* LIGAND DATABASE FILE (OPLS2005)
*
001      80    83    151    237     443
    1     0 S   NP   _N1_     1    28.89754    93.81575   -20.40398
    2     1 S   H    _HN1     2     1.02959    97.22595    29.41339
    3     1 S   H    _H1_     3     1.02833    28.84613   141.82630
    4     1 S   H    _H2_     4     1.02776    86.14552   -78.60841
    5     1 S   CT   _CA1     5     1.50123   138.42597   161.64331
    6     5 S   HC   _HA1     6     1.09570   105.23370    49.06781
    7     5 S   CO3  _C1_     7     1.53800   112.42091   -71.15961
    8     7 S   O2Z  _O11     8     1.26367   115.00689   -41.84875
    9     7 S   O2Z  _O12     9     1.26246   114.96418   137.40878
   10     5 S   CT   _CB1    10     1.53101   107.42305   167.05259
   11    10 S   HC   HB11    11     1.09818   109.38342   -49.85217
   12    10 S   HC   HB12    12     1.09825   110.38965    66.73992
   13    10 S   CT   _CG1    13     1.52981   112.66728  -170.96728
   14    13 S   HC   HG11    14     1.09503   110.36312   -62.34212
   15    13 S   HC   HG12    15     1.09641   110.08201    56.78292
   16    13 S   C    _CD1    16     1.51789   112.32275   176.99763
   17    16 S   O    _OE1    17     1.22725   123.20925    -8.51075
   18    16 S   N    _N2_    18     1.38596   111.62741   172.24207
   19    18 S   H    _HN2    19     1.01573   119.02589     0.45757
   20    18 S   CT1  _CA2    20     1.46263   123.46090  -179.17623
   21    20 S   HC   _HA2    21     1.09732   109.42503   -10.79390
   22    20 S   C    _C2_    22     1.53428   108.24544  -126.44445
   23    22 S   O    _O2_    23     1.23005   122.30417  -145.72282
   24    20 S   CT   _CB2    32     1.53431   111.25072   111.33056
   25    24 S   HC   HB21    33     1.09324   109.38735    56.58684
   26    24 S   HC   HB22    34     1.09527   110.37682   174.68721
   27    22 S   N    _N3_    24     1.38537   113.35441    41.63088
   28    27 S   H    _HN3    25     1.01522   118.88858    -0.66027
   29    24 S   S    _SG2    35     1.83105   111.16792   -66.46999
   30    27 S   CT   _CA3    26     1.45444   123.50197   175.16811
   31    30 S   HC   HA31    27     1.09519   109.31643    23.06833
   32    30 S   HC   HA32    28     1.09498   107.10994   140.07602
   33    29 S   CT   _C12    36     1.91349   102.07503   148.55467
   34    30 S   CO3  _C3_    29     1.52911   113.02850  -100.46493
   35    34 S   O2Z  _O31    30     1.26408   115.36496   -45.74931
   36    34 S   O2Z  _O32    31     1.26349   115.01062   135.17231
   37    33 S   CM   _C11    37     1.52395   105.07506    53.85328
   38    37 S   HC   _H12    38     1.08826   117.76871   -94.65765
   39    33 S   CT   _C13    63     1.55476   108.86762   -70.62200
   40    39 S   HC   _H3_    64     1.09693   109.17442    57.52039
   41    37 S   CMA  _C10    39     1.35330   122.91750    86.34383
   42    41 S   OM   _O35    40     1.26123   129.44392   177.88715
   43    39 S   NT   _N4_    65     1.48524   110.08399   -58.88781
   44    41 S   CM   _C9_    41     1.48963   116.96597    -3.26483
   45    43 S   CT   _C5_    66     1.46578   115.36715   -57.23538
   46    45 S   HC   _H7_    67     1.09703   110.70590   -75.12181
   47    45 S   HC   _H8_    68     1.09751   109.25145   168.56789
   48    43 S   CT   _C4_    72     1.45892   113.79345   172.26607
   49    48 S   HC   _H4_    73     1.09539   110.94552   -50.47560
   50    48 S   HC   _H5_    74     1.09517   110.14693  -168.11572
