* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    154    237     447
    1     0 S   NP   _N1_     1    28.27152    97.03862   -21.79049
    2     1 S   H    _HN1     2     1.02950    74.17796   -26.37132
    3     1 S   H    _H1_     3     1.02830    37.65824   123.93081
    4     1 S   H    _H2_     4     1.02773   102.01901  -132.27567
    5     1 S   CT   _CA1     5     1.50183   140.96212    76.65209
    6     5 S   HC   _HA1     6     1.09573   105.18115    88.11741
    7     5 S   CO3  _C1_     7     1.53789   112.06446   -32.03930
    8     7 S   O2Z  _O11     8     1.26387   114.99066   -48.04871
    9     7 S   O2Z  _O12     9     1.26202   114.93160   130.55753
   10     5 S   CT   _CB1    10     1.53053   107.34815  -154.01297
   11    10 S   HC   HB11    11     1.09840   109.42500   -49.01339
   12    10 S   HC   HB12    12     1.09810   110.44628    67.54843
   13    10 S   CT   _CG1    13     1.53044   112.67217  -169.92485
   14    13 S   HC   HG11    14     1.09582   110.66169   -64.65436
   15    13 S   HC   HG12    15     1.09656   109.83048    54.59739
   16    13 S   C    _CD1    16     1.51852   111.92009   175.11364
   17    16 S   O    _OE1    17     1.22811   123.21466     9.17425
   18    16 S   N    _N2_    18     1.38435   112.01776  -171.13461
   19    18 S   H    _HN2    19     1.01824   119.43555    -0.83603
   20    18 S   CT1  _CA2    20     1.45822   122.75283  -179.73607
   21    20 S   HC   _HA2    21     1.09740   108.43691    35.11522
   22    20 S   C    _C2_    22     1.53019   107.64671   -82.29744
   23    22 S   O    _O2_    23     1.22965   123.22371   -26.25478
   24    20 S   CT   _CB2    32     1.53240   112.09451   158.10485
   25    24 S   HC   HB21    33     1.09345   109.50501    59.67365
   26    24 S   HC   HB22    34     1.09536   110.40682   177.40068
   27    22 S   N    _N3_    24     1.38549   112.45053   156.43261
   28    27 S   H    _HN3    25     1.01643   120.32450    -2.31596
   29    24 S   S    _SG2    35     1.82906   111.02543   -63.33013
   30    27 S   CT   _CA3    26     1.45338   122.48119   178.58238
   31    30 S   HC   HA31    27     1.09567   107.83044   -55.27094
   32    30 S   HC   HA32    28     1.09561   107.59528    61.06425
   33    29 S   CT   _C12    36     1.90803   101.67077   143.44295
   34    30 S   CO3  _C3_    29     1.52883   114.32717  -177.20222
   35    34 S   O2Z  _O31    30     1.26338   116.08180    -0.34605
   36    34 S   O2Z  _O32    31     1.26441   114.40727   179.62206
   37    33 S   CT   _C11    37     1.57538   103.55196    64.78017
   38    37 S   HC   _H15    38     1.10024   107.86080    50.89081
   39    37 S   HC   _H16    39     1.09736   109.72149   -63.94422
   40    33 S   CT   _C13    59     1.60525   113.36705   -58.08776
   41    40 S   OM   _O38    60     1.32751   110.91271   -36.25682
   42    40 S   HC   _H5_    61     1.09835   103.19615    89.80851
   43    33 S   CT   _C19    77     1.54508   103.16300   179.44928
   44    43 S   HC   _H19    78     1.09630   111.70796    64.84348
   45    43 S   HC   _H20    79     1.09720   111.66425   -55.83439
   46    43 S   HC   _H21    80     1.09350   112.34640  -174.74924
   47    37 S   CT   _C10    40     1.53796   119.83840   171.18191
   48    47 S   HC   _H13    41     1.09773   107.43754  -163.83916
   49    47 S   HC   _H14    42     1.09319   109.77692   -48.89557
   50    47 S   C3T  _C9_    43     1.49793   113.56280    77.37367
   51    50 S   HC   _H4_    44     1.08071   113.98543    16.12633
