* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    150    233     435
    1     0 S   NP   _N1_     1    28.75547    95.70037   -21.18815
    2     1 S   H    _HN1     2     1.02781    88.39857   -88.96350
    3     1 S   H    _H1_     3     1.02958    84.25687    19.61112
    4     1 S   H    _H2_     4     1.02836    37.21164   148.02286
    5     1 S   CT   _CA1     5     1.50123   147.75800   139.41290
    6     5 S   HC   _HA1     6     1.09582   105.22052    64.80741
    7     5 S   CO3  _C1_     7     1.53782   112.26472   -55.29218
    8     7 S   O2Z  _O11     8     1.26347   115.03840   -47.31251
    9     7 S   O2Z  _O12     9     1.26236   114.89894   131.70405
   10     5 S   CT   _CB1    10     1.53083   107.38589  -177.45855
   11    10 S   HC   HB11    11     1.09821   109.27496   -51.73332
   12    10 S   HC   HB12    12     1.09817   110.46930    64.80735
   13    10 S   CT   _CG1    13     1.52975   112.63587  -172.88636
   14    13 S   HC   HG11    14     1.09533   110.25272   -63.74101
   15    13 S   HC   HG12    15     1.09645   110.07256    55.38366
   16    13 S   C    _CD1    16     1.51824   112.32449   175.65044
   17    16 S   O    _OE1    17     1.22728   123.23492    -5.60144
   18    16 S   N    _N2_    18     1.38582   111.68787   175.07558
   19    18 S   H    _HN2    19     1.01658   118.96333     0.16071
   20    18 S   CT1  _CA2    20     1.46271   123.54609  -179.59652
   21    20 S   HC   _HA2    21     1.09727   109.42008     0.40542
   22    20 S   C    _C2_    22     1.53486   108.77501  -115.44127
   23    22 S   O    _O2_    23     1.23055   122.09710  -146.14947
   24    20 S   CT   _CB2    32     1.53408   111.16169   122.27365
   25    24 S   HC   HB21    33     1.09358   109.35924    57.93585
   26    24 S   HC   HB22    34     1.09513   110.62849   176.40152
   27    22 S   N    _N3_    24     1.38465   113.63300    41.25999
   28    27 S   H    _HN3    25     1.01490   118.95414    -0.74230
   29    24 S   S    _SG2    35     1.82693   111.27888   -64.06908
   30    27 S   CT   _CA3    26     1.45465   123.57684   175.36790
   31    30 S   HC   HA31    27     1.09517   109.40911    21.13933
   32    30 S   HC   HA32    28     1.09507   107.07621   138.13751
   33    29 S   CT   _C7_    36     1.85554   100.29468   163.02287
   34    33 S   HC   _H5_    37     1.10015   104.56804    42.13727
   35    30 S   CO3  _C3_    29     1.52912   112.99580  -102.47838
   36    35 S   O2Z  _O31    30     1.26414   115.34993   -46.45364
   37    35 S   O2Z  _O32    31     1.26352   115.03119   134.47238
   38    33 S   CT   _C8_    38     1.55927   111.90704   156.15643
   39    38 S   OM   _O36    39     1.32361   112.49943    60.11314
   40    38 S   HC   _H6_    40     1.10342   103.22386   -67.48797
   41    33 S   CT   _C6_    53     1.54423   112.47522   -73.10024
   42    41 S   HC   _H4_    54     1.09602   108.89863    59.29265
   43    38 S   CM   _C9_    41     1.53865   110.42460   179.72164
   44    41 S   OS   _O37    55     1.44141   111.51539   -61.96558
   45    43 S   CM   _C10    42     1.34865   117.59402   135.57761
   46    45 S   HC   _H10    43     1.08606   120.99425     0.20842
   47    44 S   CO4  _C19    56     1.36175   118.51046   111.32018
   48    47 S   O    _O38    57     1.22373   126.75276     1.38395
   49    45 S   CO4  _C11    44     1.47708   123.80511   177.52282
   50    49 S   O    _O33    45     1.22500   120.60896  -178.05579
   51    47 S   CT   _C20    58     1.49839   109.38160  -177.69378
   52    51 S   HC   _H20    59     1.09324   109.98845   -51.23706
   53    51 S   HC   _H21    60     1.09343   109.30834  -169.75537
