* LIGAND DATABASE FILE (OPLS2005)
*
001      86    86    154    218     447
    1     0 S   NP   _N1_     1    28.51029    98.31970   -21.79020
    2     1 S   H    _HN1     2     1.02784   111.06291  -145.32984
    3     1 S   H    _H1_     3     1.02854    69.22331   -43.03632
    4     1 S   H    _H2_     4     1.02940    39.39381   121.99117
    5     1 S   CT   _CA1     5     1.50553   133.81943    56.85902
    6     5 S   HC   _HA1     6     1.09689   104.59560   100.85182
    7     5 S   CO3  _C1_     7     1.54403   110.66333   -15.14904
    8     7 S   O2Z  _O11     8     1.26019   116.65087  -112.63834
    9     7 S   O2Z  _O12     9     1.26593   113.73080    65.40690
   10     5 S   CT   _CB1    10     1.53113   106.95684  -143.12953
   11    10 S   HC   HB11    11     1.09843   109.96661   -42.68352
   12    10 S   HC   HB12    12     1.09762   110.32814    74.01043
   13    10 S   CT   _CG1    13     1.52998   112.19774  -163.11182
   14    13 S   HC   HG11    14     1.09525   110.89496   -60.18053
   15    13 S   HC   HG12    15     1.09667   109.64387    58.81990
   16    13 S   C    _CD1    16     1.51832   112.16545   179.49448
   17    16 S   O    _OE1    17     1.22795   123.31495    10.81343
   18    16 S   N    _N2_    18     1.38450   111.86371  -170.07899
   19    18 S   H    _HN2    19     1.02017   118.96111     1.09199
   20    18 S   CT1  _CA2    20     1.45817   122.87130  -176.96823
   21    20 S   HC   _HA2    21     1.09750   108.28224    33.95346
   22    20 S   C    _C2_    22     1.53030   108.61146   -83.39374
   23    22 S   O    _O2_    23     1.22900   123.42662   -20.53636
   24    20 S   CT   _CB2    32     1.53227   111.83106   156.52121
   25    24 S   HC   HB21    33     1.09530   109.45222    59.94909
   26    24 S   HC   HB22    34     1.09509   110.83164   178.07217
   27    22 S   N    _N3_    24     1.38575   112.11695   162.11669
   28    27 S   H    _HN3    25     1.01615   120.17374    -3.54773
   29    24 S   S    _SG2    35     1.82485   110.99394   -62.23268
   30    27 S   CT   _CA3    26     1.45288   122.96207   177.44419
   31    30 S   HC   HA31    27     1.09561   108.15677   -47.80502
   32    30 S   HC   HA32    28     1.09532   107.44574    68.76563
   33    29 S   CT   _C13    36     1.85657    99.95534   139.70150
   34    33 S   HC   _H8_    37     1.09398   106.39840   -33.24024
   35    30 S   CO3  _C3_    29     1.52957   113.92934  -169.89810
   36    35 S   O2Z  _O31    30     1.26373   115.99056    -3.50386
   37    35 S   O2Z  _O32    31     1.26410   114.42975   176.33104
   38    33 S   CT   _C14    38     1.54012   111.85636    85.74944
   39    38 S   HC   _H9_    39     1.09714   109.16952  -171.38717
   40    38 S   CT   _C9_    40     1.54032   112.38207    67.79201
   41    40 S   HC   _H4_    41     1.09534   109.70482   -65.31375
   42    38 S   OH   _O39    85     1.42625   110.66415   -56.00499
   43    42 S   HO   _H17    86     0.97222   107.59762   -60.22914
   44    40 S   CT   _C10    42     1.53855   110.71474    56.18094
   45    44 S   HC   _H5_    43     1.09378   110.31529  -175.44594
   46    40 S   OS   _O38    58     1.42978   108.16608   177.06795
   47    44 S   CT   _C11    44     1.53920   111.92413   -53.80186
   48    47 S   HC   _H6_    45     1.09613   109.79335   -70.15302
   49    44 S   OH   _O45    56     1.43329   110.28475    69.19653
   50    49 S   HO   _H20    57     0.97000   109.39787   -68.06547
   51    46 S   P2   _P1_    59     1.63498   120.82837   150.16983
   52    51 S   O2Z  _O37    60     1.51260   109.30325    51.02512
   53    51 S   O2Z  _O36    61     1.51331   108.06607  -176.42642
   54    33 S   CT   _C12    46     1.54251   110.47341  -150.70898
   55    54 S   HC   _H7_    47     1.09685   109.08524   168.75635
   56    47 S   OH   _O44    54     1.43043   109.46106   173.56678
   57    56 S   HO   _H19    55     0.97238   107.52532    52.26582
   58    51 S   OS   _O35    62     1.63396   100.76565   -62.31662
   59    54 S   OS   _O40    48     1.43162   111.23175    51.23153
   60    58 S   CT   _C8_    63     1.42350   119.65432   -66.60089