   52    50 S   C3T  _C8_    45     1.52481   121.12195  -140.28812
   53    52 S   CT   _C7_    46     1.50881   117.23495   152.52515
   54    53 S   HC   _H11    47     1.09713   107.59005   148.66407
   55    53 S   HC   _H12    48     1.09767   110.06338    33.54819
   56    50 S   O3T  _O35    72     1.43400   116.53371   152.67892
   57    52 S   CT   _C20    73     1.50366   122.47177    -8.10065
   58    57 S   HC   _H22    74     1.09568   111.88953   -42.04357
   59    57 S   HC   _H23    75     1.09488   110.74765  -161.39410
   60    57 S   HC   _H24    76     1.09358   111.05298    78.14809
   61    53 S   CT   _C6_    49     1.54713   115.34933   -89.56394
   62    61 S   HC   _H3_    50     1.09964   106.25346  -176.14659
   63    61 S   CT   _C15    51     1.55455   114.83426    66.22993
   64    63 S   HC   _H7_    52     1.09624   108.40180    49.15835
   65    61 S   OS   _O34    65     1.44455   110.42194   -58.75238
   66    63 S   CM   _C16    53     1.49539   110.19323   170.86047
   67    65 S   CO4  _C5_    66     1.36203   117.88880   -83.73973
   68    67 S   O    _O33    67     1.22295   126.51083     1.00717
   69    66 S   CO4  _C18    54     1.47629   109.34720    99.69209
   70    69 S   O    _O36    55     1.21783   126.92395  -167.40098
   71    66 S   CM   _C17    62     1.33560   128.32138   -82.40050
   72    71 S   HC   _H17    63     1.08471   120.75220     1.05202
   73    71 S   HC   _H18    64     1.08498   121.64289  -178.67249
   74    67 S   CT   _C4_    68     1.49830   109.37795  -179.26832
   75    74 S   HC   _H8_    69     1.09285   109.81032   -62.45904
   76    74 S   HC   _H9_    70     1.09374   109.37027   178.39294
   77    74 S   HC   _H10    71     1.09301   109.82464    59.42092
   78    69 S   OS   _O37    56     1.36335   107.07351    11.04307
   79    63 S   CT   _C14    57     1.53968   115.68377   -77.14290
   80    79 S   HC   _H6_    58     1.08461   109.60088    19.83445
  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  13   5   4   3
  18   2   1   1  17   7   6  15   6   5   5   2   1   1   8   5
   4  11   4  12  15   7   6   5   4   2   1   1  13   6  12   7
   8   8   5   4   7   3   4   1   1   3   2   1   1   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    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    47    79    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    47    48    49    50    63    78    79    80    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    39    47    48    49    50    51    52    79    40    41    42    56    43    44    45    46  
   39    47    48    49    50    40    43  
   47    48    49    50    40    43  
   41    42    43    44    45    46    47    61    63    64    66    69    78    79    80  
   42    43    63    78    79    80  
   43    63    78    79    80  
   44    45    46    47    79  
   45    46  
   46  
    0  
   48    49    50    51    52    53    56    57  
   49    50    51    52    56  
   50    51    52    56  
   51    52    53    54    55    61    56    57    58    59    60  
   52    53    56    57  
   53    54    55    61    62    63    65    56    57    58    59    60  
   54    55    61    62    63    64    66    79    65    67    56    57    58    59    60  
   55    61    62    63    65    56    57  
   61    62    63    65    56    57  
   57    58    59    60    61  
   58    59    60    61  
   59    60  
   60  
    0  
   62    63    64    66    69    78    79    80    71    65    67    68    74  
