* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    156    246     467
    1     0 S   NP   _N1_     1    28.60814    95.65817   -22.29557
    2     1 S   H    _HN1     2     1.02776    96.52999   -81.06348
    3     1 S   H    _H1_     3     1.02961    79.51985    26.44051
    4     1 S   H    _H2_     4     1.02834    35.48415   167.05481
    5     1 S   CT   _CA1     5     1.50125   143.32142   136.57371
    6     5 S   HC   _HA1     6     1.09576   105.22103    77.48812
    7     5 S   CO3  _C1_     7     1.53771   112.39174   -42.68494
    8     7 S   O2Z  _O11     8     1.26357   114.99412   -43.64830
    9     7 S   O2Z  _O12     9     1.26239   114.91365   135.49115
   10     5 S   CT   _CB1    10     1.53092   107.41764  -164.63524
   11    10 S   HC   HB11    11     1.09826   109.27021   -51.05966
   12    10 S   HC   HB12    12     1.09818   110.43433    65.46588
   13    10 S   CT   _CG1    13     1.53017   112.71095  -172.18129
   14    13 S   HC   HG11    14     1.09596   110.44437   -64.74168
   15    13 S   HC   HG12    15     1.09656   109.97103    54.48305
   16    13 S   C    _CD1    16     1.51829   112.31602   174.78624
   17    16 S   O    _OE1    17     1.22727   123.25763    -1.33647
   18    16 S   N    _N2_    18     1.38637   111.66116   178.93835
   19    18 S   H    _HN2    19     1.01587   119.03779     0.84093
   20    18 S   CT1  _CA2    20     1.46117   123.34759   179.33648
   21    20 S   HC   _HA2    21     1.09731   109.39026    -6.73796
   22    20 S   C    _C2_    22     1.53538   108.64668  -122.39007
   23    22 S   O    _O2_    23     1.23060   122.24502  -146.59812
   24    20 S   CT   _CB2    32     1.53222   111.63057   115.31691
   25    24 S   HC   HB21    33     1.09609   110.19262    55.54446
   26    24 S   HC   HB22    34     1.09485   109.75469   174.30316
   27    22 S   N    _N3_    24     1.38495   113.52596    40.92801
   28    27 S   H    _HN3    25     1.01504   119.01468    -0.52414
   29    24 S   S    _SG2    35     1.82893   112.34151   -65.71748
   30    27 S   CT   _CA3    26     1.45420   123.19896   175.11926
   31    30 S   HC   HA31    27     1.09539   109.04082    29.27099
   32    30 S   HC   HA32    28     1.09492   107.21683   146.21676
   33    29 S   CT   _C17    36     1.83805    98.42281   177.31285
   34    33 S   HC   _H3_    37     1.09670   106.68368   -60.66316
   35    30 S   CO3  _C3_    29     1.52908   113.05119   -94.05354
   36    35 S   O2Z  _O31    30     1.26403   115.33319   -47.85662
   37    35 S   O2Z  _O32    31     1.26349   115.02740   133.00509
   38    33 S   CT   _C9_    38     1.53264   111.98846   177.53423
   39    38 S   HC   _H32    39     1.09959   107.80334   -56.85889
   40    33 S   OS   _O19    52     1.42685   108.83643    58.13532
   41    38 S   CT   _C10    40     1.54040   111.67063  -173.84703
   42    41 S   HC   _H33    41     1.10231   107.34625   160.06180
   43    38 S   CO4  _C6_    81     1.51826   114.20202    61.38889
   44    43 S   O    _O17    82     1.22648   124.57933    20.32647
   45    43 S   HC   _H28    83     1.10417   115.02291  -162.14986
   46    41 S   CT   _C7_    42     1.54050   115.68411   -80.94043
   47    46 S   HC   _H29    43     1.09469   113.21417    37.55980
   48    46 S   HC   _H30    44     1.09440   110.99535   -85.58986
   49    46 S   CM   _C4_    45     1.49349   101.94082   155.88737
   50    49 S   HC   _H27    46     1.08085   123.47329   162.79038
   51    49 S   CM   _C5_    47     1.34024   111.66358   -18.39054
   52    41 S   CT   _C8_    48     1.54718   114.33675    40.19004
   53    52 S   HC   _H31    49     1.09683   109.02760    85.76786
   54    51 S   CT   _C18    76     1.48835   126.33040  -179.24256
   55    54 S   HC   _H41    77     1.09397   110.74888   117.15185
   56    54 S   HC   _H42    78     1.09496   111.37820    -3.37615
   57    52 S   CO   _C15    50     1.53727   112.82467   -37.29192
   58    57 S   HC   _H38    51     1.09829   110.77463   -72.36865
   59    54 S   OH   _O23    79     1.42012   109.22604  -122.90078