   51    48 S   HC   _H6_    75     1.09460   112.78039    71.60062
   52    44 S   CM   _C8_    42     1.35382   119.68037    22.34108
   53    52 S   HC   _H11    43     1.08472   121.39270  -179.02261
   54    58 S   CT   _C6_    69     1.55241   108.72375    56.97204
   55    54 S   HC   _H9_    70     1.09688   110.95930   -67.07370
   56    54 S   HC   _H10    71     1.09817   111.03767   176.55707
   57    44 S   OS   _O36    76     1.38688   115.30883  -156.42259
   58    33 S   CT   _C7_    44     1.58488   112.38364   172.08513
   59    57 S   CT   _C22    77     1.42117   118.01094  -179.57896
   60    59 S   HC   _H21    78     1.09410   107.86731   179.18843
   61    59 S   HC   _H22    79     1.09489   111.04602    61.25140
   62    59 S   HC   _H23    80     1.09480   111.00604   -62.91562
   63    58 S   CA   _C16    45     1.56052   112.06621   173.74113
   64    63 S   CA   _C15    46     1.41051   119.80653   -22.65943
   65    64 S   CA   _C20    47     1.40578   120.20075   179.09713
   66    65 S   HA   _H16    48     1.08824   119.91476  -178.54626
   67    64 S   CT   _C14    60     1.50715   122.39105    -0.80527
   68    67 S   HC   _H13    61     1.09857   107.26577   110.76081
   69    67 S   HC   _H14    62     1.09572   109.44319  -135.21676
   70    65 S   CA   _C19    49     1.39324   121.28766     2.07283
   71    70 S   HA   _H15    50     1.08495   118.00726   179.76427
   72    70 S   CA   _C18    51     1.39028   119.72338     0.84742
   73    63 S   CA   _C17    52     1.41359   122.92036   161.02007
   74    72 S   OS   _O33    55     1.37199   125.32482   178.28685
   75    73 S   OH   _O34    53     1.37440   119.72779     1.96941
   76    75 S   HO   _H20    54     0.97359   107.56542  -178.69629
   77    74 S   CT   _C21    56     1.42272   116.95828     1.39634
   78    77 S   HC   _H17    57     1.09427   107.73456   179.32856
   79    77 S   HC   _H18    58     1.09500   111.15905    61.57900
   80    77 S   HC   _H19    59     1.09495   111.11341   -62.95271
  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  12   5   4   3
  22   2   1   1  13   5  19   8   7   3  15  10  13   6   5   5
   2   1   1  10   4   6   3   2   5   7   3   2   1   1  12  10
   9   4   4   1   1   6   3   8   4   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    58    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    52    58    63    67    39    40    43    54  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    44    52    53    58    63    64    73    67    68    69    39    40    43    45    54    55    56    48  
   35    36  
   36  
    0  
   38    41    42    44    52    58    63    67    39    40    43    54    57  
   41    42    44    58    39  
   40    43    45    46    47    54    48    49    50    51    41    52    58    63    64    65    67    68    69  
   43    45    48    58    64    67    68    69  
   42    44    52    53    58    57    59  
   44    52    57  
   45    46    47    54    55    56    48    49    50    51    58    64    67    68    69  
   52    53    58    63    54    57    59    60    61    62  
   46    47    54    55    56    48    49    50    51    52    58    63    67  
   47    54    55    56    48    58  
   54    55    56    48    58  
   49    50    51    54    67  
   50    51  
   51  
    0  
   53    58    63    64    73    54    55    56    57    59  
   58    63    54    57  
