* LIGAND DATABASE FILE (OPLS2005)
*
001      85    85    152    226     450
    1     0 S   NP   _N1_     1    30.15336    93.71079   -26.57534
    2     1 S   H    _HN1     2     1.02780   123.20432   -99.06005
    3     1 S   H    _H1_     3     1.02962    82.85714     8.24052
    4     1 S   H    _H2_     4     1.02819    25.03326  -157.05138
    5     1 S   CT   _CA1     5     1.50173   115.04166   117.35044
    6     5 S   HC   _HA1     6     1.09579   105.17171    85.97743
    7     5 S   CO3  _C1_     7     1.53779   112.49413   -34.09549
    8     7 S   O2Z  _O11     8     1.26369   115.00230   -39.80330
    9     7 S   O2Z  _O12     9     1.26252   114.94805   139.16370
   10     5 S   CT   _CB1    10     1.53025   107.30950  -156.15368
   11    10 S   HC   HB11    11     1.09826   109.18000   -50.29707
   12    10 S   HC   HB12    12     1.09769   110.38123    66.19988
   13    10 S   CT   _CG1    13     1.52984   112.83740  -171.55934
   14    13 S   HC   HG11    14     1.09591   110.44703   -67.19774
   15    13 S   HC   HG12    15     1.09661   110.00850    52.12177
   16    13 S   C    _CD1    16     1.51754   112.18919   172.21530
   17    16 S   O    _OE1    17     1.22713   123.28451    -1.69789
   18    16 S   N    _N2_    18     1.38679   111.79471   179.18339
   19    18 S   H    _HN2    19     1.01566   119.04121     2.07735
   20    18 S   CT1  _CA2    20     1.46040   123.15226   178.62941
   21    20 S   HC   _HA2    21     1.09532   109.18344     6.51487
   22    20 S   C    _C2_    22     1.53601   109.33477  -108.53666
   23    22 S   O    _O2_    23     1.23099   122.10458  -149.74066
   24    20 S   CT   _CB2    32     1.53355   111.80627   128.87332
   25    24 S   HC   HB21    33     1.09688   109.33627    65.03947
   26    24 S   HC   HB22    34     1.09536   110.86133  -178.44455
   27    22 S   N    _N3_    24     1.38275   113.96011    37.79138
   28    27 S   H    _HN3    25     1.01565   119.64013    -3.16681
   29    24 S   S    _SG2    35     1.83171   115.52618   -54.34923
   30    27 S   CT   _CA3    26     1.45286   123.15496   176.99952
   31    30 S   HC   HA31    27     1.09552   107.51110   -64.34509
   32    30 S   HC   HA32    28     1.09558   107.97156    52.07403
   33    29 S   CT   _C18    36     1.83919   101.48181   -60.08758
   34    33 S   HC   _H7_    37     1.09191   107.64201    56.17352
   35    30 S   CO3  _C3_    29     1.52945   114.13509   174.08576
   36    35 S   O2Z  _O31    30     1.26368   116.08848    -0.44057
   37    35 S   O2Z  _O32    31     1.26437   114.39743   179.61948
   38    33 S   CM   _C19    38     1.50753   109.92898   -64.42861
   39    38 S   HC   _H22    39     1.08864   117.34962   -60.13698
   40    33 S   CM   _C17    46     1.51216   107.60419   175.13409
   41    40 S   HC   _H21    47     1.09257   114.97381    67.34895
   42    38 S   CM   _C20    40     1.34218   123.79293   120.37360
   43    42 S   HC   _H23    41     1.08681   119.64071    -0.40830
   44    40 S   CMA  _C16    48     1.35608   127.60479  -113.21666
   45    44 S   OM   _O36    49     1.26765   123.73240   179.53648
   46    42 S   CT   _C21    42     1.49217   123.97523   179.56434
   47    46 S   HC   _H24    43     1.09409   109.85109  -121.22498
   48    46 S   HC   _H25    44     1.09422   109.88917   119.70796
   49    46 S   HC   _H26    45     1.09448   112.31313    -0.79081
   50    44 S   OS   _O35    50     1.41474   112.40437     2.40224
   51    50 S   CT   _C14    51     1.43738   114.83746  -131.55676
   52    51 S   HC   _H6_    52     1.09606   112.15554   -31.72767
   53    51 S   CO4  _C15    53     1.52247   106.22428    89.49759
   54    53 S   O    _O33    54     1.22403   124.67341    45.59404
   55    51 S   CT   _C13    69     1.54202   106.92024  -151.46884
   56    55 S   HC   _H19    70     1.09808   108.32743    46.73016
   57    55 S   HC   _H20    71     1.09800   109.81807   -67.92294
   58    53 S   OS   _O34    55     1.36485   109.62657  -136.81680