   60    59 S   HO   _H48    80     0.97218   107.00123  -177.78336
   61    57 S   OS1  _O25    53     1.43444   108.37839   169.06553
   62    61 S   CO1  _C16    54     1.43492   112.73645  -177.68244
   63    62 S   HC   _H39    55     1.09773   108.12167    61.80156
   64    62 S   CT   _C13    56     1.53316   107.95097  -179.67374
   65    64 S   HC   _H36    57     1.09671   109.97865    54.45830
   66    64 S   CT   _C11    58     1.53266   110.97224   176.35938
   67    66 S   HC   _H34    59     1.09674   110.16056    74.18511
   68    64 S   OH5  _O22    74     1.42912   110.10094   -62.41339
   69    68 S   HO   _H47    75     0.97241   108.16431   -59.67243
   70    66 S   CT   _C12    60     1.53314   111.61356   -48.47589
   71    70 S   HC   _H35    61     1.09702   109.00881   -72.17551
   72    66 S   OH5  _O20    72     1.42964   109.58058  -170.05106
   73    72 S   HO   _H45    73     0.97234   108.13064    61.01783
   74    70 S   CT   _C14    62     1.53216   110.72475    49.03139
   75    74 S   HC   _H37    63     1.09810   110.96403    64.13077
   76    70 S   OH5  _O21    70     1.42578   109.67882   171.01038
   77    76 S   HO   _H46    71     0.97298   108.18117   -60.16098
   78    62 S   OS1  _O18    64     1.42857   111.51679   -59.36976
   79    74 S   CT   _C19    65     1.52894   111.81715  -175.02500
   80    79 S   HC   _H43    66     1.09494   111.04580    68.62110
   81    79 S   HC   _H44    67     1.09399   111.50100   -53.81033
   82    79 S   OH5  _O24    68     1.42554   109.00058  -172.77414
   83    82 S   HO   _H49    69     0.97238   106.97890  -179.87333
  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
  14   6   2   1   1  15   8   9  16   9   4   1   1   9   5   4
   9   3  10   9   4   5   3   2   6   2   1   1   8  13   6  12
   7  13   7   4   1  12   7   3   1   9   6   3   1   4   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    41    57    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    46    52    57    58    40    61    43    44    45  
   38    39    41    57    40    43  
   36    37  
   37  
    0  
   39    41    42    46    47    48    49    51    52    53    57    40    43    44    45  
   41    42    46    52    40    43    44    45  
   61    62    43    41    51    52    53    57    58  
   42    46    47    48    49    50    51    52    53    57    58    61    54    43    44    45  
   46    47    48    49    51    52    53    57    43  
   44    45    46    52  
   45  
    0  
   47    48    49    50    51    52    53    57    54  
   48    49    50    51    52  
   49    50    51    52  
   50    51    52    53    57    54    55    56    59  
   51    52    54  
   52    53    57    58    61    54    55    56    59    60  
   53    57    58    61    62    54    55    56    59  
   57    58    61    54  
   55    56    59    60    57  
   56    59    60  
   59    60  
   58    61    62    63    64    78  
   61    62  
   60  
    0  
   62    63    64    65    66    74    78    68  
   63    64    65    66    67    70    74    75    78    79    72    68    69  
   64    65    66    74    78    68  
   65    66    67    70    71    74    78    76    72    73    68    69  
   66    67    70    78    72    68    69  
   67    70    71    74    75    78    79    76    77    72    73    68    69  
   70    71    74    76    72    73    68  
   69    70    72    78  
    0  
   71    74    75    78    79    80    81    82    76    77    72    73  
   74    75    78    79    76    77    72  
   73    74    76  
    0  
   75    78    79    80    81    82    83    76    77  
   78    79    80    81    82    76  
   77    78    79  
    0  
   79    80    81    82  
   80    81    82    83  
   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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   45   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    43   317.000  1.522
   41    42   340.000  1.090
   41    46   268.000  1.529
   41    52   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   317.000  1.510