   55    56    58    63    64    73  
   56    58    63  
   58    63  
   59    60    61    62    58  
   63    64    65    72    73    75    67  
   60    61    62  
   61    62  
   62  
    0  
   64    65    66    70    72    73    75    76    74    67    68    69  
   65    66    70    71    72    73    75    67    68    69  
   66    70    71    72    73    74    67    68    69  
   70    71    72    67  
   68    69    70    73  
   69  
    0  
   71    72    73    75    74    77  
   72    73    74  
   73    75    76    74    77    78    79    80  
   75    76    74    77  
   77    78    79    80    75  
   76  
    0  
   78    79    80  
   79    80  
   80  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   44   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   58   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    58   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    41   465.000  1.376
   41    42   745.000  1.250
   41    44   465.000  1.376
   44    52   549.000  1.340
   44    57   440.000  1.360
   52    53   340.000  1.080
   52    58   317.000  1.510
   58    63   317.000  1.510
   58    54   268.000  1.529
   63    64   469.000  1.400
   63    73   469.000  1.400
   64    65   469.000  1.400
   64    67   317.000  1.510
   65    66   367.000  1.080
   65    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   469.000  1.400
   72    74   450.000  1.364
   73    75   450.000  1.364
   75    76   553.000  0.945
   74    77   320.000  1.410
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    39   268.000  1.529
   39    40   340.000  1.090
   39    43   382.000  1.448
   43    45   382.000  1.448
   43    48   382.000  1.448
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   57    59   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    58    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    58    52    70.00000  112.02700
   33    58    63    70.00000  112.17500
   33    58    54    58.35000  112.70000
   33    39    67    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    56.20000  109.47000
   37    41    42    65.00000  137.10300
   37    41    44    70.00000  123.01800
   41    37    38    40.00000  120.50800
   41    44    52    70.00000  117.34000
   41    44    57    80.00000  120.01400
   44    41    42    65.00000  137.10300
   44    52    53    35.00000  120.00000
   44    52    58    70.00000  124.00000
   44    57    59    90.00000  111.18400
   52    58    63    70.00000  112.99600
   52    58    54    70.00000  112.02700
   58    33    37    70.00000  112.02700
   58    52    53    35.00000  117.00000
   58    63    64    70.00000  120.00000
   58    63    73    70.00000  120.00000
   58    54    45    58.35000  112.70000
   58    54    55    37.50000  110.70000
   58    54    56    37.50000  110.70000
   63    64    65    63.00000  120.00000
   63    64    67    70.00000  120.00000
   63    73    72    63.00000  120.00000
   63    73    75    70.00000  120.00000
   64    65    66    35.00000  120.00000
   64    65    70    63.00000  120.00000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    39    70.00000  112.17500
   65    70    71    35.00000  120.00000
   65    70    72    63.00000  120.00000
   70    65    66    35.00000  120.00000
   70    72    73    63.00000  120.00000
   70    72    74    70.00000  120.00000
   72    70    71    35.00000  120.00000
   72    73    75    70.00000  120.00000