   61    60 S   HC   _H15    64     1.09455   109.04371   -58.75669
   62    60 S   HC   _H16    65     1.09092   108.57065    59.88484
   63    59 S   P2   _P2_    49     1.63209   119.64845    74.62571
   64    63 S   O2Z  _O43    50     1.51136   109.42402    58.10619
   65    63 S   O2Z  _O41    51     1.51228   109.84169   -77.07658
   66    60 S   CT   _C7_    66     1.52908   108.56242  -178.98317
   67    66 S   HC   _H3_    67     1.09726   108.57224    55.77469
   68    63 S   OS   _O42    52     1.62938    98.33280   170.35655
   69    68 S   HO   _H18    53     0.97868   116.44051   -79.46580
   70    66 S   CT   _C6_    68     1.53095   111.84617   177.79940
   71    70 S   HC   _H13    69     1.09591   110.22703   -60.34980
   72    70 S   HC   _H14    70     1.09571   110.25010   178.70215
   73    66 S   OS   _O46    78     1.44813   107.80695   -62.33355
   74    70 S   OS   _O34    71     1.43898   109.21191    59.82614
   75    73 S   CO4  _C15    79     1.36257   117.04785   154.62833
   76    75 S   O    _O47    80     1.22349   126.40956    -0.50822
   77    74 S   CO4  _C5_    72     1.36179   115.73463   178.81634
   78    77 S   O    _O33    73     1.22332   126.22617     3.43205
   79    75 S   CT   _C16    81     1.49758   109.64378   179.40785
   80    79 S   HC   _H21    82     1.09202   109.75159   -61.80756
   81    79 S   HC   _H22    83     1.09376   109.36471   179.25401
   82    79 S   HC   _H23    84     1.09263   109.85788    60.29522
   83    77 S   CT   _C4_    74     1.49862   109.53819  -177.89718
   84    83 S   HC   _H10    75     1.09249   109.70540   -72.41031
   85    83 S   HC   _H11    76     1.09368   109.34326   167.78718
   86    83 S   HC   _H12    77     1.09339   110.03633    49.26938
  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  14   7  16   7   4   1  12   7   7   9   6
   3   1   7   3   2   8   3   2   1   7   5  10   5   4   4   3
   2  10   6   1   1   8   4   3   7   6   5   4   5   4   3   2
   1   1   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    54    55    59    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    48    54    55    59    63    56    46    42    43  
   38    39    40    47    54    55    59    42  
   36    37  
   37  
    0  
   39    40    41    44    45    47    54    55    59    49    46    51    42    43  
   40    41    44    54    46    42    43  
   41    44    45    47    48    54    56    49    50    46    51    52    53    58    42    43  
   44    45    47    49    46    51    42  
   43    44    46    54  
    0  
   45    47    48    54    55    59    56    57    49    50    46    51  
   47    48    54    56    49    50    46  
   51    52    53    58    60    47    49  
   48    54    55    59    63    56    57    49    50  
   54    55    59    56    57    49  
   50    54    56  
    0  
   52    53    58    60    61    62    66  
   53    58    60  
   58    60  
   55    59    63    64    65    68    56    57  
   59    63    56  
   57    59  
    0  
   60    61    62    66    67    70    73  
   63    64    65    68    69  
   61    62    66    67    70    71    72    74    73    75  
   62    66    67    70    73  
   66    67    70    73  
   64    65    68    69  
   65    68    69  
   68    69  
   67    70    71    72    74    77    73    75    76    79  
   70    71    72    74    73    75  
   69  
    0  
   71    72    74    77    78    83    73    75  
   72    74    77    73  
   74    77    73  
   75    76    79    80    81    82    74  
   77    78    83    84    85    86  
   76    79    80    81    82  
   79    80    81    82  
   78    83    84    85    86  
   83    84    85    86  
   80    81    82  
   81    82  
   82  
    0  
   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   0.205000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.7400   0.2000   1.760000   2.1070   1.8700   0.005000000   0.000000000
