* LIGAND DATABASE FILE (OPLS2005)
*
001      86    87    152    227     441
    1     0 S   NP   _N1_     1    27.98251    95.18491   -20.06905
    2     1 S   H    _HN1     2     1.02953    83.70516   -18.64422
    3     1 S   H    _H1_     3     1.02842    41.82397   106.00650
    4     1 S   H    _H2_     4     1.02783    83.52167  -127.90982
    5     1 S   CT   _CA1     5     1.50110   152.57531   104.86916
    6     5 S   HC   _HA1     6     1.09578   105.26777    60.36458
    7     5 S   CO3  _C1_     7     1.53838   111.98812   -59.78772
    8     7 S   O2Z  _O11     8     1.26358   115.07301   -53.24841
    9     7 S   O2Z  _O12     9     1.26229   114.90083   125.66907
   10     5 S   CT   _CB1    10     1.53082   107.37782   178.09875
   11    10 S   HC   HB11    11     1.09822   109.53366   -50.71502
   12    10 S   HC   HB12    12     1.09819   110.40842    65.87728
   13    10 S   CT   _CG1    13     1.52981   112.51750  -171.75095
   14    13 S   HC   HG11    14     1.09539   110.25521   -59.88524
   15    13 S   HC   HG12    15     1.09619   110.14454    59.32039
   16    13 S   C    _CD1    16     1.51755   112.12254   179.87646
   17    16 S   O    _OE1    17     1.22785   123.26228    -4.92971
   18    16 S   N    _N2_    18     1.38503   111.89468   174.72430
   19    18 S   H    _HN2    19     1.01642   119.19073     3.98919
   20    18 S   CT1  _CA2    20     1.45851   122.66915  -176.94828
   21    20 S   HC   _HA2    21     1.09742   108.40723    29.94929
   22    20 S   C    _C2_    22     1.52859   107.76416   -87.57992
   23    22 S   O    _O2_    23     1.22935   122.93629   -27.60817
   24    20 S   CT   _CB2    32     1.53304   112.32228   152.46894
   25    24 S   HC   HB21    33     1.09535   109.97360    63.25026
   26    24 S   HC   HB22    34     1.09538   110.50673  -178.97416
   27    22 S   N    _N3_    24     1.38624   112.30700   155.46115
   28    27 S   H    _HN3    25     1.01495   119.70216     0.44719
   29    24 S   S    _SG2    35     1.82719   111.07876   -59.40185
   30    27 S   CT   _CA3    26     1.45447   122.89171   174.65181
   31    30 S   HC   HA31    27     1.09534   109.00916    29.42627
   32    30 S   HC   HA32    28     1.09478   107.17253   146.61309
   33    29 S   CT   _C24    36     1.84105    99.79409   130.79648
   34    33 S   HC   _H3_    37     1.09617   107.77547   -34.20833
   35    30 S   CO3  _C3_    29     1.53078   113.50968   -93.58687
   36    35 S   O2Z  _O31    30     1.26386   115.80814   -31.03869
   37    35 S   O2Z  _O32    31     1.26407   114.69930   149.82073
   38    33 S   CT   _C22    38     1.53556   109.56954  -151.49864
   39    38 S   HC   _H46    39     1.09605   111.24679   -48.74142
   40    38 S   HC   _H47    40     1.09693   109.47424  -167.85491
   41    33 S   CT   _C23    65     1.53967   111.03661    83.25183
   42    41 S   HC   _H48    66     1.09850   109.14987   -58.86764
   43    41 S   HC   _H49    67     1.09892   108.03459  -172.87134
   44    38 S   CO4  _C16    41     1.52487   113.34746    73.97615
   45    44 S   O    _O22    42     1.23116   122.72701     8.88768
   46    41 S   CT   _C20    68     1.53495   115.55574    65.36451
   47    46 S   HC   _H42    69     1.09649   110.45502    59.32487
   48    46 S   HC   _H43    70     1.09602   111.28547   -58.15579
   49    44 S   CT   _C21    43     1.51723   116.51364  -172.45389
   50    49 S   HC   _H44    44     1.09544   109.58215    -6.42132
   51    49 S   HC   _H45    45     1.09625   107.02795  -121.77229
   52    46 S   CA   _C11    71     1.51040   111.28914  -179.28208
