* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    150    223     429
    1     0 S   NP   _N1_     1    28.06498    95.55311   -23.34983
    2     1 S   H    _HN1     2     1.02777   104.16303  -108.91336
    3     1 S   H    _H1_     3     1.02957    82.34726    -1.85065
    4     1 S   H    _H2_     4     1.02835    28.16275   149.55484
    5     1 S   CT   _CA1     5     1.50123   134.02934   109.19767
    6     5 S   HC   _HA1     6     1.09575   105.22238    78.25554
    7     5 S   CO3  _C1_     7     1.53788   112.35415   -41.94469
    8     7 S   O2Z  _O11     8     1.26364   115.00071   -44.32378
    9     7 S   O2Z  _O12     9     1.26236   114.93139   134.79418
   10     5 S   CT   _CB1    10     1.53098   107.42254  -163.83997
   11    10 S   HC   HB11    11     1.09826   109.34137   -50.59893
   12    10 S   HC   HB12    12     1.09816   110.42762    65.96015
   13    10 S   CT   _CG1    13     1.53012   112.65784  -171.67161
   14    13 S   HC   HG11    14     1.09596   110.48090   -64.10717
   15    13 S   HC   HG12    15     1.09656   109.92864    55.08693
   16    13 S   C    _CD1    16     1.51837   112.32777   175.46007
   17    16 S   O    _OE1    17     1.22746   123.29009    -0.25334
   18    16 S   N    _N2_    18     1.38550   111.67846   179.79064
   19    18 S   H    _HN2    19     1.01545   119.06615     4.48511
   20    18 S   CT1  _CA2    20     1.45859   122.92635   178.23198
   21    20 S   HC   _HA2    21     1.09714   108.98857    24.37114
   22    20 S   C    _C2_    22     1.53031   106.88489   -92.76074
   23    22 S   O    _O2_    23     1.23017   123.00861   -23.83785
   24    20 S   CT   _CB2    32     1.53261   112.33877   147.56943
   25    24 S   HC   HB21    33     1.09487   109.60924    58.12670
   26    24 S   HC   HB22    34     1.09380   109.37680   176.62142
   27    22 S   N    _N3_    24     1.38504   112.76382   158.82110
   28    27 S   H    _HN3    25     1.01680   120.39245    -2.53080
   29    24 S   S    _SG2    35     1.82873   111.40287   -62.24562
   30    27 S   CT   _CA3    26     1.45358   122.26720   178.73669
   31    30 S   HC   HA31    27     1.09562   107.88575   -52.27462
   32    30 S   HC   HA32    28     1.09559   107.51669    63.95580
   33    29 S   CT   _C11    36     1.87034   101.32636  -170.05630
   34    30 S   CO3  _C3_    29     1.52825   114.49067  -174.59949
   35    34 S   O2Z  _O31    30     1.26294   116.09721    -7.67263
   36    34 S   O2Z  _O32    31     1.26458   114.38803   172.39104
   37    33 S   CM   _C8_    37     1.55382   111.37618    61.92190
   38    33 S   CT   _C12    80     1.54383   107.10384  -174.60315
   39    38 S   HC   _H11    81     1.09799   111.49846    63.89657
   40    38 S   HC   _H12    82     1.09393   113.64250   -56.91339
   41    38 S   HC   _H13    83     1.09598   110.88528  -177.78857
   42    37 S   CT   _C7_    38     1.55451   117.24560  -119.15833
   43    42 S   HC   _H3_    39     1.09984   105.49079   131.46609
   44    37 S   CMA  _C9_    73     1.37864   123.43001    60.16492
   45    44 S   OM   _O33    74     1.26900   126.26621     0.69012
   46    42 S   CA   _C13    40     1.52493   112.47432  -110.78494
   47    42 S   CM   _C6_    52     1.51290   115.52375    15.86742
   48    44 S   OS   _O34    75     1.42073   111.86037  -177.30078
   49    46 S   CA   _C14    41     1.41945   122.46929    58.99285
   50    49 S   HA   _H14    42     1.08942   118.86457    -0.12354
   51    47 S   CM   _C5_    53     1.34221   122.45616   -19.24823
   52    47 S   CO4  _C19    60     1.48040   117.19154   162.37173
   53    52 S   O    _O36    61     1.22075   124.23964   112.47485
   54    48 S   CT   _C10    76     1.42758   114.35152  -140.82053
   55    54 S   HC   _H7_    77     1.09405   107.75887   171.00282
   56    54 S   HC   _H8_    78     1.09539   111.08330    52.85650
   57    54 S   HC   _H9_    79     1.09469   111.04679   -71.07429
   58    49 S   CA   _C15    43     1.42014   124.23897   179.48642
   59    58 S   HA   _H15    44     1.08932   118.23097   179.76097