   52   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   53   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   54   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   59   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   60   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7400   0.2000   1.662500   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.3810   1.2100   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    54   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    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    47   268.000  1.529
   44    49   320.000  1.410
   47    48   340.000  1.090
   47    54   268.000  1.529
   47    56   320.000  1.410
   54    55   340.000  1.090
   54    59   320.000  1.410
   59    63   230.000  1.697
   63    64   525.000  1.480
   63    65   525.000  1.480
   63    68   230.000  1.697
   68    69   553.000  0.945
   56    57   553.000  0.945
   49    50   553.000  0.945
   46    51   230.000  1.697
   51    52   525.000  1.480
   51    53   525.000  1.480
   51    58   230.000  1.697
   58    60   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   268.000  1.529
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    73   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    74   320.000  1.410
   74    77   214.000  1.327
   77    78   570.000  1.229
   77    83   317.000  1.522
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   73    75   214.000  1.327
   75    76   570.000  1.229
   75    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   42    43   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    54    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    54    47    58.35000  112.70000
   33    54    55    37.50000  110.70000
   33    54    59    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    47    58.35000  112.70000
   40    44    49    50.00000  109.50000
   40    46    51   100.00000  120.50000
   44    40    41    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    54    58.35000  112.70000
   44    47    56    50.00000  109.50000
   44    49    50    55.00000  108.50000
   47    44    45    37.50000  110.70000
   47    54    55    37.50000  110.70000
   47    54    59    50.00000  109.50000
   47    56    57    55.00000  108.50000
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    47    48    37.50000  110.70000
   54    59    63   100.00000  120.50000
   59    54    55    35.00000  109.50000
   59    63    64   100.00000  108.23000
   59    63    65   100.00000  108.23000
   59    63    68    45.00000  102.60000
   63    68    69    45.00000  108.50000
   65    63    64   140.00000  119.90000
   68    63    64   100.00000  108.23000
   68    63    65   100.00000  108.23000
   56    47    48    35.00000  109.50000
   56    47    54    50.00000  109.50000
   49    44    45    35.00000  109.50000
   49    44    47    50.00000  109.50000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   46    51    52   100.00000  108.23000
   46    51    53   100.00000  108.23000
   46    51    58    45.00000  102.60000
   51    58    60   100.00000  120.50000
   53    51    52   140.00000  119.90000
   58    51    52   100.00000  108.23000
   58    51    53   100.00000  108.23000
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    66    50.00000  109.50000
   60    66    67    37.50000  110.70000
   60    66    70    58.35000  112.70000
   60    66    73    50.00000  109.50000
   62    60    61    33.00000  107.80000
   66    60    61    37.50000  110.70000
   66    60    62    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    72    37.50000  110.70000
   66    70    74    50.00000  109.50000
   66    73    75    83.00000  116.90000
   70    66    67    37.50000  110.70000
   70    74    77    83.00000  116.90000
   72    70    71    33.00000  107.80000
   74    70    71    35.00000  109.50000
   74    70    72    35.00000  109.50000
   74    77    78    83.00000  123.40000
   74    77    83    81.00000  111.40000
   77    83    84    35.00000  109.50000
   77    83    85    35.00000  109.50000
   77    83    86    35.00000  109.50000
   83    77    78    80.00000  120.40000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   73    66    67    35.00000  109.50000
   73    66    70    50.00000  109.50000