   53    49 S   CT   _C19    46     1.52664   111.70160   117.74643
   54    53 S   HC   _H40    47     1.09624   109.98616    53.66838
   55    53 S   HC   _H41    48     1.09731   109.37614   169.66595
   56    52 S   CA   _C5_    72     1.39988   120.41615   -96.08275
   57    56 S   HA   _H29    73     1.08711   120.43071    -0.69436
   58    53 S   CA   _C10    49     1.51024   113.10598   -69.54412
   59    56 S   CA   _C7_    74     1.39346   120.29768   179.27368
   60    59 S   HA   _H31    75     1.08619   119.37415   179.82754
   61    58 S   CA   _C4_    50     1.40094   120.20139   -71.08403
   62    61 S   HA   _H28    51     1.08724   120.33196    -0.38512
   63    59 S   CA   _C13    76     1.39522   119.67662    -0.30261
   64    61 S   CA   _C6_    52     1.39291   120.43775   179.68973
   65    64 S   HA   _H30    53     1.08607   119.40151  -179.93439
   66    63 S   CA   _C15    77     1.39986   121.14341    -0.10653
   67    63 S   OH   _O24    85     1.37047   119.78487  -179.94405
   68    67 S   HO   _H52    86     0.97202   108.78848    -0.16313
   69    64 S   CA   _C12    54     1.39439   119.60944     0.21850
   70    52 S   CA   _C9_    78     1.40578   120.15672    82.63695
   71    70 S   HA   _H33    79     1.08652   118.05538     0.76156
   72    66 S   OS   _O26    80     1.37055   116.12065  -179.72305
   73    69 S   CA   _C14    55     1.39980   121.14201    -0.03426
   74    69 S   OH   _O23    63     1.37050   119.77550   179.89532
   75    74 S   HO   _H51    64     0.97196   108.77535    -0.30455
   76    72 S   CT   _C18    81     1.42244   117.13058   178.31414
   77    76 S   HC   _H37    82     1.09429   107.74281  -179.05415
   78    76 S   HC   _H38    83     1.09495   111.10828    63.24152
   79    76 S   HC   _H39    84     1.09505   111.17859   -61.30556
   80    58 S   CA   _C8_    56     1.40537   120.48205   108.79853
   81    80 S   HA   _H32    57     1.08640   118.21779     0.20271
   82    73 S   OS   _O25    58     1.37063   115.94156   179.57664
   83    82 S   CT   _C17    59     1.42156   117.09238   178.54505
   84    83 S   HC   _H34    60     1.09420   107.81706  -179.80119
   85    83 S   HC   _H35    61     1.09491   111.28300    62.32811
   86    83 S   HC   _H36    62     1.09339   110.84739   -62.21323
  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
  14   8   2   1   1  12   5   4   9   5   4   8   4   9   4   3
   8   5   4   9   9   4   3   8   4   9   7   3   8   4   7   7
   3   9   3   1   7   3   1   4   9   3   1   3   2   1   1   3
   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    41    42    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    49    41    42    43    46    47    48    52  
   38    39    40    44    41    42    43    46  
   36    37  
   37  
    0  
   39    40    44    45    49    50    51    53    41    42    43    46  
   40    44    45    49    41  
   44    45    49    41  
   42    43    46    47    48    52    56    70    44  
   43    46    47    48    52  
   46    47    48    52  
   45    49    50    51    53    54    55    58  
   49    50    51    53  
   47    48    52    56    57    59    66    70    71  
   48    52    56    70  
   52    56    70  
   50    51    53    54    55    58    61    80  
   51    53    54    55    58  
   53    54    55    58  
   56    57    59    60    63    66    70    71    72  
   54    55    58    61    62    64    73    80    81  
   55    58    61    80  
   58    61    80  
   57    59    60    63    66    70    71    67  
