* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    141    210     406
    1     0 S   NP   _N1_     1    28.90134    97.97447   -22.31318
    2     1 S   H    _HN1     2     1.02928    47.06224   147.78990
    3     1 S   H    _H1_     3     1.02797   104.91265  -111.71990
    4     1 S   H    _H2_     4     1.02868    63.70393    -8.50314
    5     1 S   CT   _CA1     5     1.50377   141.93709    82.77648
    6     5 S   HC   _HA1     6     1.09700   104.68067   107.34443
    7     5 S   CO3  _C1_     7     1.54300   110.86701    -9.04431
    8     7 S   O2Z  _O11     8     1.26054   116.43156  -104.75005
    9     7 S   O2Z  _O12     9     1.26514   113.85389    73.45185
   10     5 S   CT   _CB1    10     1.53119   107.08215  -136.81070
   11    10 S   HC   HB11    11     1.09830   109.64969   -47.22019
   12    10 S   HC   HB12    12     1.09764   110.58790    69.54133
   13    10 S   CT   _CG1    13     1.52870   111.99860  -167.81765
   14    13 S   HC   HG11    14     1.09468   110.66803   -62.66690
   15    13 S   HC   HG12    15     1.09642   109.69025    56.50915
   16    13 S   C    _CD1    16     1.51638   112.65873   176.58843
   17    16 S   O    _OE1    17     1.22704   123.52481     1.14398
   18    16 S   N    _N2_    18     1.38611   111.43601  -178.37370
   19    18 S   H    _HN2    19     1.01603   119.02838     0.02798
   20    18 S   CT1  _CA2    20     1.46068   122.80510   177.92698
   21    20 S   HC   _HA2    21     1.09705   108.60475    31.53965
   22    20 S   C    _C2_    22     1.53219   109.87888   -85.35209
   23    22 S   O    _O2_    23     1.23112   121.07780   159.18735
   24    20 S   CT   _CB2    32     1.53283   111.55902   154.51463
   25    24 S   HC   HB21    33     1.09400   109.27778    57.65871
   26    24 S   HC   HB22    34     1.09528   110.27130   176.28912
   27    22 S   N    _N3_    24     1.38136   114.43694   -28.05596
   28    27 S   H    _HN3    25     1.01580   119.44173     6.63250
   29    24 S   S    _SG2    35     1.82578   111.19375   -63.28597
   30    27 S   CT   _CA3    26     1.45247   123.33358  -176.66687
   31    30 S   HC   HA31    27     1.09537   107.99950   -55.04774
   32    30 S   HC   HA32    28     1.09552   107.55026    61.44965
   33    29 S   CT   _C6_    36     1.84336   100.44524  -179.54976
   34    33 S   HC   _H4_    37     1.09690   106.26491    56.07889
   35    30 S   CO3  _C3_    29     1.52928   113.74947  -176.60662
   36    35 S   O2Z  _O31    30     1.26387   115.86501    12.18641
   37    35 S   O2Z  _O32    31     1.26375   114.56263  -167.77144
   38    33 S   CT   _C7_    38     1.53177   106.87139   170.33753
   39    38 S   HC   _H10    39     1.09517   112.21409    65.42807
   40    38 S   HC   _H11    40     1.09655   111.20235   -55.55625
   41    38 S   HC   _H12    41     1.09443   111.13369  -173.81005
   42    33 S   CT   _C5_    42     1.54638   113.83864   -63.15846
   43    42 S   HC   _H3_    43     1.09696   109.24826    61.45344
   44    42 S   CO4  _C8_    44     1.52286   113.28052   -58.34207
   45    44 S   O    _O33    45     1.22355   124.57491   -86.63276
   46    42 S   CT   _C4_    75     1.53270   112.50905   177.30311
   47    46 S   HC   _H7_    76     1.09465   112.31626    67.62256
   48    46 S   HC   _H8_    77     1.09483   110.87172   -53.82413
   49    46 S   HC   _H9_    78     1.09608   110.32143  -173.26620
   50    44 S   OS   _O34    46     1.36472   109.65071    93.66119
   51    50 S   CT   _C9_    47     1.42995   116.81862   179.61794
   52    51 S   HC   _H5_    48     1.09621   111.86965   -40.64393
   53    51 S   CA   _C10    49     1.48810   110.05751  -162.09598
   54    51 S   CT   _C16    59     1.54665   111.96144    89.25376
   55    54 S   HC   _H6_    60     1.10018   109.62356    24.64248
   56    53 S   CA   _C11    50     1.38570   129.67513    49.58036
   57    56 S   HA   _H13    51     1.08462   119.67253    -2.17790