   59    58 S   CT   _C7_    56     1.45025   118.22971  -169.31515
   60    59 S   HC   _H3_    57     1.09720   110.11251    19.30207
   61    59 S   CT   _C8_    58     1.55393   108.68374   137.62366
   62    61 S   HC   _H4_    59     1.09634   107.72085   178.36793
   63    59 S   CT   _C6_    76     1.53798   106.38612   -99.08713
   64    63 S   HC   _H13    77     1.09748   109.94828   -59.80106
   65    63 S   HC   _H14    78     1.09828   108.43558    54.58883
   66    61 S   CT   _C9_    60     1.55364   115.19022   -62.01507
   67    66 S   HC   _H5_    61     1.09676   109.51806   176.01641
   68    61 S   OH   _O38    74     1.42873   109.61978    62.44199
   69    68 S   HO   _H28    75     0.97219   107.79411   175.88344
   70    63 S   CT   _C5_    79     1.52755   113.74863   176.23860
   71    70 S   HC   _H11    80     1.09598   109.86816   -54.10152
   72    70 S   HC   _H12    81     1.09487   110.44388    64.26734
   73    66 S   CM   _C10    62     1.50743   112.80822    56.80737
   74    73 S   HC   _H15    63     1.08862   115.29926    63.20329
   75    66 S   OH   _O37    72     1.42613   109.09808   -66.82634
   76    75 S   HO   _H27    73     0.97219   107.64892   -62.01306
   77    70 S   CT   _C4_    82     1.52128   111.34286  -175.12661
   78    77 S   HC   _H8_    83     1.09470   110.96616   -60.25192
   79    77 S   HC   _H9_    84     1.09450   110.24970  -180.00000
   80    77 S   HC   _H10    85     1.09447   111.07350    60.27435
   81    73 S   CM   _C11    64     1.34282   125.59215  -108.61105
   82    81 S   HC   _H16    65     1.08701   120.17793    -6.12193
   83    81 S   CT   _C12    66     1.49926   122.90645   165.70049
   84    83 S   HC   _H17    67     1.09666   111.24081    11.66280
   85    83 S   HC   _H18    68     1.09641   108.31753   128.49231
  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   8   5   4   3
  11   6   2   1   1  10   4   6   3   5   4   6   2   3   2   1
   1   9  12   7  10   3   9   5   4  10  16   8  14   7  11   5
   4  10   6   3   1   6   5   4   8   4   2   1   3   2   1   1
   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    40    41    44    45    50  
   38    39    42    40    41    44  
   36    37  
   37  
    0  
   39    42    43    46    47    48    49    40    41    44  
   42    43    46    40  
   41    44    45    50    51    42  
   44    45    50  
   43    46    47    48    49  
   46    47    48    49  
   45    50    51    52    53    55  
   50    51  
   47    48    49  
   48    49  
   49  
    0  
   51    52    53    54    58    83    55    56    57  
   52    53    54    58    59    81    83    84    85    55    56    57  
   53    54    58    83    55    56    57  
   54    58    59    60    61    83    55    56    57    63  
   58    59    55  
   56    57    58    73    81    82    83    84    85  
   57    81    83    84    85  
   81    83    84    85  
   59    60    61    62    66    68    63    64    65    70  
   60    61    62    66    67    73    75    68    69    63    64    65    70    71    72    77  
   61    62    66    68    63    64    65    70  
   62    66    67    73    74    81    75    76    68    69    63    64    65    70  
   66    67    73    75    68    69    63  
   64    65    70    71    72    77    78    79    80    66    68  
   65    70    71    72    77  
   70    71    72    77  
   67    73    74    81    82    83    75    76    68    69  
   73    74    81    75    76    68  
   69    73    75  
    0  
   71    72    77    78    79    80  
   72    77    78    79    80  
   77    78    79    80  
   74    81    82    83    84    85    75    76  
   81    82    83    75  
   76    81  
    0  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84    85  
   83    84    85  
   84    85  
   85  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   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   317.000  1.510
   33    40   317.000  1.510