   72    74    77    75.00000  111.00000
   73    63    64    63.00000  120.00000
   73    75    76    35.00000  113.00000
   74    72    73    70.00000  120.00000
   74    77    78    35.00000  109.50000
   74    77    79    35.00000  109.50000
   74    77    80    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   67    64    65    70.00000  120.00000
   67    39    40    37.50000  110.70000
   67    39    43    56.20000  109.47000
   69    67    68    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    58    58.35000  112.70000
   39    67    68    37.50000  110.70000
   39    67    69    37.50000  110.70000
   39    43    45    51.80000  107.20000
   39    43    48    51.80000  107.20000
   43    39    40    35.00000  109.50000
   43    45    46    35.00000  109.50000
   43    45    47    35.00000  109.50000
   43    45    54    56.20000  109.47000
   43    48    49    35.00000  109.50000
   43    48    50    35.00000  109.50000
   43    48    51    35.00000  109.50000
   45    54    55    37.50000  110.70000
   45    54    56    37.50000  110.70000
   47    45    46    33.00000  107.80000
   54    58    63    70.00000  112.17500
   54    45    46    37.50000  110.70000
   54    45    47    37.50000  110.70000
   56    54    55    33.00000  107.80000
   48    43    45    51.80000  107.20000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   57    44    52    80.00000  120.01400
   57    59    60    35.00000  109.50000
   57    59    61    35.00000  109.50000
   57    59    62    35.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    37    38   0.00000  1.0 1.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    58    52   0.56750  1.0 1.0
   29    33    58    52  -0.07550 -1.0 2.0
   29    33    58    52   0.20000  1.0 3.0
   29    33    58    63   0.56750  1.0 1.0
   29    33    58    63  -0.07550 -1.0 2.0
   29    33    58    63   0.20000  1.0 3.0
   29    33    58    54   0.44750  1.0 1.0
   29    33    58    54  -0.17800 -1.0 2.0
   29    33    58    54   0.20200  1.0 3.0
   29    33    39    67   0.44750  1.0 1.0
   29    33    39    67  -0.17800 -1.0 2.0
   29    33    39    67   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    44   7.00000 -1.0 2.0
   33    58    63    64   0.04150 -1.0 2.0
   33    58    63    73   0.04150 -1.0 2.0
   33    58    54    45   0.56750  1.0 1.0
   33    58    54    45  -0.07550 -1.0 2.0
   33    58    54    45   0.20000  1.0 3.0
   33    58    54    55   0.15000  1.0 3.0
   33    58    54    56   0.15000  1.0 3.0
   33    39   -43    45   0.23450  1.0 1.0
   33    39   -43    45   0.02050 -1.0 2.0
   33    39   -43    45   0.25250  1.0 3.0
   33    39    43    48   0.58650  1.0 1.0
   33    39    43    48   0.12600 -1.0 2.0
   33    39    43    48   0.33350  1.0 3.0
   37    33    58    52   0.31000  1.0 1.0
   37    33    58    52   0.14700 -1.0 2.0
   37    33    58    52   0.07550  1.0 3.0
   37    33    58    63   0.21200  1.0 1.0
   37    33    58    63   0.16900 -1.0 2.0
   37    33    58    63  -1.15100  1.0 3.0
   37    33    58    54   0.34400  1.0 1.0
   37    33    58    54   0.09450 -1.0 2.0
   37    33    58    54   0.11100  1.0 3.0
   37    33    39    67   0.34400  1.0 1.0
   37    33    39    67   0.09450 -1.0 2.0
   37    33    39    67   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    43   0.59950  1.0 1.0
   37    33    39    43  -0.21400 -1.0 2.0
   37    33    39    43   0.56200  1.0 3.0