   63    64    66    79    65    67  
   64    66    69    70    78    79    80    71    72    73    65    67  
   66    69    78    79    80    71    65  
   67    68    74    75    76    77    66    79  
   69    70    78    79    80    71    72    73  
   68    74    75    76    77  
   74    75    76    77  
   70    78    79    80    71    72    73  
   78    79    71  
   72    73    78    79  
   73  
    0  
   75    76    77  
   76    77  
   77  
    0  
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   33    40   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   275.000  1.510
   50    51   340.000  1.088
   50    52   260.000  1.509
   50    56   335.000  1.432
   52    53   275.000  1.510
   52    56   335.000  1.432
   52    57   275.000  1.510
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    61   268.000  1.529
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    65   320.000  1.410
   63    64   340.000  1.090
   63    66   317.000  1.510
   63    79   268.000  1.529
   66    69   320.000  1.462
   66    71   549.000  1.340
   69    70   570.000  1.229
   69    78   214.000  1.327
   78    79   320.000  1.410
   79    80   340.000  1.090
   79    40   268.000  1.529
   40    41   570.000  1.307
   40    42   340.000  1.090
   71    72   340.000  1.080
   71    73   340.000  1.080
   65    67   214.000  1.327
   67    68   570.000  1.229
   67    74   317.000  1.522
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    47    58.35000  112.70000
   33    40    79    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    37.50000  110.70000
   37    47    49    37.50000  110.70000
   37    47    50    70.00000  112.37300
   39    37    38    33.00000  107.80000
   47    37    38    37.50000  110.70000
   47    37    39    37.50000  110.70000
   47    50    51    40.00000  115.04500
   47    50    52    60.00000  120.94000
   47    50    56    80.00000  116.47100
   49    47    48    33.00000  107.80000
   50    47    48    45.00000  109.38400
   50    47    49    45.00000  109.38400
   50    52    53    60.00000  120.94000
   50    52    56    15.00000   60.43100
   50    52    57    60.00000  120.94000
   50    56    52    15.00000   59.14900
   52    50    51    37.50000  117.20000
   52    53    54    45.00000  109.38400
   52    53    55    45.00000  109.38400
   52    53    61    70.00000  112.37300
   52    57    58    45.00000  109.38400
   52    57    59    45.00000  109.38400
   52    57    60    45.00000  109.38400
   53    61    62    37.50000  110.70000
   53    61    63    58.35000  112.70000
   53    61    65    50.00000  109.50000
   55    53    54    33.00000  107.80000
   61    53    54    37.50000  110.70000
   61    53    55    37.50000  110.70000
   61    63    64    37.50000  110.70000
   61    63    66    70.00000  112.02700
   61    63    79    58.35000  112.70000
   61    65    67    83.00000  116.90000
   63    61    62    37.50000  110.70000
   63    66    69    65.00000  116.34900
   63    66    71    70.00000  124.00000
   63    79    78    50.00000  109.50000
   63    79    80    37.50000  110.70000
   63    79    40    58.35000  112.70000
   66    63    64    35.00000  109.50000
   66    69    70    80.00000  123.72100
   66    69    78    90.00000  111.29400
   66    71    72    35.00000  120.00000
   66    71    73    35.00000  120.00000
   69    78    79    83.00000  116.90000
   78    69    70    83.00000  123.40000
   78    79    80    35.00000  109.50000
   78    79    40    50.00000  109.50000