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    46   317.000  1.510
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   40    41   340.000  1.080
   40    44   465.000  1.376
   44    45   745.000  1.250
   44    50   440.000  1.360
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   317.000  1.522
   51    55   268.000  1.529
   53    54   570.000  1.229
   53    58   214.000  1.327
   58    59   320.000  1.410
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    63   268.000  1.529
   61    62   340.000  1.090
   61    66   268.000  1.529
   61    68   320.000  1.410
   66    67   340.000  1.090
   66    73   317.000  1.510
   66    75   320.000  1.410
   73    74   340.000  1.080
   73    81   549.000  1.340
   81    82   340.000  1.080
   81    83   317.000  1.510
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   75    76   553.000  0.945
   68    69   553.000  0.945
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   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  112.20000
   29    33    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    35.00000  117.00000
   33    40    44    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    70.00000  124.00000
   42    38    39    35.00000  120.00000
   42    46    47    35.00000  109.50000
   42    46    48    35.00000  109.50000
   42    46    49    35.00000  109.50000
   46    42    43    35.00000  117.00000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    44    45    65.00000  137.10300
   40    44    50    80.00000  120.01400
   44    40    41    40.00000  120.50800
   44    50    51    90.00000  111.18400
   50    44    45    65.00000  121.00000
   50    51    52    35.00000  109.50000
   50    51    53    90.00000  108.74100
   50    51    55    50.00000  109.50000
   51    53    54    80.00000  120.40000
   51    53    58    81.00000  111.40000
   51    55    83    58.35000  112.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   53    51    52    35.00000  109.50000
   53    58    59    83.00000  116.90000
   58    53    54    83.00000  123.40000
   58    59    60    35.00000  109.50000
   58    59    61    50.00000  109.50000
   58    59    63    50.00000  109.50000
   59    61    62    37.50000  110.70000
   59    61    66    58.35000  112.70000
   59    61    68    50.00000  109.50000
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   59    63    70    58.35000  112.70000
   61    59    60    37.50000  110.70000
   61    66    67    37.50000  110.70000
   61    66    73    70.00000  112.02700
   61    66    75    50.00000  109.50000
   61    68    69    55.00000  108.50000
   66    61    62    37.50000  110.70000
   66    73    74    35.00000  117.00000
   66    73    81    70.00000  124.00000
   66    75    76    55.00000  108.50000
   73    66    67    35.00000  109.50000
   73    81    82    35.00000  120.00000
   73    81    83    70.00000  124.00000
   81    73    74    35.00000  120.00000
   81    83    84    35.00000  109.50000
   81    83    85    35.00000  109.50000
   81    83    55    70.00000  112.02700
   83    81    82    35.00000  117.00000
   83    55    56    37.50000  110.70000
   83    55    57    37.50000  110.70000
   85    83    84    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    63.00000  111.10000
   55    83    84    37.50000  110.70000
   55    83    85    37.50000  110.70000
   57    55    56    33.00000  107.80000
   75    66    67    35.00000  109.50000
   75    66    73    90.00000  110.39200
   68    61    62    35.00000  109.50000
   68    61    66    50.00000  109.50000
   63    59    60    37.50000  110.70000
   63    59    61    58.35000  112.70000
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    77    58.35000  112.70000
   65    63    64    33.00000  107.80000
   70    63    64    37.50000  110.70000
   70    63    65    37.50000  110.70000
   70    77    78    37.50000  110.70000
   70    77    79    37.50000  110.70000