   59    60    63    70  
   61    62    64    65    69    73    80    81    82  
   60    63    66    70    72    67    68  
   63    66    67  
   62    64    65    69    73    80    81    74  
   64    65    69    80  
   66    70    71    72    76    67    68  
   65    69    73    80    82    74    75  
   69    73    74  
   70    71    72    76    77    78    79    67    68  
   68    70    72  
    0  
   73    80    81    82    83    74    75  
   71    72    76  
   72  
   76    77    78    79  
   80    81    82    83    84    85    86    74    75  
   75    80    82  
    0  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83  
   82  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    44   317.000  1.522
   44    45   570.000  1.229
   44    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   317.000  1.510
   58    61   469.000  1.400
   58    80   469.000  1.400
   61    62   367.000  1.080
   61    64   469.000  1.400
   64    65   367.000  1.080
   64    69   469.000  1.400
   69    73   469.000  1.400
   69    74   450.000  1.364
   73    80   469.000  1.400
   73    82   450.000  1.364
   80    81   367.000  1.080
   82    83   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   74    75   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    52   317.000  1.510
   52    56   469.000  1.400
   52    70   469.000  1.400
   56    57   367.000  1.080
   56    59   469.000  1.400
   59    60   367.000  1.080
   59    63   469.000  1.400
   63    66   469.000  1.400
   63    67   450.000  1.364
   66    70   469.000  1.400
   66    72   450.000  1.364
   70    71   367.000  1.080
   72    76   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   67    68   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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    44    63.00000  111.10000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    44    45    80.00000  120.40000
   38    44    49    70.00000  116.00000
   40    38    39    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    40    35.00000  109.50000
   44    49    50    35.00000  109.50000
   44    49    51    35.00000  109.50000
   44    49    53    63.00000  111.10000
   49    44    45    80.00000  120.40000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    58    70.00000  112.17500
   51    49    50    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   53    58    61    70.00000  120.00000
   53    58    80    70.00000  120.00000
   55    53    54    33.00000  107.80000
   58    53    54    35.00000  109.50000
   58    53    55    35.00000  109.50000
   58    61    62    35.00000  120.00000
   58    61    64    63.00000  120.00000
   58    80    73    63.00000  120.00000
   58    80    81    35.00000  120.00000
   61    64    65    35.00000  120.00000
   61    64    69    63.00000  120.00000
   64    61    62    35.00000  120.00000
   64    69    73    63.00000  120.00000
   64    69    74    70.00000  120.00000
   69    64    65    35.00000  120.00000
   69    73    80    63.00000  120.00000
   69    73    82    70.00000  120.00000
   69    74    75    35.00000  113.00000
   73    80    81    35.00000  120.00000
   73    82    83    75.00000  111.00000
   80    58    61    63.00000  120.00000
   82    73    80    70.00000  120.00000
   82    83    84    35.00000  109.50000
   82    83    85    35.00000  109.50000
   82    83    86    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   74    69    73    70.00000  120.00000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    52    70.00000  112.17500