   79    63    64    37.50000  110.70000
   79    63    66    70.00000  112.02700
   79    40    41    50.00000  109.50000
   79    40    42    37.50000  110.70000
   40    33    37    58.35000  112.70000
   40    79    80    37.50000  110.70000
   42    40    41    45.00000  125.66300
   71    66    69    65.00000  118.96000
   73    71    72    35.00000  117.00000
   65    61    62    35.00000  109.50000
   65    61    63    50.00000  109.50000
   65    67    68    83.00000  123.40000
   65    67    74    81.00000  111.40000
   67    74    75    35.00000  109.50000
   67    74    76    35.00000  109.50000
   67    74    77    35.00000  109.50000
   74    67    68    80.00000  120.40000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   56    50    51    50.00000  114.27700
   56    50    52    15.00000   60.43100
   56    52    53    80.00000  116.47100
   57    52    53    58.35000  112.70000
   57    52    56    80.00000  116.47100
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    40    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    47   0.44750  1.0 1.0
   29    33    37    47  -0.17800 -1.0 2.0
   29    33    37    47   0.20200  1.0 3.0
   29    33    40    79   0.44750  1.0 1.0
   29    33    40    79  -0.17800 -1.0 2.0
   29    33    40    79   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   0.15000  1.0 3.0
   33    37    47    49   0.15000  1.0 3.0
   33    37    47    50   0.47050  1.0 1.0
   33    37    47    50   0.03900 -1.0 2.0
   33    37    47    50   0.20100  1.0 3.0
   37    33    40    79   0.56750  1.0 1.0
   37    33    40    79  -0.07550 -1.0 2.0
   37    33    40    79   0.20000  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    50    51   0.15000  1.0 3.0
   37    47    50    52   0.07850  1.0 1.0
   37    47    50    52  -0.03950 -1.0 2.0
   37    47    50    52   0.67350  1.0 3.0
   37    47    50    56   0.02550  1.0 1.0
   37    47    50    56  -0.02600 -1.0 2.0
   37    47    50    56   1.20400  1.0 3.0
   38    37    47    48   0.15000  1.0 3.0
   38    37    47    49   0.15000  1.0 3.0
   38    37    47    50   0.15000  1.0 3.0
   39    37    47    48   0.15000  1.0 3.0
   39    37    47    49   0.15000  1.0 3.0
   39    37    47    50   0.15000  1.0 3.0
   47    50    52    53   0.56750  1.0 1.0
   47    50    52    53  -0.07550 -1.0 2.0
   47    50    52    53   0.20000  1.0 3.0
   47    50   -52    56   0.02550  1.0 1.0
   47    50   -52    56  -0.02600 -1.0 2.0
   47    50   -52    56   1.20400  1.0 3.0
   47    50    52    57   0.56750  1.0 1.0
   47    50    52    57  -0.07550 -1.0 2.0
   47    50    52    57   0.20000  1.0 3.0
   47    50   -56    52   0.06250  1.0 1.0
   47    50   -56    52  -0.01100 -1.0 2.0
   47    50   -56    52   0.28050  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    56   0.23400  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52   0.15000  1.0 3.0
   49    47    50    56   0.23400  1.0 3.0
   50    52    53    54   0.15000  1.0 3.0
   50    52    53    55   0.15000  1.0 3.0
   50    52    53    61   0.07850  1.0 1.0
   50    52    53    61  -0.03950 -1.0 2.0
   50    52    53    61   0.67350  1.0 3.0
   50    52    57    58   0.15000  1.0 3.0
   50    52    57    59   0.15000  1.0 3.0
   50    52    57    60   0.15000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50   -52    56   0.23400  1.0 3.0
   51    50    52    57   0.15000  1.0 3.0
   51    50   -56    52   0.36800  1.0 3.0
   52    53    61    62   0.15000  1.0 3.0
   52    53    61    63   0.47050  1.0 1.0