   70    77    80    37.50000  110.70000
   72    70    71    33.00000  107.80000
   77    70    71    37.50000  110.70000
   77    70    72    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  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   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.00000  1.0 1.0
   29    33    40    44   0.42700  1.0 1.0
   29    33    40    44  -0.70350 -1.0 2.0
   29    33    40    44  -0.43150  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    40    44    45   7.00000 -1.0 2.0
   33    40    44    50   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.33100  1.0 3.0
   34    33    40    44   0.00000  1.0 1.0
   38    33    40    41   0.00000  1.0 1.0
   38    33    40    44  -0.28300  1.0 1.0
   38    33    40    44   0.26700 -1.0 2.0
   38    33    40    44  -0.63300  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    49   0.00000  1.0 1.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   43    42    46    47   0.33100  1.0 3.0
   43    42    46    48   0.33100  1.0 3.0
   43    42    46    49   0.33100  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.28300  1.0 1.0
   40    33    38    42   0.26700 -1.0 2.0
   40    33    38    42  -0.63300  1.0 3.0
   40    44    50    51  -2.26850  1.0 1.0
   40    44    50    51   3.39050 -1.0 2.0
   41    40    44    45   7.00000 -1.0 2.0
   41    40    44    50   7.00000 -1.0 2.0
   44    50    51    52   0.08050  1.0 3.0
   44    50    51    53  -0.48150  1.0 1.0
   44    50    51    53   0.09250 -1.0 2.0
   44    50    51    53  -0.12850  1.0 3.0
   44    50    51    55  -0.46850  1.0 1.0
   44    50    51    55   0.09300 -1.0 2.0
   44    50    51    55  -0.12850  1.0 3.0
   45    44    50    51   2.00000 -1.0 2.0
   50    51    53    54   0.30150 -1.0 2.0
   50    51    53    58   0.40000  1.0 3.0
   50    51    55    83   0.62750  1.0 1.0
   50    51    55    83  -0.30950 -1.0 2.0
   50    51    55    83   0.27300  1.0 3.0
   50    51    55    56   0.23400  1.0 3.0
   50    51    55    57   0.23400  1.0 3.0
   51    53    58    59   1.63150  1.0 1.0
   51    53    58    59   2.92000 -1.0 2.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    58   0.00000  1.0 1.0
   52    51    55    83   0.15000  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   53    51    55    83  -0.95700  1.0 1.0
   53    51    55    83  -0.18200 -1.0 2.0
   53    51    55    83   0.29450  1.0 3.0
   53    51    55    56  -0.11250  1.0 3.0
   53    51    55    57  -0.11250  1.0 3.0
   53    58    59    60   0.08050  1.0 3.0
   53    58    59    61  -0.25900  1.0 1.0
   53    58    59    61  -0.47000 -1.0 2.0
   53    58    59    61   0.11750  1.0 3.0
   53    58    59    63  -0.25900  1.0 1.0
   53    58    59    63  -0.47000 -1.0 2.0
   53    58    59    63   0.11750  1.0 3.0
   54    53    58    59   3.00000 -1.0 2.0
   58    59    61    62   0.23400  1.0 3.0
   58    59    61    66   0.62750  1.0 1.0
   58    59    61    66  -0.30950 -1.0 2.0
   58    59    61    66   0.27300  1.0 3.0
   58    59    61    68   3.69350  1.0 1.0
   58    59    61    68  -1.82950 -1.0 2.0
   58    59    63    64   0.23400  1.0 3.0
   58    59    63    65   0.23400  1.0 3.0
   58    59    63    70   0.62750  1.0 1.0
   58    59    63    70  -0.30950 -1.0 2.0
   58    59    63    70   0.27300  1.0 3.0
   59    61    66    67   0.15000  1.0 3.0
   59    61    66    73   0.34400  1.0 1.0
   59    61    66    73   0.09450 -1.0 2.0
   59    61    66    73   0.11100  1.0 3.0
   59    61    66    75   0.86500  1.0 1.0
   59    61    66    75  -0.17500 -1.0 2.0
   59    61    66    75   0.20800  1.0 3.0
   59    61    68    69  -0.11600  1.0 1.0
   59    61    68    69  -0.09450 -1.0 2.0
   59    61    68    69   0.21250  1.0 3.0
   59    63    70    71   0.15000  1.0 3.0
   59    63    70    72   0.15000  1.0 3.0
   59    63    70    77   0.56750  1.0 1.0
   59    63    70    77  -0.07550 -1.0 2.0
   59    63    70    77   0.20000  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    66   0.15000  1.0 3.0