   60    33 S   NE   _N4_    54     1.46016   106.47833   -61.96470
   61    60 S   H    _H10    55     1.01616   115.65747   -59.23556
   62    51 S   CT   _C4_    56     1.50623   125.02071  -177.86824
   63    62 S   HC   _H4_    57     1.09511   110.00080   112.33275
   64    62 S   HC   _H5_    58     1.09287   113.69721    -8.86204
   65    62 S   HC   _H6_    59     1.09598   110.12821  -128.49255
   66    52 S   OS   _O37    62     1.35763   108.08937   -67.82379
   67    58 S   CA   _C16    45     1.40304   123.19923    -0.43251
   68    67 S   HA   _H16    46     1.08231   122.42806  -179.91844
   69    66 S   CT   _C20    63     1.44113   117.18029  -179.56524
   70    69 S   HC   _H17    64     1.09669   110.05432    37.89529
   71    67 S   CB   _C17    47     1.40501   114.25512    -0.33338
   72    69 S   CT   _C21    65     1.52277   107.13770   156.01218
   73    72 S   HC   _H18    66     1.09538   110.95689    59.07763
   74    72 S   HC   _H19    67     1.09413   111.37705  -179.64723
   75    72 S   HC   _H20    68     1.09539   110.34019   -58.94109
   76    69 S   CT   _C22    69     1.52366   109.54428   -83.64183
   77    76 S   HC   _H21    70     1.09551   110.91757   -56.74788
   78    76 S   HC   _H22    71     1.09427   111.20098  -177.81448
   79    76 S   HC   _H23    72     1.09484   110.87120    61.59842
   80    46 S   CB   _C18    48     1.41769   124.76606  -122.76121
   81    80 S   N5A  _N5_    49     1.34034   129.40714     0.50706
   82    81 S   OA   _O35    50     1.38131   106.23333   179.83449
   83    71 S   N5A  _N6_    51     1.33883   128.95929  -179.49410
  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  11   5   4   3
  16   2   1   1  18   8   3   2   1  18   7   9   2  13  13   4
   8   4   9   8   2   3   2   1   1   6   3   5   1   3   2   1
   1  10   6   3   9   8   4   7   3   2   1   3   2   1   1   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    60    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    51    60    61    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    46    47    51    60    61    62    44    45    48    38    39    40    41  
   35    36  
   36  
    0  
   42    43    46    49    80    47    51    60    61    52    44    45    48    54    38    39    40    41  
   39    40    41    42    44    51    60    61  
   40    41    60  
   41    60  
   60  
   43    46    49    50    58    71    80    81    47    51    60    62    52    53    66    44    45    48  
   46    49    80    47    51    52    44  
   45    48    54    55    56    57    46    47    60  
   48    54  
   49    50    58    59    67    71    80    81    82    83    47    51    52  
   51    60    61    62    63    64    65    52    53    66    69    49    80  
   54    55    56    57  
   50    58    59    67    68    71    80    81  
   58    59    67    80  
   60    61    62    63    64    65    52    53    66  
   53    66    69    70    72    76    60    62  
   66    69  
   55    56    57  
   56    57  
   57  
    0  
   59    67    68    71    80    83  
   67    68    71  
   61    62    63    64    65  
   62  
   63    64    65  
   64    65  
   65  
    0  
   69    70    72    73    74    75    76    77    78    79  
   68    71    80    81    82    83  
   71    80    83  
   70    72    73    74    75    76    77    78    79  
   72    73    74    75    76    77    78    79  
   80    81    82    83  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83  
   82    83  
   83  
    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   0.402800   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   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   3.5500   0.0700  -0.344200   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5500   0.0700  -0.074000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.155200   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.074000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.155200   1.3810   1.2100   0.030040813   0.268726247