   58    54 S   CM   _C17    61     1.51426   114.43289   -98.45222
   59    56 S   CA   _C12    52     1.40150   118.22009   176.67916
   60    58 S   CM   _C18    62     1.34311   121.07089   113.10132
   61    60 S   HC   _H16    63     1.08506   121.45478   179.60336
   62    60 S   HC   _H17    64     1.08514   121.51395    -0.51014
   63    58 S   CT   _C19    65     1.50346   118.00130   -67.77059
   64    63 S   HC   _H18    66     1.09453   110.64343   -59.02934
   65    63 S   HC   _H19    67     1.09378   110.88512    61.50489
   66    63 S   HC   _H20    68     1.09548   111.93773  -178.68985
   67    59 S   CA   _C13    53     1.41046   120.29709    -1.06386
   68    67 S   HA   _H14    54     1.08760   120.63157  -179.60933
   69    59 S   CO4  _C20    69     1.48771   121.19923  -179.66839
   70    69 S   O    _O36    70     1.22880   119.80634   158.45117
   71    67 S   CA   _C14    55     1.39649   120.65826     0.76974
   72    71 S   HA   _H15    56     1.08432   120.83777   179.87967
   73    69 S   CT   _C21    71     1.50695   118.92038   -20.39134
   74    73 S   HC   _H21    72     1.09273   109.82603    82.43729
   75    73 S   HC   _H22    73     1.09323   111.02611   -40.09173
   76    73 S   HC   _H23    74     1.09441   109.00570  -158.07031
   77    53 S   CA   _C15    57     1.38576   109.33853  -133.67038
   78    77 S   OS   _O35    58     1.37053   113.62648     3.16632
  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   7   3   2   1   9   7  10   3   4   2   1
   1   9  13   7  12  13   5  10   4   9  11   7   2   1   4   2
   1   1   8   4   6   4   3   2   3   2   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    50    46    47    48    49  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    50    51    46    47    48    49  
   44    45    50    46    47    48    49  
   45    50    51    52    53    54    46    47    48    49  
   50    51    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    56    77    78    54    55    58  
   52    53    56    57    59    71    77    78    54    55    58    60    63  
   53    56    77    78    54    55    58  
   56    57    59    67    71    72    77    78    54    55    58    69  
   55    58    60    61    62    63    64    65    66    56    71    77    78  
   58    60    63    77    78  
   57    59    67    68    71    77    78    69    70    73  
   59    67    77    69  
   60    61    62    63    64    65    66    77    78  
   67    68    71    72    77    69    70    73    74    75    76  
   61    62    63    64    65    66    78  
   62    63  
   63  
   64    65    66    78  
   65    66  
   66  
    0  
   68    71    72    77    78    69    70    73  
   71    72    77    69  
   70    73    74    75    76    71  
   73    74    75    76  
   72    77    78  
   77    78  
   74    75    76  
   75    76  
   76  
    0  
   78  
    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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   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   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   78   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
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    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   317.000  1.510
   51    54   268.000  1.529
   53    56   469.000  1.400
   53    77   469.000  1.400
   56    57   367.000  1.080
   56    59   469.000  1.400
   59    67   469.000  1.400
   59    69   310.000  1.470
   67    68   367.000  1.080
   67    71   469.000  1.400
   71    72   367.000  1.080
   71    77   469.000  1.400
   77    78   450.000  1.364
   78    54   320.000  1.410
   54    55   340.000  1.090
   54    58   317.000  1.510
   58    60   549.000  1.340
   58    63   317.000  1.510
   60    61   340.000  1.080
   60    62   340.000  1.080