   49    50   340.000  1.080
   49    51   549.000  1.340
   51    52   317.000  1.510
   51    54   317.000  1.510
   52    53   340.000  1.090
   52    57   250.000  1.527
   57    58   340.000  1.090
   57    40   320.000  1.380
   57    61   320.000  1.380
   61    62   370.000  1.399
   62    63   360.000  1.097
   62    64   255.000  1.525
   62    78   370.000  1.399
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    68   355.000  1.421
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    72   355.000  1.421
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    76   355.000  1.421
   74    75   340.000  1.090
   74    78   335.000  1.422
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   355.000  1.421
   82    83   580.000  0.967
   76    77   580.000  0.967
   72    73   580.000  0.967
   68    69   580.000  0.967
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   320.000  1.410
   59    60   553.000  0.945
   43    44   570.000  1.229
   43    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    43    63.00000  111.10000
   33    40    57    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    46    58.35000  112.70000
   38    41    52    58.35000  112.70000
   38    43    44    80.00000  120.40000
   38    43    45    35.00000  115.00000
   41    38    39    37.50000  110.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    49    70.00000  112.02700
   41    52    51    70.00000  112.02700
   41    52    53    37.50000  110.70000
   41    52    57    75.00000  109.43000
   46    41    42    37.50000  110.70000
   46    49    50    35.00000  117.00000
   46    49    51    70.00000  124.00000
   48    46    47    33.00000  107.80000
   49    46    47    35.00000  109.50000
   49    46    48    35.00000  109.50000
   49    51    52    70.00000  124.00000
   49    51    54    70.00000  124.00000
   51    49    50    35.00000  120.00000
   51    52    53    35.00000  109.50000
   51    52    57    70.00000  112.02700
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    59    90.00000  110.39200
   52    41    42    37.50000  110.70000
   52    41    46    58.35000  112.70000
   52    57    58    45.00000  112.01100
   52    57    40    90.00000  108.56700
   52    57    61    90.00000  108.56700
   57    52    53    45.00000  108.72000
   57    61    62    90.00000  112.10700
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
   40    57    58    35.00000  109.50000
   61    57    58    35.00000  109.50000
   61    57    40    92.60000  111.55000
   61    62    63    60.00000  105.75400
   61    62    64    90.00000  109.70700
   61    62    78   110.00000  113.16000
   62    64    65    45.00000  109.54000
   62    64    66    70.00000  111.10000
   62    64    68    90.00000  109.42000
   62    78    74    90.00000  112.10700
   64    62    63    45.00000  111.65000
   64    66    67    37.50000  110.70000
   64    66    70    58.35000  112.70000
   64    66    72    90.00000  111.45300
   64    68    69    65.00000  108.53500
   66    64    65    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    74    58.35000  112.70000
   66    70    76    90.00000  111.45300
   66    72    73    65.00000  108.53500
   70    66    67    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    78    95.00000  107.88500
   70    74    79    58.35000  112.70000
   70    76    77    65.00000  108.53500
   74    70    71    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    90.00000  111.45300
   78    62    63    60.00000  105.75400
   78    62    64    90.00000  109.70700
   78    74    75    55.00000  108.98800
   79    74    75    37.50000  110.70000
   79    74    78    95.00000  107.88500
   79    82    83    65.00000  108.53500
   81    79    80    33.00000  107.80000
   82    79    80    60.00000  109.39000
   82    79    81    60.00000  109.39000
   76    70    71    60.00000  109.39000
   76    70    74    90.00000  111.45300
   72    66    67    60.00000  109.39000
   72    66    70    90.00000  111.45300
   68    64    65    60.00000  109.39000