   73    75    76    83.00000  123.40000
   73    75    79    81.00000  111.40000
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    82    35.00000  109.50000
   79    75    76    80.00000  120.40000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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    54    47   0.44750  1.0 1.0
   29    33    54    47  -0.17800 -1.0 2.0
   29    33    54    47   0.20200  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    59   0.56750  1.0 1.0
   29    33    54    59  -0.07550 -1.0 2.0
   29    33    54    59   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.62750  1.0 1.0
   33    38    40    46  -0.30950 -1.0 2.0
   33    38    40    46   0.27300  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    54    59    63  -2.65550  1.0 1.0
   33    54    59    63  -0.22350 -1.0 2.0
   33    54    59    63   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    54    47   0.15000  1.0 3.0
   34    33    54    55   0.15000  1.0 3.0
   34    33    54    59   0.23400  1.0 3.0
   38    33    54    47   0.56750  1.0 1.0
   38    33    54    47  -0.07550 -1.0 2.0
   38    33    54    47   0.20000  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    59   0.62750  1.0 1.0
   38    33    54    59  -0.30950 -1.0 2.0
   38    33    54    59   0.27300  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    47   0.56750  1.0 1.0
   38    40   -44    47  -0.07550 -1.0 2.0
   38    40   -44    47   0.20000  1.0 3.0
   38    40    44    49   0.86500  1.0 1.0
   38    40    44    49  -0.17500 -1.0 2.0
   38    40    44    49   0.20800  1.0 3.0
   38    40    46    51  -2.65550  1.0 1.0
   38    40    46    51  -0.22350 -1.0 2.0
   38    40    46    51   0.24150  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    47    48   0.15000  1.0 3.0
   40    44    47    54   0.56750  1.0 1.0
   40    44    47    54  -0.07550 -1.0 2.0
   40    44    47    54   0.20000  1.0 3.0
   40    44    47    56   0.86500  1.0 1.0
   40    44    47    56  -0.17500 -1.0 2.0
   40    44    47    56   0.20800  1.0 3.0
   40    44    49    50  -0.11600  1.0 1.0
   40    44    49    50  -0.09450 -1.0 2.0
   40    44    49    50   0.21250  1.0 3.0
   40    46    51    52   0.00000  1.0 1.0
   40    46    51    53   0.00000  1.0 1.0
   40    46    51    58   0.05050  1.0 1.0
   40    46    51    58  -1.30700 -1.0 2.0
   40    46    51    58   0.91550  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   41    40    44    49   0.23400  1.0 3.0
   41    40    46    51   0.03000  1.0 3.0
   44    40    46    51  -2.65550  1.0 1.0
   44    40    46    51  -0.22350 -1.0 2.0
   44    40    46    51   0.24150  1.0 3.0
   44    47   -54    33   0.56750  1.0 1.0
   44    47   -54    33  -0.07550 -1.0 2.0
   44    47   -54    33   0.20000  1.0 3.0
   44    47    54    55   0.15000  1.0 3.0
   44    47    54    59   0.62750  1.0 1.0
   44    47    54    59  -0.30950 -1.0 2.0
   44    47    54    59   0.27300  1.0 3.0
   44    47    56    57  -0.11600  1.0 1.0
   44    47    56    57  -0.09450 -1.0 2.0
   44    47    56    57   0.21250  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    54   0.15000  1.0 3.0
   45    44    47    56   0.23400  1.0 3.0
   45    44    49    50   0.19450  1.0 3.0
   47    44    49    50  -0.11600  1.0 1.0
   47    44    49    50  -0.09450 -1.0 2.0
   47    44    49    50   0.21250  1.0 3.0
   47    54    59    63  -2.65550  1.0 1.0
   47    54    59    63  -0.22350 -1.0 2.0
   47    54    59    63   0.24150  1.0 3.0
   48    47    54    33   0.15000  1.0 3.0
   48    47    54    55   0.15000  1.0 3.0
   48    47    54    59   0.23400  1.0 3.0
   48    47    56    57   0.19450  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33   -38    40   0.56750  1.0 1.0
   54    33   -38    40  -0.07550 -1.0 2.0
   54    33   -38    40   0.20000  1.0 3.0
   54    33    38    42   0.86500  1.0 1.0
   54    33    38    42  -0.17500 -1.0 2.0
   54    33    38    42   0.20800  1.0 3.0
   54    47    56    57  -0.11600  1.0 1.0
   54    47    56    57  -0.09450 -1.0 2.0
   54    47    56    57   0.21250  1.0 3.0
   54    59    63    64   0.00000  1.0 1.0