   54    51 S   HC   _H22    61     1.09258   109.71191    70.65408
   55    49 S   C3T  _C12    46     1.48700   115.97281     1.55432
   56    55 S   CT   _C13    47     1.51020   116.65513    24.41362
   57    56 S   HC   _H11    48     1.09393   111.21640  -171.41533
   58    56 S   HC   _H12    49     1.09845   106.62671    73.29301
   59    55 S   C3T  _C16    70     1.55024   120.96546  -175.61452
   60    43 S   CT   _C14    50     1.54466   119.53838   -44.06763
   61    55 S   O3T  _O34    71     1.43618   113.13793  -111.05051
   62    59 S   CO4  _C18    72     1.48603   119.60360    -0.84349
   63    62 S   O    _O35    73     1.22492   121.17718  -102.73135
   64    62 S   HC   _H19    74     1.10289   116.87091    78.19968
   65    59 S   CT   _C17    75     1.50539   120.44328  -161.70473
   66    65 S   HC   _H16    76     1.09462   112.49074   -53.13760
   67    65 S   HC   _H17    77     1.09545   110.53611  -172.46173
   68    65 S   HC   _H18    78     1.09447   110.11976    68.36158
   69    60 S   CT   _C5_    51     1.57723   110.85739    41.68129
   70    69 S   HC   _H3_    52     1.10112   106.59726    70.80902
   71    60 S   CT   _C15    66     1.54918   109.21342   -82.70516
   72    71 S   HC   _H13    67     1.09575   111.54373  -167.63563
   73    71 S   HC   _H14    68     1.09192   113.00380    71.92735
   74    71 S   HC   _H15    69     1.09619   111.51925   -48.23712
   75    69 S   CT   _C4_    62     1.53914   113.77506  -172.78833
   76    75 S   HC   _H7_    63     1.09407   112.19002    63.61558
   77    75 S   HC   _H8_    64     1.09335   111.71494   -58.12384
   78    75 S   HC   _H9_    65     1.09596   110.31093  -176.72201
  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  13   5   4  15   6  16  10  10   4   6   4
  10   4   3   2   1   1  15  14   6   5   9  11   7   6   2   1
   3   2   1   1   9   5   4   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    69    41    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    45    60    69    70    41    42    44    47    75  
   38    39    40    43    69    41    42    44  
   36    37  
   37  
    0  
   39    40    43    45    46    49    56    60    69    41    42    44    71  
   40    43    45    60    41  
   43    45    60    41  
   42    44    47    48    51    75    76    77    78    71    43    56    60    69    70  
   44    47    75    60    69    70  
   45    46    49    50    55    56    57    58    60    69    70    75    71    72    73    74  
   47    48    51    52    53    54    75    60    69    70  
   46    49    50    55    56    60    69    71    59    61  
   49    50    55    60  
   48    51    52    53    54    69  
   51    52    53    54  
   50    55    56    57    58    60    59    61    62    65  
   55    56    59    61  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58    60    69    71    59    61    62    63    64    65    66    67    68  
   57    58    60    69    70    75    71    72    73    74    59    61    62    65  
   58    60    69    71    59    61  
   60    69    71    59    61  
   61    62    63    64    65    66    67    68    60  
   69    70    75    76    77    78    71    72    73    74    61  
   62    63    64    65    66    67    68  
   63    64    65    66    67    68  
   64    65  
   65  
   66    67    68  
   67    68  
   68  
    0  
   70    75    76    77    78    71    72    73    74  
   75    76    77    78    71  
   72    73    74    75  
   73    74  
   74  
    0  
   76    77    78  
   77    78  