   43    41    42    33.00000  107.80000
   46    41    42    37.50000  110.70000
   46    41    43    37.50000  110.70000
   46    52    56    70.00000  120.00000
   46    52    70    70.00000  120.00000
   48    46    47    33.00000  107.80000
   52    46    47    35.00000  109.50000
   52    46    48    35.00000  109.50000
   52    56    57    35.00000  120.00000
   52    56    59    63.00000  120.00000
   52    70    66    63.00000  120.00000
   52    70    71    35.00000  120.00000
   56    59    60    35.00000  120.00000
   56    59    63    63.00000  120.00000
   59    56    57    35.00000  120.00000
   59    63    66    63.00000  120.00000
   59    63    67    70.00000  120.00000
   63    59    60    35.00000  120.00000
   63    66    70    63.00000  120.00000
   63    66    72    70.00000  120.00000
   63    67    68    35.00000  113.00000
   66    70    71    35.00000  120.00000
   66    72    76    75.00000  111.00000
   70    52    56    63.00000  120.00000
   72    66    70    70.00000  120.00000
   72    76    77    35.00000  109.50000
   72    76    78    35.00000  109.50000
   72    76    79    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   67    63    66    70.00000  120.00000
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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   33    38    44    45   0.30150 -1.0 2.0
   33    38    44    49   0.60050  1.0 1.0
   33    38    44    49   0.05600 -1.0 2.0
   33    38    44    49   0.26150  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    48   0.15000  1.0 3.0
   33    41    46    52  -0.03700  1.0 1.0
   33    41    46    52   0.37200 -1.0 2.0
   33    41    46    52  -0.47300  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    44  -0.11250  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    43   0.15000  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    43   0.15000  1.0 3.0
   38    33    41    46   0.56750  1.0 1.0
   38    33    41    46  -0.07550 -1.0 2.0
   38    33    41    46   0.20000  1.0 3.0
   38    44    49    50   0.00000  1.0 1.0
   38    44    49    51   0.00000  1.0 1.0
   38    44    49    53   0.60050  1.0 1.0
   38    44    49    53   0.05600 -1.0 2.0
   38    44    49    53   0.26150  1.0 3.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    49   0.00000  1.0 1.0
   40    38    44    45   0.00000  1.0 1.0
   40    38    44    49   0.00000  1.0 1.0
   44    49    53    54  -0.11250  1.0 3.0
   44    49    53    55  -0.11250  1.0 3.0
   44    49    53    58   0.56750  1.0 1.0
   44    49    53    58  -0.07550 -1.0 2.0
   44    49    53    58   0.20000  1.0 3.0
   45    44    49    50   0.00000  1.0 1.0
   45    44    49    51   0.00000  1.0 1.0
   45    44    49    53   0.30150 -1.0 2.0
   49    53    58    61   0.04150 -1.0 2.0
   49    53    58    80   0.04150 -1.0 2.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    58   0.43200  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    55   0.15000  1.0 3.0
   51    49    53    58   0.43200  1.0 3.0
   53    58    61    62   3.62500 -1.0 2.0
   53    58    61    64   3.62500 -1.0 2.0
   53    58    80    73   3.62500 -1.0 2.0
   53    58    80    81   3.62500 -1.0 2.0
   54    53    58    61   0.00000  1.0 1.0
   54    53    58    80   0.00000  1.0 1.0
   55    53    58    61   0.00000  1.0 1.0
   55    53    58    80   0.00000  1.0 1.0
   58    61    64    65   3.62500 -1.0 2.0
   58    61    64    69   3.62500 -1.0 2.0
   61    58    80    73   3.62500 -1.0 2.0
   61    58    80    81   3.62500 -1.0 2.0