   52    53    61    63   0.03900 -1.0 2.0
   52    53    61    63   0.20100  1.0 3.0
   52    53    61    65  -0.26800  1.0 1.0
   52    53    61    65   0.69150 -1.0 2.0
   52    53    61    65  -0.48750  1.0 3.0
   53    52   -56    50   0.06250  1.0 1.0
   53    52   -56    50  -0.01100 -1.0 2.0
   53    52   -56    50   0.28050  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    59   0.15000  1.0 3.0
   53    52    57    60   0.15000  1.0 3.0
   53    61    63    64   0.15000  1.0 3.0
   53    61    63    66   0.34400  1.0 1.0
   53    61    63    66   0.09450 -1.0 2.0
   53    61    63    66   0.11100  1.0 3.0
   53    61    63    79   0.56750  1.0 1.0
   53    61    63    79  -0.07550 -1.0 2.0
   53    61    63    79   0.20000  1.0 3.0
   53    61    65    67  -0.25900  1.0 1.0
   53    61    65    67  -0.47000 -1.0 2.0
   53    61    65    67   0.11750  1.0 3.0
   54    53    61    62   0.15000  1.0 3.0
   54    53    61    63   0.15000  1.0 3.0
   54    53    61    65   0.23400  1.0 3.0
   55    53    61    62   0.15000  1.0 3.0
   55    53    61    63   0.15000  1.0 3.0
   55    53    61    65   0.23400  1.0 3.0
   61    63    66    69   0.09700  1.0 1.0
   61    63    66    69   0.15600 -1.0 2.0
   61    63    66    69  -0.50800  1.0 3.0
   61    63    66    71   0.09850  1.0 1.0
   61    63    66    71   0.15250 -1.0 2.0
   61    63    66    71  -0.50650  1.0 3.0
   61    63    79    78   0.62750  1.0 1.0
   61    63    79    78  -0.30950 -1.0 2.0
   61    63    79    78   0.27300  1.0 3.0
   61    63    79    80   0.15000  1.0 3.0
   61    63    79    40   0.56750  1.0 1.0
   61    63    79    40  -0.07550 -1.0 2.0
   61    63    79    40   0.20000  1.0 3.0
   61    65    67    68   3.00000 -1.0 2.0
   61    65    67    74   1.63150  1.0 1.0
   61    65    67    74   2.92000 -1.0 2.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    66   0.15000  1.0 3.0
   62    61    63    79   0.15000  1.0 3.0
   62    61    65    67   0.08050  1.0 3.0
   63    61    65    67  -0.25900  1.0 1.0
   63    61    65    67  -0.47000 -1.0 2.0
   63    61    65    67   0.11750  1.0 3.0
   63    66    69    70  -0.64400  1.0 1.0
   63    66    69    70   0.26850 -1.0 2.0
   63    66   -69    78  -0.15000  1.0 1.0
   63    66   -69    78   0.89550 -1.0 2.0
   63    66   -69    78  -0.06900  1.0 3.0
   63    66    71    72   7.00000 -1.0 2.0
   63    66    71    73   7.00000 -1.0 2.0
   63    79    40    33   0.56750  1.0 1.0
   63    79    40    33  -0.07550 -1.0 2.0
   63    79    40    33   0.20000  1.0 3.0
   63    79    40    41   0.62750  1.0 1.0
   63    79    40    41  -0.30950 -1.0 2.0
   63    79    40    41   0.27300  1.0 3.0
   63    79    40    42   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   64    63    66    71   0.00000  1.0 1.0
   64    63    79    78   0.23400  1.0 3.0
   64    63    79    80   0.15000  1.0 3.0
   64    63    79    40   0.15000  1.0 3.0
   66    63   -79    78   0.61850  1.0 1.0
   66    63   -79    78  -0.22750 -1.0 2.0
   66    63   -79    78   0.15300  1.0 3.0
   66    63    79    80   0.15000  1.0 3.0
   66    63    79    40   0.34400  1.0 1.0
   66    63    79    40   0.09450 -1.0 2.0
   66    63    79    40   0.11100  1.0 3.0
   66    69   -78    79   2.00000 -1.0 2.0
   69    66    71    72   7.00000 -1.0 2.0
   69    66    71    73   7.00000 -1.0 2.0
   69    78   -79    63  -0.25900  1.0 1.0
   69    78   -79    63  -0.47000 -1.0 2.0
   69    78   -79    63   0.11750  1.0 3.0
   69    78    79    80   0.08050  1.0 3.0