   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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   62   3.7500   0.1050   0.367200   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   64   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   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   570.000  1.307
   38    40   340.000  1.090
   38    43   317.000  1.510
   43    45   549.000  1.340
   43    60   317.000  1.510
   45    46   340.000  1.080
   45    49   320.000  1.462
   49    50   570.000  1.229
   49    55   290.000  1.496
   55    56   275.000  1.510
   55    59   260.000  1.509
   55    61   335.000  1.432
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   268.000  1.529
   60    69   268.000  1.529
   60    71   268.000  1.529
   69    70   340.000  1.090
   69    41   268.000  1.529
   69    75   268.000  1.529
   41    42   340.000  1.090
   41    44   320.000  1.410
   44    47   214.000  1.327
   47    48   570.000  1.229
   47    51   317.000  1.522
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   59    61   335.000  1.432
   59    62   290.000  1.496
   59    65   275.000  1.510
   62    63   570.000  1.229
   62    64   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   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    41    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    43    70.00000  112.02700
   33    41    69    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    44    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    43    45    70.00000  124.00000
   38    43    60    65.00000  117.92700
   40    38    39    45.00000  125.66300
   43    38    39    85.00000  110.90400
   43    38    40    35.00000  109.50000
   43    45    46    35.00000  120.00000
   43    45    49    65.00000  118.96000
   43    60    56    70.00000  112.02700
   43    60    69    70.00000  112.02700
   43    60    71    70.00000  112.02700
   45    49    50    80.00000  123.72100
   45    49    55    65.00000  118.62400
   49    45    46    40.00000  117.72500
   49    55    56    63.00000  111.10000
   49    55    59    65.00000  117.18000
   49    55    61    80.00000  114.91000
   55    49    50    75.00000  121.36600
   55    56    57    45.00000  109.38400
   55    56    58    45.00000  109.38400
   55    56    60    70.00000  112.37300
   55    59    61    15.00000   60.43100
   55    59    62    65.00000  117.18000
   55    59    65    60.00000  120.94000
   55    61    59    15.00000   59.14900
   56    60    69    58.35000  112.70000
   56    60    71    58.35000  112.70000
   58    56    57    33.00000  107.80000
   60    43    45    70.00000  124.00000
   60    56    57    37.50000  110.70000
   60    56    58    37.50000  110.70000
   60    69    70    37.50000  110.70000
   60    69    41    58.35000  112.70000
   60    69    75    58.35000  112.70000
   60    71    72    37.50000  110.70000
   60    71    73    37.50000  110.70000
   60    71    74    37.50000  110.70000
   69    41    42    37.50000  110.70000
   69    41    44    50.00000  109.50000
   69    75    76    37.50000  110.70000
   69    75    77    37.50000  110.70000
   69    75    78    37.50000  110.70000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    69    70    37.50000  110.70000
   41    44    47    83.00000  116.90000
   44    41    42    35.00000  109.50000
   44    47    48    83.00000  123.40000
   44    47    51    81.00000  111.40000
   47    51    52    35.00000  109.50000
   47    51    53    35.00000  109.50000
   47    51    54    35.00000  109.50000
   51    47    48    80.00000  120.40000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   75    69    70    37.50000  110.70000
   75    69    41    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   71    60    69    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   59    55    56    60.00000  120.94000