   60    59    61    68   0.23400  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    65   0.15000  1.0 3.0
   60    59    63    70   0.15000  1.0 3.0
   61    59    63    64   0.15000  1.0 3.0
   61    59    63    65   0.15000  1.0 3.0
   61    59    63    70   0.56750  1.0 1.0
   61    59    63    70  -0.07550 -1.0 2.0
   61    59    63    70   0.20000  1.0 3.0
   61    66    73    74   0.00000  1.0 1.0
   61    66    73    81   0.09850  1.0 1.0
   61    66    73    81   0.15250 -1.0 2.0
   61    66    73    81  -0.50650  1.0 3.0
   61    66    75    76  -0.11600  1.0 1.0
   61    66    75    76  -0.09450 -1.0 2.0
   61    66    75    76   0.21250  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    73   0.15000  1.0 3.0
   62    61    66    75   0.23400  1.0 3.0
   62    61    68    69   0.19450  1.0 3.0
   66    61    68    69  -0.11600  1.0 1.0
   66    61    68    69  -0.09450 -1.0 2.0
   66    61    68    69   0.21250  1.0 3.0
   66    73    81    82   7.00000 -1.0 2.0
   66    73    81    83   7.00000 -1.0 2.0
   67    66    73    74   0.33100  1.0 3.0
   67    66    73    81   0.00000  1.0 1.0
   67    66    75    76   0.19450  1.0 3.0
   73    66    75    76  -0.07800  1.0 1.0
   73    66    75    76  -0.21500 -1.0 2.0
   73    66    75    76  -0.03150  1.0 3.0
   73    81    83    84   0.00000  1.0 1.0
   73    81    83    85   0.00000  1.0 1.0
   73    81    83    55   0.09850  1.0 1.0
   73    81    83    55   0.15250 -1.0 2.0
   73    81    83    55  -0.50650  1.0 3.0
   74    73    81    82   7.00000 -1.0 2.0
   74    73    81    83   7.00000 -1.0 2.0
   81    83    55    51   0.34400  1.0 1.0
   81    83    55    51   0.09450 -1.0 2.0
   81    83    55    51   0.11100  1.0 3.0
   81    83    55    56   0.15000  1.0 3.0
   81    83    55    57   0.15000  1.0 3.0
   82    81    83    84   0.33100  1.0 3.0
   82    81    83    85   0.33100  1.0 3.0
   82    81    83    55   0.00000  1.0 1.0
   84    83    55    51   0.15000  1.0 3.0
   84    83    55    56   0.15000  1.0 3.0
   84    83    55    57   0.15000  1.0 3.0
   85    83    55    51   0.15000  1.0 3.0
   85    83    55    56   0.15000  1.0 3.0
   85    83    55    57   0.15000  1.0 3.0
   55    51    53    54   0.30150 -1.0 2.0
   55    51    53    58   0.36750  1.0 3.0
   75    66    73    74   0.00000  1.0 1.0
   75    66    73    81   0.67800  1.0 1.0
   75    66    73    81   0.47050 -1.0 2.0
   75    66    73    81  -0.62500  1.0 3.0
   68    61    66    67   0.23400  1.0 3.0
   68    61    66    73   1.05650  1.0 1.0
   68    61    66    73   0.15600 -1.0 2.0
   68    61    66    73   0.53150  1.0 3.0
   68    61    66    75   3.75450  1.0 1.0
   63    59    61    62   0.15000  1.0 3.0
   63    59    61    66   0.56750  1.0 1.0
   63    59    61    66  -0.07550 -1.0 2.0
   63    59    61    66   0.20000  1.0 3.0
   63    59    61    68   0.86500  1.0 1.0
   63    59    61    68  -0.17500 -1.0 2.0
   63    59    61    68   0.20800  1.0 3.0
   63    70    77    78   0.15000  1.0 3.0
   63    70    77    79   0.15000  1.0 3.0
   63    70    77    80   0.15000  1.0 3.0
   64    63    70    71   0.15000  1.0 3.0
   64    63    70    72   0.15000  1.0 3.0
   64    63    70    77   0.15000  1.0 3.0
   65    63    70    71   0.15000  1.0 3.0
   65    63    70    72   0.15000  1.0 3.0
   65    63    70    77   0.15000  1.0 3.0
   71    70    77    78   0.15000  1.0 3.0
   71    70    77    79   0.15000  1.0 3.0
   71    70    77    80   0.15000  1.0 3.0
   72    70    77    78   0.15000  1.0 3.0
   72    70    77    79   0.15000  1.0 3.0
   72    70    77    80   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42  15.00000 -1.0 2.0
   46    43    42    38  15.00000 -1.0 2.0
   33    41    40    44  15.00000 -1.0 2.0
   45    50    44    40  15.00000 -1.0 2.0
   51    58    53    54  10.50000 -1.0 2.0
   66    74    73    81   1.10000 -1.0 2.0
   83    82    81    73   1.10000 -1.0 2.0
END