   54    59    63    65   0.00000  1.0 1.0
   54    59    63    68   0.05050  1.0 1.0
   54    59    63    68  -1.30700 -1.0 2.0
   54    59    63    68   0.91550  1.0 3.0
   55    54    59    63   0.03000  1.0 3.0
   59    63    68    69   0.00000  1.0 1.0
   64    63    68    69   0.00000  1.0 1.0
   65    63    68    69   0.00000  1.0 1.0
   56    47    54    33   0.86500  1.0 1.0
   56    47    54    33  -0.17500 -1.0 2.0
   56    47    54    33   0.20800  1.0 3.0
   56    47    54    55   0.23400  1.0 3.0
   56    47    54    59   3.69350  1.0 1.0
   56    47    54    59  -1.82950 -1.0 2.0
   49    44    47    48   0.23400  1.0 3.0
   49    44    47    54   0.86500  1.0 1.0
   49    44    47    54  -0.17500 -1.0 2.0
   49    44    47    54   0.20800  1.0 3.0
   49    44    47    56   3.75450  1.0 1.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    47   0.62750  1.0 1.0
   46    40    44    47  -0.30950 -1.0 2.0
   46    40    44    47   0.27300  1.0 3.0
   46    40    44    49   3.69350  1.0 1.0
   46    40    44    49  -1.82950 -1.0 2.0
   46    51    58    60   0.05050  1.0 1.0
   46    51    58    60  -1.30700 -1.0 2.0
   46    51    58    60   0.91550  1.0 3.0
   51    58    60    61   0.03000  1.0 3.0
   51    58    60    62   0.03000  1.0 3.0
   51    58    60    66  -2.65550  1.0 1.0
   51    58    60    66  -0.22350 -1.0 2.0
   51    58    60    66   0.24150  1.0 3.0
   52    51    58    60   0.00000  1.0 1.0
   53    51    58    60   0.00000  1.0 1.0
   58    60    66    67   0.23400  1.0 3.0
   58    60    66    70   0.62750  1.0 1.0
   58    60    66    70  -0.30950 -1.0 2.0
   58    60    66    70   0.27300  1.0 3.0
   58    60    66    73   1.11900  1.0 1.0
   58    60    66    73  -1.16350 -1.0 2.0
   58    60    66    73  -0.34150  1.0 3.0
   60    66    70    71   0.15000  1.0 3.0
   60    66    70    72   0.15000  1.0 3.0
   60    66    70    74   0.62750  1.0 1.0
   60    66    70    74  -0.30950 -1.0 2.0
   60    66    70    74   0.27300  1.0 3.0
   60    66    73    75  -0.25900  1.0 1.0
   60    66    73    75  -0.47000 -1.0 2.0
   60    66    73    75   0.11750  1.0 3.0
   61    60    66    67   0.15000  1.0 3.0
   61    60    66    70   0.15000  1.0 3.0
   61    60    66    73   0.23400  1.0 3.0
   62    60    66    67   0.15000  1.0 3.0
   62    60    66    70   0.15000  1.0 3.0
   62    60    66    73   0.23400  1.0 3.0
   66    70    74    77  -0.25900  1.0 1.0
   66    70    74    77  -0.47000 -1.0 2.0
   66    70    74    77   0.11750  1.0 3.0
   66    73    75    76   3.00000 -1.0 2.0
   66    73    75    79   1.63150  1.0 1.0
   66    73    75    79   2.92000 -1.0 2.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    72   0.15000  1.0 3.0
   67    66    70    74   0.23400  1.0 3.0
   67    66    73    75   0.08050  1.0 3.0
   70    66    73    75  -0.25900  1.0 1.0
   70    66    73    75  -0.47000 -1.0 2.0
   70    66    73    75   0.11750  1.0 3.0
   70    74    77    78   3.00000 -1.0 2.0
   70    74    77    83   1.63150  1.0 1.0
   70    74    77    83   2.92000 -1.0 2.0
   71    70    74    77   0.08050  1.0 3.0
   72    70    74    77   0.08050  1.0 3.0
   74    77    83    84   0.00000  1.0 1.0
   74    77    83    85   0.00000  1.0 1.0
   74    77    83    86   0.00000  1.0 1.0
   78    77    83    84   0.00000  1.0 1.0
   78    77    83    85   0.00000  1.0 1.0
   78    77    83    86   0.00000  1.0 1.0
   73    66    70    71   0.23400  1.0 3.0
   73    66    70    72   0.23400  1.0 3.0
   73    66    70    74   1.11900  1.0 1.0
   73    66    70    74  -1.16350 -1.0 2.0
   73    66    70    74  -0.34150  1.0 3.0
   73    75    79    80   0.00000  1.0 1.0
   73    75    79    81   0.00000  1.0 1.0
   73    75    79    82   0.00000  1.0 1.0
   76    75    79    80   0.00000  1.0 1.0
   76    75    79    81   0.00000  1.0 1.0
   76    75    79    82   0.00000  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   3.69350  1.0 1.0
   42    38    40    46  -1.82950 -1.0 2.0
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
   74    83    77    78  10.50000 -1.0 2.0
   73    79    75    76  10.50000 -1.0 2.0
END