   59    62    63    75.00000  121.36600
   59    62    64    40.00000  115.82000
   59    65    66    45.00000  109.38400
   59    65    67    45.00000  109.38400
   59    65    68    45.00000  109.38400
   61    55    56    80.00000  116.47100
   61    55    59    15.00000   60.43100
   62    59    61    80.00000  114.91000
   64    62    63    35.00000  123.00000
   65    59    61    80.00000  116.47100
   65    59    62    63.00000  111.10000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    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    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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    41    69   0.44750  1.0 1.0
   29    33    41    69  -0.17800 -1.0 2.0
   29    33    41    69   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    44   0.56750  1.0 1.0
   29    33    41    44  -0.07550 -1.0 2.0
   29    33    41    44   0.20000  1.0 3.0
   33    38    43    45   0.09850  1.0 1.0
   33    38    43    45   0.15250 -1.0 2.0
   33    38    43    45  -0.50650  1.0 3.0
   33    38    43    60   0.46850  1.0 1.0
   33    38    43    60   0.08550 -1.0 2.0
   33    38    43    60   0.09800  1.0 3.0
   33    41    44    47  -0.25900  1.0 1.0
   33    41    44    47  -0.47000 -1.0 2.0
   33    41    44    47   0.11750  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    69   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    44   0.23400  1.0 3.0
   38    33    41    69   0.56750  1.0 1.0
   38    33    41    69  -0.07550 -1.0 2.0
   38    33    41    69   0.20000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    44   0.62750  1.0 1.0
   38    33    41    44  -0.30950 -1.0 2.0
   38    33    41    44   0.27300  1.0 3.0
   38    43    45    46   7.00000 -1.0 2.0
   38    43    45    49   7.00000 -1.0 2.0
   38    43    60    56   0.46850  1.0 1.0
   38    43    60    56   0.08550 -1.0 2.0
   38    43    60    56   0.09800  1.0 3.0
   38    43   -60    69   0.46850  1.0 1.0
   38    43   -60    69   0.08550 -1.0 2.0
   38    43   -60    69   0.09800  1.0 3.0
   38    43    60    71   0.46850  1.0 1.0
   38    43    60    71   0.08550 -1.0 2.0
   38    43    60    71   0.09800  1.0 3.0
   39    38    43    45   0.39000  1.0 1.0
   39    38    43    45  -0.05800 -1.0 2.0
   39    38    43    45  -0.55150  1.0 3.0
   39    38    43    60   0.09700  1.0 1.0
   39    38    43    60   0.15600 -1.0 2.0
   39    38    43    60  -0.50800  1.0 3.0
   40    38    43    45   0.00000  1.0 1.0
   40    38    43    60   0.34800  1.0 3.0
   43    45    49    50   1.00000 -1.0 2.0
   43    45    49    55  -0.33500  1.0 1.0
   43    45    49    55   1.06600 -1.0 2.0
   43    45    49    55  -0.14000  1.0 3.0
   43    60    69    70   0.15000  1.0 3.0
   43    60    69    41   0.34400  1.0 1.0
   43    60    69    41   0.09450 -1.0 2.0
   43    60    69    41   0.11100  1.0 3.0
   43    60    69    75   0.34400  1.0 1.0
   43    60    69    75   0.09450 -1.0 2.0
   43    60    69    75   0.11100  1.0 3.0
   43    60    71    72   0.15000  1.0 3.0
   43    60    71    73   0.15000  1.0 3.0
   43    60    71    74   0.15000  1.0 3.0
   45    43    60    56   0.09850  1.0 1.0
   45    43    60    56   0.15250 -1.0 2.0
   45    43    60    56  -0.50650  1.0 3.0
   45    43    60    69   0.09850  1.0 1.0
   45    43    60    69   0.15250 -1.0 2.0
   45    43    60    69  -0.50650  1.0 3.0
   45    43    60    71   0.09850  1.0 1.0
   45    43    60    71   0.15250 -1.0 2.0
   45    43    60    71  -0.50650  1.0 3.0
   45    49   -55    56   0.65300  1.0 1.0