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   69    70   570.000  1.229
   69    73   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
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    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    50    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   44    42    43    35.00000  109.50000
   44    50    51    83.00000  116.90000
   50    44    45    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    85.00000  111.85700
   50    51    54    50.00000  109.50000
   51    53    56    70.00000  120.00000
   51    53    77    70.00000  120.00000
   51    54    78    50.00000  109.50000
   51    54    55    37.50000  110.70000
   51    54    58    70.00000  112.02700
   53    51    52    35.00000  109.50000
   53    56    57    35.00000  120.00000
   53    56    59    63.00000  120.00000
   53    77    71    63.00000  120.00000
   53    77    78    70.00000  120.00000
   56    59    67    63.00000  120.00000
   56    59    69    60.00000  119.52600
   59    56    57    35.00000  120.00000
   59    67    68    35.00000  120.00000
   59    67    71    63.00000  120.00000
   59    69    70    75.00000  123.78400
   59    69    73    65.00000  115.47100
   67    71    72    35.00000  120.00000
   67    71    77    63.00000  120.00000
   71    67    68    35.00000  120.00000
   71    77    78    70.00000  120.00000
   77    53    56    63.00000  120.00000
   77    71    72    35.00000  120.00000
   77    78    54    75.00000  111.00000
   78    54    55    35.00000  109.50000
   78    54    58    85.00000  110.90400
   54    51    52    37.50000  110.70000
   54    51    53    70.00000  112.17500
   54    58    60    70.00000  124.00000
   54    58    63    65.00000  117.92700
   58    54    55    35.00000  109.50000
   58    60    61    35.00000  120.00000
   58    60    62    35.00000  120.00000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    66    35.00000  109.50000
   62    60    61    35.00000  117.00000
   63    58    60    70.00000  124.00000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   69    59    67    60.00000  119.52600
   69    73    74    35.00000  109.50000
   69    73    75    35.00000  109.50000
   69    73    76    35.00000  109.50000
   73    69    70    80.00000  120.40000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    50   0.36750  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    49   0.15000  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    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    50    51   1.63150  1.0 1.0
   42    44    50    51   2.92000 -1.0 2.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    50   0.00000  1.0 1.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    49  -0.11250  1.0 3.0
   44    50    51    52   0.08050  1.0 3.0
   44    50    51    53  -0.43900 -1.0 2.0
   44    50    51    53   0.14100  1.0 3.0
   44    50    51    54  -0.25900  1.0 1.0
   44    50    51    54  -0.47000 -1.0 2.0
   44    50    51    54   0.11750  1.0 3.0
   45    44    50    51   3.00000 -1.0 2.0
   50    51    53    56   0.64500  1.0 1.0
   50    51    53    56   0.14800 -1.0 2.0
   50    51    53    56   0.20650  1.0 3.0
   50    51    53    77   0.64500  1.0 1.0
   50    51    53    77   0.14800 -1.0 2.0
   50    51    53    77   0.20650  1.0 3.0
   50    51    54    78   1.11900  1.0 1.0
   50    51    54    78  -1.16350 -1.0 2.0
   50    51    54    78  -0.34150  1.0 3.0
   50    51    54    55   0.23400  1.0 3.0
   50    51    54    58   0.61850  1.0 1.0
   50    51    54    58  -0.22750 -1.0 2.0
   50    51    54    58   0.15300  1.0 3.0
   51    53    56    57   3.62500 -1.0 2.0
   51    53    56    59   3.62500 -1.0 2.0
   51    53    77    71   3.62500 -1.0 2.0
   51    53   -77    78   3.62500 -1.0 2.0
   51    54    58    60   0.09850  1.0 1.0
   51    54    58    60   0.15250 -1.0 2.0
   51    54    58    60  -0.50650  1.0 3.0