   60   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   61   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5500   0.0700  -0.476100   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.246900   1.3810   1.2100   0.030040813   0.268726247
   69   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5500   0.0700   0.522500   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700   0.522500   2.5000   1.7750   0.001000000  -0.843144165
   81   3.2800   0.1700  -0.399000   1.8000   1.6000   0.001000000  -0.511443539
   82   3.0000   0.1700   0.049000   1.7000   1.5000   0.001000000  -0.126889456
   83   3.2800   0.1700  -0.399000   1.8000   1.6000   0.001000000  -0.511443539
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    60   382.000  1.448
   33    38   268.000  1.529
   37    42   317.000  1.510
   37    44   465.000  1.376
   42    43   340.000  1.090
   42    46   317.000  1.510
   42    47   317.000  1.510
   46    49   469.000  1.400
   46    80   475.000  1.379
   49    50   367.000  1.080
   49    58   469.000  1.400
   58    59   367.000  1.080
   58    67   469.000  1.400
   67    68   367.000  1.080
   67    71   475.000  1.379
   71    80   400.000  1.418
   71    83   515.000  1.335
   80    81   515.000  1.335
   81    82   462.000  1.399
   82    83   462.000  1.399
   47    51   549.000  1.340
   47    52   320.000  1.462
   51    60   425.000  1.378
   51    62   317.000  1.510
   60    61   434.000  1.010
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   52    53   570.000  1.229
   52    66   214.000  1.327
   66    69   320.000  1.410
   69    70   340.000  1.090
   69    72   268.000  1.529
   69    76   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   44    45   745.000  1.250
   44    48   440.000  1.360
   48    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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    60    80.00000  108.62000
   29    33    38    75.00000  111.63000
   33    37    42    65.00000  117.92700
   33    37    44    70.00000  124.00000
   33    60    51    50.00000  121.00000
   33    60    61    35.00000  112.50000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    35.00000  109.50000
   37    42    46    70.00000  112.99600
   37    42    47    70.00000  110.12100
   37    44    45    65.00000  137.10300
   37    44    48    80.00000  120.01400
   42    46    49    70.00000  120.00000
   42    46    80    70.00000  120.00000
   42    47    51    70.00000  124.00000
   42    47    52    65.00000  116.34900
   46    42    43    35.00000  109.50000
   46    49    50    35.00000  120.00000
   46    49    58    63.00000  120.00000
   46    80    71    65.00000  118.98700
   46    80    81    60.00000  134.84400
   49    58    59    35.00000  120.00000
   49    58    67    63.00000  120.00000
   58    49    50    35.00000  120.00000
   58    67    68    35.00000  120.00000
   58    67    71    70.00000  117.01800
   67    58    59    35.00000  120.00000
   67    71    80    65.00000  118.98700
   67    71    83    60.00000  134.84400
   71    67    68    40.00000  121.44600
   71    80    81    80.00000  113.57000
   71    83    82   120.00000  103.45200
   80    46    49    70.00000  117.01800
   80    81    82   120.00000  103.45200
   81    82    83   120.00000  111.70000
   83    71    80    80.00000  113.57000
   47    42    43    35.00000  109.50000
   47    42    46    70.00000  112.99600
   47    51    60    70.00000  124.03900
   47    51    62    70.00000  124.00000
   47    52    53    80.00000  123.72100
   47    52    66    90.00000  111.29400
   51    60    61    35.00000  114.50000
   51    62    63    35.00000  109.50000
   51    62    64    35.00000  109.50000
   51    62    65    35.00000  109.50000
   60    33    37    80.00000  112.42400
   62    51    60    75.00000  116.24600
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   52    47    51    65.00000  118.96000
   52    66    69    83.00000  116.90000
   66    52    53    83.00000  123.40000
   66    69    70    35.00000  109.50000
   66    69    72    50.00000  109.50000