   37    41   -44    52   7.00000 -1.0 2.0
   37    41    44    57   7.00000 -1.0 2.0
   38    37    41    42   7.00000 -1.0 2.0
   38    37    41    44   7.00000 -1.0 2.0
   41    44    52    53   7.00000 -1.0 2.0
   41    44    52    58   7.00000 -1.0 2.0
   41    44    57    59  -2.26850  1.0 1.0
   41    44    57    59   3.39050 -1.0 2.0
   42    41    44    52   7.00000 -1.0 2.0
   42    41    44    57   7.00000 -1.0 2.0
   44    52   -58    33   0.09850  1.0 1.0
   44    52   -58    33   0.15250 -1.0 2.0
   44    52   -58    33  -0.50650  1.0 3.0
   44    52    58    63   1.44450  1.0 1.0
   44    52    58    63   0.06600 -1.0 2.0
   44    52    58    63   0.29250  1.0 3.0
   44    52    58    54   0.09850  1.0 1.0
   44    52    58    54   0.15250 -1.0 2.0
   44    52    58    54  -0.50650  1.0 3.0
   44    57    59    60   0.08050  1.0 3.0
   44    57    59    61   0.08050  1.0 3.0
   44    57    59    62   0.08050  1.0 3.0
   52    44    57    59  -2.26850  1.0 1.0
   52    44    57    59   3.39050 -1.0 2.0
   52    58    63    64   0.18050 -1.0 2.0
   52    58    63    73   0.18050 -1.0 2.0
   52    58    54    45   0.34400  1.0 1.0
   52    58    54    45   0.09450 -1.0 2.0
   52    58    54    45   0.11100  1.0 3.0
   52    58    54    55   0.15000  1.0 3.0
   52    58    54    56   0.15000  1.0 3.0
   53    52    58    33   0.00000  1.0 1.0
   53    52    58    63   0.00000  1.0 1.0
   53    52    58    54   0.00000  1.0 1.0
   58    33    37    38   0.00000  1.0 1.0
   58    33   -37    41   0.09850  1.0 1.0
   58    33   -37    41   0.15250 -1.0 2.0
   58    33   -37    41  -0.50650  1.0 3.0
   58    33    39    67   0.56750  1.0 1.0
   58    33    39    67  -0.07550 -1.0 2.0
   58    33    39    67   0.20000  1.0 3.0
   58    33    39    40   0.15000  1.0 3.0
   58    33    39    43   1.53400  1.0 1.0
   58    33    39    43  -0.09950 -1.0 2.0
   58    33    39    43   0.05700  1.0 3.0
   58    63    64    65   3.62500 -1.0 2.0
   58    63   -64    67   3.62500 -1.0 2.0
   58    63    73    72   3.62500 -1.0 2.0
   58    63    73    75   3.62500 -1.0 2.0
   63    58    54    45  -0.03700  1.0 1.0
   63    58    54    45   0.37200 -1.0 2.0
   63    58    54    45  -0.47300  1.0 3.0
   63    58    54    55   0.43200  1.0 3.0
   63    58    54    56   0.43200  1.0 3.0
   63    64    65    66   3.62500 -1.0 2.0
   63    64    65    70   3.62500 -1.0 2.0
   63    64    67    68   0.00000  1.0 1.0
   63    64    67    69   0.00000  1.0 1.0
   63    64    67    39   0.04150 -1.0 2.0
   63    73    75    76   0.84100 -1.0 2.0
   64    63    73    72   3.62500 -1.0 2.0
   64    63    73    75   3.62500 -1.0 2.0
   64    65    70    71   3.62500 -1.0 2.0
   64    65   -70    72   3.62500 -1.0 2.0
   64    67   -39    33  -0.03700  1.0 1.0
   64    67   -39    33   0.37200 -1.0 2.0
   64    67   -39    33  -0.47300  1.0 3.0
   64    67    39    40   0.43200  1.0 3.0
   64    67    39    43   0.83750  1.0 1.0
   64    67    39    43   0.32200 -1.0 2.0
   64    67    39    43   0.70600  1.0 3.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    69   0.00000  1.0 1.0
   65    64    67    39   0.04150 -1.0 2.0
   65    70    72    73   3.62500 -1.0 2.0
   65    70    72    74   3.62500 -1.0 2.0
   66    65    70    71   3.62500 -1.0 2.0
   66    65    70    72   3.62500 -1.0 2.0
   70    72   -73    63   3.62500 -1.0 2.0
   70    72    73    75   3.62500 -1.0 2.0