   69    78    79    40  -0.25900  1.0 1.0
   69    78    79    40  -0.47000 -1.0 2.0
   69    78    79    40   0.11750  1.0 3.0
   70    69    78    79   3.00000 -1.0 2.0
   78    79    40    33   0.62750  1.0 1.0
   78    79    40    33  -0.30950 -1.0 2.0
   78    79    40    33   0.27300  1.0 3.0
   78    79    40    41   1.11900  1.0 1.0
   78    79    40    41  -1.16350 -1.0 2.0
   78    79    40    41  -0.34150  1.0 3.0
   78    79    40    42   0.23400  1.0 3.0
   79    63   -66    69   0.09700  1.0 1.0
   79    63   -66    69   0.15600 -1.0 2.0
   79    63   -66    69  -0.50800  1.0 3.0
   79    63    66    71   0.09850  1.0 1.0
   79    63    66    71   0.15250 -1.0 2.0
   79    63    66    71  -0.50650  1.0 3.0
   80    79    40    33   0.15000  1.0 3.0
   80    79    40    41   0.23400  1.0 3.0
   80    79    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    47   0.56750  1.0 1.0
   40    33    37    47  -0.07550 -1.0 2.0
   40    33    37    47   0.20000  1.0 3.0
   40    33    43    44   0.15000  1.0 3.0
   40    33    43    45   0.15000  1.0 3.0
   40    33    43    46   0.15000  1.0 3.0
   71    66    69    70   1.00000 -1.0 2.0
   71    66    69    78  -0.56150  1.0 1.0
   71    66    69    78   2.19150 -1.0 2.0
   65    61    63    64   0.23400  1.0 3.0
   65    61    63    66   0.61850  1.0 1.0
   65    61    63    66  -0.22750 -1.0 2.0
   65    61    63    66   0.15300  1.0 3.0
   65    61    63    79   0.62750  1.0 1.0
   65    61    63    79  -0.30950 -1.0 2.0
   65    61    63    79   0.27300  1.0 3.0
   65    67    74    75   0.00000  1.0 1.0
   65    67    74    76   0.00000  1.0 1.0
   65    67    74    77   0.00000  1.0 1.0
   68    67    74    75   0.00000  1.0 1.0
   68    67    74    76   0.00000  1.0 1.0
   68    67    74    77   0.00000  1.0 1.0
   56    50   -52    53   0.02550  1.0 1.0
   56    50   -52    53  -0.02600 -1.0 2.0
   56    50   -52    53   1.20400  1.0 3.0
   56    50   -52    57   0.02550  1.0 1.0
   56    50   -52    57  -0.02600 -1.0 2.0
   56    50   -52    57   1.20400  1.0 3.0
   56    52    53    54   0.23400  1.0 3.0
   56    52    53    55   0.23400  1.0 3.0
   56    52    53    61   0.02550  1.0 1.0
   56    52    53    61  -0.02600 -1.0 2.0
   56    52    53    61   1.20400  1.0 3.0
   56    52    57    58   0.23400  1.0 3.0
   56    52    57    59   0.23400  1.0 3.0
   56    52    57    60   0.23400  1.0 3.0
   57    52    53    54   0.15000  1.0 3.0
   57    52    53    55   0.15000  1.0 3.0
   57    52    53    61   0.56750  1.0 1.0
   57    52    53    61  -0.07550 -1.0 2.0
   57    52    53    61   0.20000  1.0 3.0
   57    52   -56    50   0.06250  1.0 1.0
   57    52   -56    50  -0.01100 -1.0 2.0
   57    52   -56    50   0.28050  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    39   0.15000  1.0 3.0
   43    33    37    47   0.56750  1.0 1.0
   43    33    37    47  -0.07550 -1.0 2.0
   43    33    37    47   0.20000  1.0 3.0
   43    33    40    79   0.56750  1.0 1.0
   43    33    40    79  -0.07550 -1.0 2.0
   43    33    40    79   0.20000  1.0 3.0
   43    33    40    41   0.62750  1.0 1.0
   43    33    40    41  -0.30950 -1.0 2.0
   43    33    40    41   0.27300  1.0 3.0
   43    33    40    42   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
   35    30    34    36  10.50000 -1.0 2.0
   63    69    66    71   1.10000 -1.0 2.0
   66    78    69    70  10.50000 -1.0 2.0
   72    73    71    66   1.10000 -1.0 2.0
   65    74    67    68  10.50000 -1.0 2.0
END
