   58    67    68   100.00000  115.86100
   58    67    78   120.00000  102.38000
   58    67    80   120.00000  102.38000
   67    78    79    50.00000  113.86100
   67    80    81    50.00000  113.86100
   78    67    68   100.00000  115.86100
   80    67    68   100.00000  115.86100
   80    67    78   120.00000  102.38000
   51    43    44    35.00000  109.50000
   51    43    49    50.00000  109.50000
   51    59    60   100.00000  115.86100
   51    59    69   120.00000  102.38000
   51    59    71   120.00000  102.38000
   59    69    70    50.00000  113.86100
   59    71    72    50.00000  113.86100
   69    59    60   100.00000  115.86100
   71    59    60   100.00000  115.86100
   71    59    69   120.00000  102.38000
   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    61    45.00000  102.60000
   52    61    62    45.00000  108.50000
   54    52    53   140.00000  119.90000
   61    52    53   100.00000  108.23000
   61    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    63    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    63    64   100.00000  108.23000
   55    63    65   100.00000  108.23000
   55    63    73    45.00000  102.60000
   63    73    74    45.00000  108.50000
   65    63    64   140.00000  119.90000
   73    63    64   100.00000  108.23000
   73    63    65   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    66   0.56750  1.0 1.0
   29    33    56    66  -0.07550 -1.0 2.0
   29    33    56    66   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    66    75  -2.65550  1.0 1.0
   33    56    66    75  -0.22350 -1.0 2.0
   33    56    66    75   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    66   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    66   0.62750  1.0 1.0
   38    33    56    66  -0.30950 -1.0 2.0
   38    33    56    66   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    61   0.05050  1.0 1.0
   40    45    52    61  -1.30700 -1.0 2.0
   40    45    52    61   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    66   0.62750  1.0 1.0
   43    49    56    66  -0.30950 -1.0 2.0
   43    49    56    66   0.27300  1.0 3.0
   43    49    58    67  -2.65550  1.0 1.0
   43    49    58    67  -0.22350 -1.0 2.0
   43    49    58    67   0.24150  1.0 3.0
   43    51    59    60   0.00000  1.0 1.0
   43    51    59    69   0.91800  1.0 1.0
   43    51    59    69   0.22900 -1.0 2.0
   43    51    59    69   0.32050  1.0 3.0
   43    51    59    71   0.91800  1.0 1.0
   43    51    59    71   0.22900 -1.0 2.0
   43    51    59    71   0.32050  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    66    75  -2.65550  1.0 1.0
   49    56    66    75  -0.22350 -1.0 2.0
   49    56    66    75   0.24150  1.0 3.0
   49    58    67    68   0.00000  1.0 1.0
   49    58    67    78   0.91800  1.0 1.0
   49    58    67    78   0.22900 -1.0 2.0
   49    58    67    78   0.32050  1.0 3.0
   49    58    67    80   0.91800  1.0 1.0
   49    58    67    80   0.22900 -1.0 2.0
   49    58    67    80   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    66   0.23400  1.0 3.0
   50    49    58    67   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    67  -2.65550  1.0 1.0
   56    49    58    67  -0.22350 -1.0 2.0
   56    49    58    67   0.24150  1.0 3.0
   56    66    75    76   0.00000  1.0 1.0
   56    66    75    77   0.00000  1.0 1.0
   56    66    75    82   0.05050  1.0 1.0
   56    66    75    82  -1.30700 -1.0 2.0
   56    66    75    82   0.91550  1.0 3.0
   57    56    66    75   0.03000  1.0 3.0
   66    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
   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    66   1.11900  1.0 1.0
   58    49    56    66  -1.16350 -1.0 2.0
   58    49    56    66  -0.34150  1.0 3.0
   58    67    78    79  -0.22900  1.0 1.0
   58    67    78    79   0.09450 -1.0 2.0
   58    67    78    79  -0.07800  1.0 3.0
   58    67    80    81  -0.22900  1.0 1.0
   58    67    80    81   0.09450 -1.0 2.0
   58    67    80    81  -0.07800  1.0 3.0
   68    67    78    79   0.00000  1.0 1.0
   68    67    80    81   0.00000  1.0 1.0
   78    67    80    81  -0.22900  1.0 1.0
   78    67    80    81   0.09450 -1.0 2.0
   78    67    80    81  -0.07800  1.0 3.0
   80    67    78    79  -0.22900  1.0 1.0
   80    67    78    79   0.09450 -1.0 2.0
   80    67    78    79  -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    69    70  -0.22900  1.0 1.0
   51    59    69    70   0.09450 -1.0 2.0
   51    59    69    70  -0.07800  1.0 3.0
   51    59    71    72  -0.22900  1.0 1.0
   51    59    71    72   0.09450 -1.0 2.0
   51    59    71    72  -0.07800  1.0 3.0
   60    59    69    70   0.00000  1.0 1.0
   60    59    71    72   0.00000  1.0 1.0
   69    59    71    72  -0.22900  1.0 1.0
   69    59    71    72   0.09450 -1.0 2.0
   69    59    71    72  -0.07800  1.0 3.0
   71    59    69    70  -0.22900  1.0 1.0
   71    59    69    70   0.09450 -1.0 2.0
   71    59    69    70  -0.07800  1.0 3.0
   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    61    62   0.00000  1.0 1.0
   53    52    61    62   0.00000  1.0 1.0
   54    52    61    62   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    63   0.15000  1.0 3.0
   46    55    63    64   0.50000  1.0 3.0
   46    55    63    65   0.50000  1.0 3.0
   46    55    63    73   0.15000  1.0 3.0
   47    46    55    63   0.50000  1.0 3.0
   48    46    55    63   0.50000  1.0 3.0
   55    63    73    74   0.00000  1.0 1.0
   64    63    73    74   0.00000  1.0 1.0
   65    63    73    74   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