   66    69    76    50.00000  109.50000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    37.50000  110.70000
   69    76    77    37.50000  110.70000
   69    76    78    37.50000  110.70000
   69    76    79    37.50000  110.70000
   72    69    70    37.50000  110.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    69    70    37.50000  110.70000
   76    69    72    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   44    37    42    70.00000  124.00000
   44    48    54    90.00000  111.18400
   48    44    45    65.00000  121.00000
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    60    80.00000  111.61500
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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    60   0.01700  1.0 1.0
   24    29    33    60  -0.23550 -1.0 2.0
   24    29    33    60   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    37    44   0.42700  1.0 1.0
   29    33    37    44  -0.70350 -1.0 2.0
   29    33    37    44  -0.43150  1.0 3.0
   29    33    60    51  -0.12500  1.0 1.0
   29    33    60    51  -0.12500 -1.0 2.0
   29    33    60    51   0.25000  1.0 3.0
   29    33    60    61  -0.12500  1.0 1.0
   29    33    60    61  -0.12500 -1.0 2.0
   29    33    60    61   0.25000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    43   0.34800  1.0 3.0
   33    37    42    46   0.09700  1.0 1.0
   33    37    42    46   0.15600 -1.0 2.0
   33    37    42    46  -0.50800  1.0 3.0
   33    37    42    47   0.09700  1.0 1.0
   33    37    42    47   0.15600 -1.0 2.0
   33    37    42    47  -0.50800  1.0 3.0
   33    37    44    45   7.00000 -1.0 2.0
   33    37    44    48   7.00000 -1.0 2.0
   37    33    60    51  -0.12500  1.0 1.0
   37    33    60    51  -0.12500 -1.0 2.0
   37    33    60    51   0.25000  1.0 3.0
   37    33    60    61  -0.12500  1.0 1.0
   37    33    60    61  -0.12500 -1.0 2.0
   37    33    60    61   0.25000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42    46    49   0.18050 -1.0 2.0
   37    42    46    80   0.18050 -1.0 2.0
   37    42   -47    51  -0.28300  1.0 1.0
   37    42   -47    51   0.26700 -1.0 2.0
   37    42   -47    51  -0.63300  1.0 3.0
   37    42    47    52   0.09700  1.0 1.0
   37    42    47    52   0.15600 -1.0 2.0
   37    42    47    52  -0.50800  1.0 3.0
   37    44    48    54  -2.26850  1.0 1.0
   37    44    48    54   3.39050 -1.0 2.0
   42    37    44    45   7.00000 -1.0 2.0
   42    37    44    48   7.00000 -1.0 2.0
   42    46    49    50   3.62500 -1.0 2.0
   42    46    49    58   3.62500 -1.0 2.0
   42    46    80    71   3.62500 -1.0 2.0
   42    46    80    81   3.62500 -1.0 2.0
   42    47    51    60   7.00000 -1.0 2.0
   42    47    51    62   7.00000 -1.0 2.0
   42    47    52    53  -0.64400  1.0 1.0
   42    47    52    53   0.26850 -1.0 2.0
   42    47    52    66  -0.15000  1.0 1.0
   42    47    52    66   0.89550 -1.0 2.0
   42    47    52    66  -0.06900  1.0 3.0
   43    42    46    49   0.00000  1.0 1.0
   43    42    46    80   0.00000  1.0 1.0
   43    42    47    51   0.00000  1.0 1.0
   43    42    47    52   0.15000  1.0 3.0
   46    42    47    51   1.44450  1.0 1.0
   46    42    47    51   0.06600 -1.0 2.0
   46    42    47    51   0.29250  1.0 3.0
   46    42    47    52   0.09700  1.0 1.0
   46    42    47    52   0.15600 -1.0 2.0
   46    42    47    52  -0.50800  1.0 3.0
   46    49    58    59   3.62500 -1.0 2.0
   46    49    58    67   3.62500 -1.0 2.0
   46    80    81    82   3.62500 -1.0 2.0
   49    46    80    71   3.62500 -1.0 2.0
   49    46    80    81   3.62500 -1.0 2.0
   49    58    67    68   3.62500 -1.0 2.0
   49    58   -67    71   3.62500 -1.0 2.0
   50    49    58    59   3.62500 -1.0 2.0
   50    49    58    67   3.62500 -1.0 2.0
   58    67    71    80   3.62500 -1.0 2.0
   58    67    71    83   3.62500 -1.0 2.0
   59    58    67    68   3.62500 -1.0 2.0
   59    58    67    71   3.62500 -1.0 2.0
   67    71   -80    46   3.62500 -1.0 2.0
   67    71    80    81   3.62500 -1.0 2.0
   67    71    83    82   3.62500 -1.0 2.0
   68    67    71    80   3.62500 -1.0 2.0