   51    54    58    63   0.46850  1.0 1.0
   51    54    58    63   0.08550 -1.0 2.0
   51    54    58    63   0.09800  1.0 3.0
   52    51    53    56   0.00000  1.0 1.0
   52    51    53    77   0.00000  1.0 1.0
   52    51    54    78   0.23400  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    58   0.15000  1.0 3.0
   53    51   -54    78  -0.64350  1.0 1.0
   53    51   -54    78  -0.04200 -1.0 2.0
   53    51   -54    78   0.19800  1.0 3.0
   53    51    54    55   0.43200  1.0 3.0
   53    51    54    58   0.21200  1.0 1.0
   53    51    54    58   0.16900 -1.0 2.0
   53    51    54    58  -1.15100  1.0 3.0
   53    56    59    67   3.62500 -1.0 2.0
   53    56    59    69   3.62500 -1.0 2.0
   53    77   -78    54   1.63200 -1.0 2.0
   56    53    77    71   3.62500 -1.0 2.0
   56    53    77    78   3.62500 -1.0 2.0
   56    59    67    68   3.62500 -1.0 2.0
   56    59   -67    71   3.62500 -1.0 2.0
   56    59    69    70   1.05000 -1.0 2.0
   56    59    69    73   2.26350  1.0 1.0
   56    59    69    73   0.76750 -1.0 2.0
   56    59    69    73   0.22500  1.0 3.0
   57    56    59    67   3.62500 -1.0 2.0
   57    56    59    69   3.62500 -1.0 2.0
   59    67    71    72   3.62500 -1.0 2.0
   59    67    71    77   3.62500 -1.0 2.0
   59    69    73    74   0.00000  1.0 1.0
   59    69    73    75   0.00000  1.0 1.0
   59    69    73    76   0.00000  1.0 1.0
   67    59    69    70   1.05000 -1.0 2.0
   67    59    69    73   2.26350  1.0 1.0
   67    59    69    73   0.76750 -1.0 2.0
   67    59    69    73   0.22500  1.0 3.0
   67    71   -77    53   3.62500 -1.0 2.0
   67    71    77    78   3.62500 -1.0 2.0
   68    67    71    72   3.62500 -1.0 2.0
   68    67    71    77   3.62500 -1.0 2.0
   71    77    78    54   1.63200 -1.0 2.0
   72    71    77    53   3.62500 -1.0 2.0
   72    71    77    78   3.62500 -1.0 2.0
   77    53    56    57   3.62500 -1.0 2.0
   77    53   -56    59   3.62500 -1.0 2.0
   77    78   -54    51  -0.32850  1.0 1.0
   77    78   -54    51  -0.35800 -1.0 2.0
   77    78   -54    51   0.33950  1.0 3.0
   77    78    54    55   0.08050  1.0 3.0
   77    78    54    58  -0.25600  1.0 1.0
   77    78    54    58  -0.40050 -1.0 2.0
   77    78    54    58   0.34700  1.0 3.0
   78    54    58    60   0.39000  1.0 1.0
   78    54    58    60  -0.05800 -1.0 2.0
   78    54    58    60  -0.55150  1.0 3.0
   78    54    58    63   0.09700  1.0 1.0
   78    54    58    63   0.15600 -1.0 2.0
   78    54    58    63  -0.50800  1.0 3.0
   54    51    53    56   0.04150 -1.0 2.0
   54    51   -53    77   0.04150 -1.0 2.0
   54    58    60    61   7.00000 -1.0 2.0
   54    58    60    62   7.00000 -1.0 2.0
   54    58    63    64   0.34800  1.0 3.0
   54    58    63    65   0.34800  1.0 3.0
   54    58    63    66   0.34800  1.0 3.0
   55    54    58    60   0.00000  1.0 1.0
   55    54    58    63   0.34800  1.0 3.0
   60    58    63    64   0.00000  1.0 1.0
   60    58    63    65   0.00000  1.0 1.0
   60    58    63    66   0.00000  1.0 1.0
   63    58    60    61   7.00000 -1.0 2.0
   63    58    60    62   7.00000 -1.0 2.0
   69    59    67    68   3.62500 -1.0 2.0
   69    59    67    71   3.62500 -1.0 2.0
   70    69    73    74   0.00000  1.0 1.0
   70    69    73    75   0.00000  1.0 1.0
   70    69    73    76   0.00000  1.0 1.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    50   0.36750  1.0 3.0
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
   42    50    44    45  10.50000 -1.0 2.0
   56    77    53    51   4.00000 -1.0 2.0
   59    57    56    53   1.10000 -1.0 2.0
   67    69    59    56   4.00000 -1.0 2.0
   71    68    67    59   1.10000 -1.0 2.0
   77    72    71    67   1.10000 -1.0 2.0
   71    78    77    53   4.00000 -1.0 2.0
   54    63    58    60  15.00000 -1.0 2.0
   61    62    60    58  15.00000 -1.0 2.0
   59    73    69    70  10.50000 -1.0 2.0
END