   68    64    66    90.00000  111.45300
   54    51    52    65.00000  117.92700
   54    59    60    55.00000  108.50000
   56    54    55    33.00000  107.80000
   59    54    55    35.00000  109.50000
   59    54    56    35.00000  109.50000
   43    38    39    35.00000  109.50000
   43    38    41    63.00000  111.10000
   45    43    44    35.00000  123.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    40    57   0.14700  1.0 1.0
   29    33    40    57  -1.16150 -1.0 2.0
   29    33    40    57   0.48700  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    46   0.56750  1.0 1.0
   33    38    41    46  -0.07550 -1.0 2.0
   33    38    41    46   0.20000  1.0 3.0
   33    38    41    52   0.56750  1.0 1.0
   33    38    41    52  -0.07550 -1.0 2.0
   33    38    41    52   0.20000  1.0 3.0
   33    38    43    44   0.30150 -1.0 2.0
   33    38    43    45   0.74550  1.0 1.0
   33    38    43    45  -0.00500 -1.0 2.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    43  -0.11250  1.0 3.0
   34    33    40    57   0.37050  1.0 3.0
   38    33    40    57   0.06250  1.0 1.0
   38    33    40    57  -0.01100 -1.0 2.0
   38    33    40    57   0.28050  1.0 3.0
   38    41    46    47   0.15000  1.0 3.0
   38    41    46    48   0.15000  1.0 3.0
   38    41    46    49   0.34400  1.0 1.0
   38    41    46    49   0.09450 -1.0 2.0
   38    41    46    49   0.11100  1.0 3.0
   38    41    52    51   0.34400  1.0 1.0
   38    41    52    51   0.09450 -1.0 2.0
   38    41    52    51   0.11100  1.0 3.0
   38    41    52    53   0.15000  1.0 3.0
   38    41   -52    57   3.97050  1.0 1.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    46   0.15000  1.0 3.0
   39    38    41    52   0.15000  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    45   0.00000  1.0 1.0
   41    38    43    44   0.30150 -1.0 2.0
   41    38    43    45   0.74550  1.0 1.0
   41    38    43    45  -0.00500 -1.0 2.0
   41    46    49    50   0.00000  1.0 1.0
   41    46   -49    51   0.09850  1.0 1.0
   41    46   -49    51   0.15250 -1.0 2.0
   41    46   -49    51  -0.50650  1.0 3.0
   41    52    57    58   0.15000  1.0 3.0
   41    52    57    40   0.62750  1.0 1.0
   41    52    57    40  -0.30950 -1.0 2.0
   41    52    57    40   0.27300  1.0 3.0
   41    52    57    61   0.62750  1.0 1.0
   41    52    57    61  -0.30950 -1.0 2.0
   41    52    57    61   0.27300  1.0 3.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    48   0.15000  1.0 3.0
   42    41    46    49   0.15000  1.0 3.0
   42    41    52    51   0.15000  1.0 3.0
   42    41    52    53   0.15000  1.0 3.0
   42    41    52    57   0.15000  1.0 3.0
   46    41   -52    51   0.34400  1.0 1.0
   46    41   -52    51   0.09450 -1.0 2.0
   46    41   -52    51   0.11100  1.0 3.0
   46    41    52    53   0.15000  1.0 3.0
   46    41    52    57   3.97050  1.0 1.0
   46    49   -51    52   7.00000 -1.0 2.0
   46    49    51    54   7.00000 -1.0 2.0
   47    46    49    50   0.33100  1.0 3.0
   47    46    49    51   0.00000  1.0 1.0
   48    46    49    50   0.33100  1.0 3.0
   48    46    49    51   0.00000  1.0 1.0
   49    51   -52    41   0.09850  1.0 1.0
   49    51   -52    41   0.15250 -1.0 2.0
   49    51   -52    41  -0.50650  1.0 3.0
   49    51    52    53   0.00000  1.0 1.0
   49    51    52    57   0.09850  1.0 1.0
   49    51    52    57   0.15250 -1.0 2.0
   49    51    52    57  -0.50650  1.0 3.0
   49    51    54    55   0.00000  1.0 1.0
   49    51    54    56   0.00000  1.0 1.0
   49    51    54    59   0.67800  1.0 1.0
   49    51    54    59   0.47050 -1.0 2.0
   49    51    54    59  -0.62500  1.0 3.0
   50    49    51    52   7.00000 -1.0 2.0
   50    49    51    54   7.00000 -1.0 2.0
   51    52    57    58   0.15000  1.0 3.0
   51    52    57    40   0.61850  1.0 1.0
   51    52    57    40  -0.22750 -1.0 2.0
   51    52    57    40   0.15300  1.0 3.0
   51    52    57    61   0.61850  1.0 1.0
   51    52    57    61  -0.22750 -1.0 2.0
   51    52    57    61   0.15300  1.0 3.0
   51    54    59    60  -0.07800  1.0 1.0