   68    67    71    83   3.62500 -1.0 2.0
   71    80   -81    82   3.62500 -1.0 2.0
   80    46    49    50   3.62500 -1.0 2.0
   80    46   -49    58   3.62500 -1.0 2.0
   80    71   -83    82   3.62500 -1.0 2.0
   80    81   -82    83   3.62500 -1.0 2.0
   81    82   -83    71   3.62500 -1.0 2.0
   83    71    80    46   3.62500 -1.0 2.0
   83    71   -80    81   3.62500 -1.0 2.0
   47    42    46    49   0.18050 -1.0 2.0
   47    42    46    80   0.18050 -1.0 2.0
   47    51   -60    33  -0.54700  1.0 1.0
   47    51   -60    33   1.23000 -1.0 2.0
   47    51    60    61   1.00000 -1.0 2.0
   47    51    62    63   0.00000  1.0 1.0
   47    51    62    64   0.00000  1.0 1.0
   47    51    62    65   0.00000  1.0 1.0
   47    52    66    69   2.00000 -1.0 2.0
   51    47    52    53   1.00000 -1.0 2.0
   51    47    52    66  -0.56150  1.0 1.0
   51    47    52    66   2.19150 -1.0 2.0
   60    33   -37    42   0.09700  1.0 1.0
   60    33   -37    42   0.15600 -1.0 2.0
   60    33   -37    42  -0.50800  1.0 3.0
   60    33    37    44   0.62150  1.0 1.0
   60    33    37    44   0.42850 -1.0 2.0
   60    33    37    44  -0.68200  1.0 3.0
   60    33    38    39   0.22950  1.0 3.0
   60    33    38    40   0.22950  1.0 3.0
   60    33    38    41   0.22950  1.0 3.0
   60    51    62    63  -0.18050  1.0 3.0
   60    51    62    64  -0.18050  1.0 3.0
   60    51    62    65  -0.18050  1.0 3.0
   62    51    60    33   1.00000 -1.0 2.0
   62    51    60    61   2.40850 -1.0 2.0
   52    47    51    60   7.00000 -1.0 2.0
   52    47    51    62   7.00000 -1.0 2.0
   52    66    69    70   0.08050  1.0 3.0
   52    66    69    72  -0.25900  1.0 1.0
   52    66    69    72  -0.47000 -1.0 2.0
   52    66    69    72   0.11750  1.0 3.0
   52    66    69    76  -0.25900  1.0 1.0
   52    66    69    76  -0.47000 -1.0 2.0
   52    66    69    76   0.11750  1.0 3.0
   53    52    66    69   3.00000 -1.0 2.0
   66    69    72    73   0.23400  1.0 3.0
   66    69    72    74   0.23400  1.0 3.0
   66    69    72    75   0.23400  1.0 3.0
   66    69    76    77   0.23400  1.0 3.0
   66    69    76    78   0.23400  1.0 3.0
   66    69    76    79   0.23400  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    75   0.15000  1.0 3.0
   70    69    76    77   0.15000  1.0 3.0
   70    69    76    78   0.15000  1.0 3.0
   70    69    76    79   0.15000  1.0 3.0
   72    69    76    77   0.15000  1.0 3.0
   72    69    76    78   0.15000  1.0 3.0
   72    69    76    79   0.15000  1.0 3.0
   76    69    72    73   0.15000  1.0 3.0
   76    69    72    74   0.15000  1.0 3.0
   76    69    72    75   0.15000  1.0 3.0
   44    37    42    43   0.00000  1.0 1.0
   44    37    42    46   1.44450  1.0 1.0
   44    37    42    46   0.06600 -1.0 2.0
   44    37    42    46   0.29250  1.0 3.0
   44    37    42    47  -0.28300  1.0 1.0
   44    37    42    47   0.26700 -1.0 2.0
   44    37    42    47  -0.63300  1.0 3.0
   44    48    54    55   0.08050  1.0 3.0
   44    48    54    56   0.08050  1.0 3.0
   44    48    54    57   0.08050  1.0 3.0
   45    44    48    54   2.00000 -1.0 2.0
   38    33    37    42   0.46850  1.0 1.0
   38    33    37    42   0.08550 -1.0 2.0
   38    33    37    42   0.09800  1.0 3.0
   38    33    37    44   0.09850  1.0 1.0
   38    33    37    44   0.15250 -1.0 2.0
   38    33    37    44  -0.50650  1.0 3.0
   38    33    60    51   0.25450  1.0 1.0
   38    33    60    51  -0.61700 -1.0 2.0
   38    33    60    51  -0.23550  1.0 3.0
   38    33    60    61   0.00000  1.0 1.0
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    42    37    44   1.10000 -1.0 2.0
   49    80    46    42   4.00000 -1.0 2.0
   58    50    49    46   1.10000 -1.0 2.0
   67    59    58    49   1.10000 -1.0 2.0
   71    68    67    58   1.10000 -1.0 2.0
   80    83    71    67   4.00000 -1.0 2.0
   71    81    80    46   4.00000 -1.0 2.0
   42    52    47    51   1.10000 -1.0 2.0
   62    60    51    47   1.10000 -1.0 2.0
   61    51    60    33   1.00000 -1.0 2.0
   47    66    52    53  10.50000 -1.0 2.0
   45    48    44    37   1.10000 -1.0 2.0
END