   61    64   -69    73   3.62500 -1.0 2.0
   61    64    69    74   3.62500 -1.0 2.0
   62    61    64    65   3.62500 -1.0 2.0
   62    61    64    69   3.62500 -1.0 2.0
   64    69    73    80   3.62500 -1.0 2.0
   64    69    73    82   3.62500 -1.0 2.0
   64    69    74    75   0.84100 -1.0 2.0
   65    64    69    73   3.62500 -1.0 2.0
   65    64    69    74   3.62500 -1.0 2.0
   69    73   -80    58   3.62500 -1.0 2.0
   69    73    80    81   3.62500 -1.0 2.0
   69    73    82    83   1.63200 -1.0 2.0
   73    69    74    75   0.84100 -1.0 2.0
   73    82    83    84   0.08050  1.0 3.0
   73    82    83    85   0.08050  1.0 3.0
   73    82    83    86   0.08050  1.0 3.0
   80    58    61    62   3.62500 -1.0 2.0
   80    58   -61    64   3.62500 -1.0 2.0
   80    73    82    83   1.63200 -1.0 2.0
   82    73    80    58   3.62500 -1.0 2.0
   82    73    80    81   3.62500 -1.0 2.0
   74    69    73    80   3.62500 -1.0 2.0
   74    69    73    82   3.62500 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    44  -0.95700  1.0 1.0
   41    33    38    44  -0.18200 -1.0 2.0
   41    33    38    44   0.29450  1.0 3.0
   41    46    52    56   0.04150 -1.0 2.0
   41    46    52    70   0.04150 -1.0 2.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    48   0.15000  1.0 3.0
   42    41    46    52   0.43200  1.0 3.0
   43    41    46    47   0.15000  1.0 3.0
   43    41    46    48   0.15000  1.0 3.0
   43    41    46    52   0.43200  1.0 3.0
   46    52    56    57   3.62500 -1.0 2.0
   46    52    56    59   3.62500 -1.0 2.0
   46    52    70    66   3.62500 -1.0 2.0
   46    52    70    71   3.62500 -1.0 2.0
   47    46    52    56   0.00000  1.0 1.0
   47    46    52    70   0.00000  1.0 1.0
   48    46    52    56   0.00000  1.0 1.0
   48    46    52    70   0.00000  1.0 1.0
   52    56    59    60   3.62500 -1.0 2.0
   52    56    59    63   3.62500 -1.0 2.0
   56    52    70    66   3.62500 -1.0 2.0
   56    52    70    71   3.62500 -1.0 2.0
   56    59   -63    66   3.62500 -1.0 2.0
   56    59    63    67   3.62500 -1.0 2.0
   57    56    59    60   3.62500 -1.0 2.0
   57    56    59    63   3.62500 -1.0 2.0
   59    63    66    70   3.62500 -1.0 2.0
   59    63    66    72   3.62500 -1.0 2.0
   59    63    67    68   0.84100 -1.0 2.0
   60    59    63    66   3.62500 -1.0 2.0
   60    59    63    67   3.62500 -1.0 2.0
   63    66   -70    52   3.62500 -1.0 2.0
   63    66    70    71   3.62500 -1.0 2.0
   63    66    72    76   1.63200 -1.0 2.0
   66    63    67    68   0.84100 -1.0 2.0
   66    72    76    77   0.08050  1.0 3.0
   66    72    76    78   0.08050  1.0 3.0
   66    72    76    79   0.08050  1.0 3.0
   70    52    56    57   3.62500 -1.0 2.0
   70    52   -56    59   3.62500 -1.0 2.0
   70    66    72    76   1.63200 -1.0 2.0
   72    66    70    52   3.62500 -1.0 2.0
   72    66    70    71   3.62500 -1.0 2.0
   67    63    66    70   3.62500 -1.0 2.0
   67    63    66    72   3.62500 -1.0 2.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   38    49    44    45  10.50000 -1.0 2.0
   61    80    58    53   4.00000 -1.0 2.0
   64    62    61    58   1.10000 -1.0 2.0
   69    65    64    61   1.10000 -1.0 2.0
   73    74    69    64   4.00000 -1.0 2.0
   80    82    73    69   4.00000 -1.0 2.0
   73    81    80    58   1.10000 -1.0 2.0
   56    70    52    46   4.00000 -1.0 2.0
   59    57    56    52   1.10000 -1.0 2.0
   63    60    59    56   1.10000 -1.0 2.0
   66    67    63    59   4.00000 -1.0 2.0
   70    72    66    63   4.00000 -1.0 2.0
   66    71    70    52   1.10000 -1.0 2.0
END