   45    49   -55    56  -0.03850 -1.0 2.0
   45    49   -55    56   0.33900  1.0 3.0
   45    49    55    59   0.65300  1.0 1.0
   45    49    55    59  -0.03850 -1.0 2.0
   45    49    55    59   0.33900  1.0 3.0
   45    49    55    61   0.65300  1.0 1.0
   45    49    55    61  -0.03850 -1.0 2.0
   45    49    55    61   0.33900  1.0 3.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    55   0.04550  1.0 1.0
   46    45    49    55   0.83000 -1.0 2.0
   46    45    49    55  -0.04000  1.0 3.0
   49    55    56    57  -0.11250  1.0 3.0
   49    55    56    58  -0.11250  1.0 3.0
   49    55    56    60  -0.95700  1.0 1.0
   49    55    56    60  -0.18200 -1.0 2.0
   49    55    56    60   0.29450  1.0 3.0
   49    55   -59    61  -0.09450  1.0 1.0
   49    55   -59    61  -1.12950 -1.0 2.0
   49    55   -59    61   0.54000  1.0 3.0
   49    55    59    62   0.11950  1.0 1.0
   49    55    59    62   0.20300 -1.0 2.0
   49    55    59    62  -0.70800  1.0 3.0
   49    55    59    65  -0.95700  1.0 1.0
   49    55    59    65  -0.18200 -1.0 2.0
   49    55    59    65   0.29450  1.0 3.0
   49    55   -61    59  -1.11000  1.0 1.0
   49    55   -61    59   0.50250 -1.0 2.0
   49    55   -61    59   0.47450  1.0 3.0
   50    49    55    56   0.30150 -1.0 2.0
   50    49    55    59   0.30150 -1.0 2.0
   50    49    55    61   0.30150 -1.0 2.0
   55    56   -60    43   0.34400  1.0 1.0
   55    56   -60    43   0.09450 -1.0 2.0
   55    56   -60    43   0.11100  1.0 3.0
   55    56    60    69   0.47050  1.0 1.0
   55    56    60    69   0.03900 -1.0 2.0
   55    56    60    69   0.20100  1.0 3.0
   55    56    60    71   0.47050  1.0 1.0
   55    56    60    71   0.03900 -1.0 2.0
   55    56    60    71   0.20100  1.0 3.0
   55    59    62    63   0.30150 -1.0 2.0
   55    59    62    64   0.74550  1.0 1.0
   55    59    62    64  -0.00500 -1.0 2.0
   55    59    65    66   0.15000  1.0 3.0
   55    59    65    67   0.15000  1.0 3.0
   55    59    65    68   0.15000  1.0 3.0
   56    55   -59    61   0.02550  1.0 1.0
   56    55   -59    61  -0.02600 -1.0 2.0
   56    55   -59    61   1.20400  1.0 3.0
   56    55    59    62  -0.95700  1.0 1.0
   56    55    59    62  -0.18200 -1.0 2.0
   56    55    59    62   0.29450  1.0 3.0
   56    55    59    65   0.56750  1.0 1.0
   56    55    59    65  -0.07550 -1.0 2.0
   56    55    59    65   0.20000  1.0 3.0
   56    55   -61    59   0.06250  1.0 1.0
   56    55   -61    59  -0.01100 -1.0 2.0
   56    55   -61    59   0.28050  1.0 3.0
   56    60    69    70   0.15000  1.0 3.0
   56    60    69    41   0.56750  1.0 1.0
   56    60    69    41  -0.07550 -1.0 2.0
   56    60    69    41   0.20000  1.0 3.0
   56    60    69    75   0.56750  1.0 1.0
   56    60    69    75  -0.07550 -1.0 2.0
   56    60    69    75   0.20000  1.0 3.0
   56    60    71    72   0.15000  1.0 3.0
   56    60    71    73   0.15000  1.0 3.0
   56    60    71    74   0.15000  1.0 3.0
   57    56    60    43   0.15000  1.0 3.0
   57    56    60    69   0.15000  1.0 3.0
   57    56    60    71   0.15000  1.0 3.0
   58    56    60    43   0.15000  1.0 3.0
   58    56    60    69   0.15000  1.0 3.0
   58    56    60    71   0.15000  1.0 3.0
   60    43    45    46   7.00000 -1.0 2.0
   60    43   -45    49   7.00000 -1.0 2.0
   60    69   -41    33   0.56750  1.0 1.0
   60    69   -41    33  -0.07550 -1.0 2.0
   60    69   -41    33   0.20000  1.0 3.0
   60    69    41    42   0.15000  1.0 3.0
   60    69    41    44   0.62750  1.0 1.0
   60    69    41    44  -0.30950 -1.0 2.0
   60    69    41    44   0.27300  1.0 3.0
   60    69    75    76   0.15000  1.0 3.0
   60    69    75    77   0.15000  1.0 3.0