   70    72    74    77   1.63200 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    73    75    76   0.84100 -1.0 2.0
   72    74    77    78   0.08050  1.0 3.0
   72    74    77    79   0.08050  1.0 3.0
   72    74    77    80   0.08050  1.0 3.0
   73    63   -64    65   3.62500 -1.0 2.0
   73    63    64    67   3.62500 -1.0 2.0
   73    72    74    77   1.63200 -1.0 2.0
   74    72    73    63   3.62500 -1.0 2.0
   74    72    73    75   3.62500 -1.0 2.0
   67    64    65    66   3.62500 -1.0 2.0
   67    64    65    70   3.62500 -1.0 2.0
   67    39    43    45   0.23450  1.0 1.0
   67    39    43    45   0.02050 -1.0 2.0
   67    39    43    45   0.25250  1.0 3.0
   67    39    43    48   0.58650  1.0 1.0
   67    39    43    48   0.12600 -1.0 2.0
   67    39    43    48   0.33350  1.0 3.0
   68    67    39    33   0.15000  1.0 3.0
   68    67    39    40   0.15000  1.0 3.0
   68    67    39    43   0.15000  1.0 3.0
   69    67    39    33   0.15000  1.0 3.0
   69    67    39    40   0.15000  1.0 3.0
   69    67    39    43   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41   0.09850  1.0 1.0
   39    33    37    41   0.15250 -1.0 2.0
   39    33    37    41  -0.50650  1.0 3.0
   39    33    58    52   0.34400  1.0 1.0
   39    33    58    52   0.09450 -1.0 2.0
   39    33    58    52   0.11100  1.0 3.0
   39    33   -58    63  -0.03700  1.0 1.0
   39    33   -58    63   0.37200 -1.0 2.0
   39    33   -58    63  -0.47300  1.0 3.0
   39    33    58    54   0.56750  1.0 1.0
   39    33    58    54  -0.07550 -1.0 2.0
   39    33    58    54   0.20000  1.0 3.0
   39    43    45    46   0.28000  1.0 3.0
   39    43    45    47   0.28000  1.0 3.0
   39    43   -45    54   0.23450  1.0 1.0
   39    43   -45    54   0.02050 -1.0 2.0
   39    43   -45    54   0.25250  1.0 3.0
   39    43    48    49   0.28000  1.0 3.0
   39    43    48    50   0.28000  1.0 3.0
   39    43    48    51   0.28000  1.0 3.0
   40    39    43    45   0.28000  1.0 3.0
   40    39    43    48   0.28000  1.0 3.0
   43    45   -54    58   1.53400  1.0 1.0
   43    45   -54    58  -0.09950 -1.0 2.0
   43    45   -54    58   0.05700  1.0 3.0
   43    45    54    55   0.15000  1.0 3.0
   43    45    54    56   0.15000  1.0 3.0
   45    43    48    49   0.28000  1.0 3.0
   45    43    48    50   0.28000  1.0 3.0
   45    43    48    51   0.28000  1.0 3.0
   46    45    54    58   0.15000  1.0 3.0
   46    45    54    55   0.15000  1.0 3.0
   46    45    54    56   0.15000  1.0 3.0
   47    45    54    58   0.15000  1.0 3.0
   47    45    54    55   0.15000  1.0 3.0
   47    45    54    56   0.15000  1.0 3.0
   54    58    63    64   0.04150 -1.0 2.0
   54    58    63    73   0.04150 -1.0 2.0
   48    43    45    46   0.28000  1.0 3.0
   48    43    45    47   0.28000  1.0 3.0
   48    43    45    54   0.58650  1.0 1.0
   48    43    45    54   0.12600 -1.0 2.0
   48    43    45    54   0.33350  1.0 3.0
   57    44    52    53   7.00000 -1.0 2.0
   57    44    52    58   7.00000 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   44    42    41    37   1.10000 -1.0 2.0
   41    57    44    52   1.10000 -1.0 2.0
   58    53    52    44   1.10000 -1.0 2.0
   64    73    63    58   4.00000 -1.0 2.0
   65    67    64    63   4.00000 -1.0 2.0
   70    66    65    64   1.10000 -1.0 2.0
   72    71    70    65   1.10000 -1.0 2.0
   73    74    72    70   4.00000 -1.0 2.0
   72    75    73    63   4.00000 -1.0 2.0
END