   60    69    75    78   0.15000  1.0 3.0
   69    60    71    72   0.15000  1.0 3.0
   69    60    71    73   0.15000  1.0 3.0
   69    60    71    74   0.15000  1.0 3.0
   69    41    44    47  -0.25900  1.0 1.0
   69    41    44    47  -0.47000 -1.0 2.0
   69    41    44    47   0.11750  1.0 3.0
   70    69    41    33   0.15000  1.0 3.0
   70    69    41    42   0.15000  1.0 3.0
   70    69    41    44   0.23400  1.0 3.0
   70    69    75    76   0.15000  1.0 3.0
   70    69    75    77   0.15000  1.0 3.0
   70    69    75    78   0.15000  1.0 3.0
   41    33    38    39   0.62750  1.0 1.0
   41    33    38    39  -0.30950 -1.0 2.0
   41    33    38    39   0.27300  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33   -38    43   0.34400  1.0 1.0
   41    33   -38    43   0.09450 -1.0 2.0
   41    33   -38    43   0.11100  1.0 3.0
   41    69    75    76   0.15000  1.0 3.0
   41    69    75    77   0.15000  1.0 3.0
   41    69    75    78   0.15000  1.0 3.0
   41    44    47    48   3.00000 -1.0 2.0
   41    44    47    51   1.63150  1.0 1.0
   41    44    47    51   2.92000 -1.0 2.0
   42    41    44    47   0.08050  1.0 3.0
   44    47    51    52   0.00000  1.0 1.0
   44    47    51    53   0.00000  1.0 1.0
   44    47    51    54   0.00000  1.0 1.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    53   0.00000  1.0 1.0
   48    47    51    54   0.00000  1.0 1.0
   75    69    41    33   0.56750  1.0 1.0
   75    69    41    33  -0.07550 -1.0 2.0
   75    69    41    33   0.20000  1.0 3.0
   75    69    41    42   0.15000  1.0 3.0
   75    69    41    44   0.62750  1.0 1.0
   75    69    41    44  -0.30950 -1.0 2.0
   75    69    41    44   0.27300  1.0 3.0
   71    60    69    70   0.15000  1.0 3.0
   71    60    69    41   0.56750  1.0 1.0
   71    60    69    41  -0.07550 -1.0 2.0
   71    60    69    41   0.20000  1.0 3.0
   71    60    69    75   0.56750  1.0 1.0
   71    60    69    75  -0.07550 -1.0 2.0
   71    60    69    75   0.20000  1.0 3.0
   59    55    56    57   0.15000  1.0 3.0
   59    55    56    58   0.15000  1.0 3.0
   59    55    56    60   0.07850  1.0 1.0
   59    55    56    60  -0.03950 -1.0 2.0
   59    55    56    60   0.67350  1.0 3.0
   61    55    56    57   0.23400  1.0 3.0
   61    55    56    58   0.23400  1.0 3.0
   61    55    56    60   0.02550  1.0 1.0
   61    55    56    60  -0.02600 -1.0 2.0
   61    55    56    60   1.20400  1.0 3.0
   61    55   -59    62  -0.09450  1.0 1.0
   61    55   -59    62  -1.12950 -1.0 2.0
   61    55   -59    62   0.54000  1.0 3.0
   61    55   -59    65   0.02550  1.0 1.0
   61    55   -59    65  -0.02600 -1.0 2.0
   61    55   -59    65   1.20400  1.0 3.0
   61    59    62    63   0.30150 -1.0 2.0
   61    59    62    64   0.00000  1.0 1.0
   61    59    65    66   0.23400  1.0 3.0
   61    59    65    67   0.23400  1.0 3.0
   61    59    65    68   0.23400  1.0 3.0
   62    59   -61    55  -1.11000  1.0 1.0
   62    59   -61    55   0.50250 -1.0 2.0
   62    59   -61    55   0.47450  1.0 3.0
   62    59    65    66  -0.11250  1.0 3.0
   62    59    65    67  -0.11250  1.0 3.0
   62    59    65    68  -0.11250  1.0 3.0
   65    59   -61    55   0.06250  1.0 1.0
   65    59   -61    55  -0.01100 -1.0 2.0
   65    59   -61    55   0.28050  1.0 3.0
   65    59    62    63   0.30150 -1.0 2.0
   65    59    62    64   0.74550  1.0 1.0
   65    59    62    64  -0.00500 -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
   38    60    43    45   1.10000 -1.0 2.0
   49    46    45    43   1.10000 -1.0 2.0
   45    55    49    50  10.50000 -1.0 2.0
   44    51    47    48  10.50000 -1.0 2.0
   59    64    62    63  10.50000 -1.0 2.0
END