   51    54    59    60  -0.21500 -1.0 2.0
   51    54    59    60  -0.03150  1.0 3.0
   52    41    46    47   0.15000  1.0 3.0
   52    41    46    48   0.15000  1.0 3.0
   52    41   -46    49   0.34400  1.0 1.0
   52    41   -46    49   0.09450 -1.0 2.0
   52    41   -46    49   0.11100  1.0 3.0
   52    51    54    55   0.34800  1.0 3.0
   52    51    54    56   0.34800  1.0 3.0
   52    51    54    59   0.18000  1.0 1.0
   52    51    54    59   0.16450 -1.0 2.0
   52    51    54    59   0.04450  1.0 3.0
   52    57   -40    33   0.06250  1.0 1.0
   52    57   -40    33  -0.01100 -1.0 2.0
   52    57   -40    33   0.28050  1.0 3.0
   52    57    61    62   0.06250  1.0 1.0
   52    57    61    62  -0.01100 -1.0 2.0
   52    57    61    62   0.28050  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    40   0.23400  1.0 3.0
   53    52    57    61   0.23400  1.0 3.0
   57    61    62    63   0.37050  1.0 3.0
   57    61    62    64   0.06250  1.0 1.0
   57    61    62    64  -0.01100 -1.0 2.0
   57    61    62    64   0.28050  1.0 3.0
   57    61    62    78  -0.12700  1.0 1.0
   57    61    62    78  -1.16200 -1.0 2.0
   57    61    62    78   0.58800  1.0 3.0
   58    57    40    33   0.37050  1.0 3.0
   58    57    61    62   0.37050  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33   -38    41   0.62750  1.0 1.0
   40    33   -38    41  -0.30950 -1.0 2.0
   40    33   -38    41   0.27300  1.0 3.0
   40    33    38    43  -0.09450  1.0 1.0
   40    33    38    43  -1.12950 -1.0 2.0
   40    33    38    43   0.54000  1.0 3.0
   40    57    61    62  -0.53350  1.0 1.0
   40    57    61    62  -0.78350 -1.0 2.0
   40    57    61    62   0.33750  1.0 3.0
   61    57    40    33  -0.81800  1.0 1.0
   61    62    64    65   0.23400  1.0 3.0
   61    62    64    66   0.62750  1.0 1.0
   61    62    64    66  -0.30950 -1.0 2.0
   61    62    64    66   0.27300  1.0 3.0
   61    62    64    68   1.51850  1.0 1.0
   61    62    78    74  -0.70400  1.0 1.0
   61    62    78    74  -0.90350 -1.0 2.0
   62    64    66    67   0.15000  1.0 3.0
   62    64    66    70   0.56750  1.0 1.0
   62    64    66    70  -0.07550 -1.0 2.0
   62    64    66    70   0.20000  1.0 3.0
   62    64    66    72  -0.47750  1.0 1.0
   62    64    68    69   0.29150  1.0 1.0
   62    64    68    69  -0.28350 -1.0 2.0
   62    64    68    69   0.43600  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    64    68   0.23400  1.0 3.0
   63    62    78    74   0.37050  1.0 3.0
   64    62    78    74   0.06250  1.0 1.0
   64    62    78    74  -0.01100 -1.0 2.0
   64    62    78    74   0.28050  1.0 3.0
   64    66    70    71   0.15000  1.0 3.0
   64    66   -70    74   0.56750  1.0 1.0
   64    66   -70    74  -0.07550 -1.0 2.0
   64    66   -70    74   0.20000  1.0 3.0
   64    66    70    76  -0.47750  1.0 1.0
   64    66    72    73   0.29150  1.0 1.0
   64    66    72    73  -0.28350 -1.0 2.0
   64    66    72    73   0.43600  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    70   0.15000  1.0 3.0
   65    64    66    72   0.23400  1.0 3.0
   65    64    68    69   0.19450  1.0 3.0
   66    64    68    69   0.29150  1.0 1.0
   66    64    68    69  -0.28350 -1.0 2.0
   66    64    68    69   0.43600  1.0 3.0
   66    70    74    75   0.15000  1.0 3.0
   66    70    74    78   0.62750  1.0 1.0
   66    70    74    78  -0.30950 -1.0 2.0
   66    70    74    78   0.27300  1.0 3.0
   66    70    74    79   0.56750  1.0 1.0
   66    70    74    79  -0.07550 -1.0 2.0
   66    70    74    79   0.20000  1.0 3.0
   66    70    76    77   0.29150  1.0 1.0
   66    70    76    77  -0.28350 -1.0 2.0
   66    70    76    77   0.43600  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    74   0.15000  1.0 3.0
   67    66    70    76   0.23400  1.0 3.0
   67    66    72    73   0.19450  1.0 3.0
   70    66    72    73   0.29150  1.0 1.0
   70    66    72    73  -0.28350 -1.0 2.0
   70    66    72    73   0.43600  1.0 3.0
   70    74   -78    62   0.06250  1.0 1.0
   70    74   -78    62  -0.01100 -1.0 2.0
   70    74   -78    62   0.28050  1.0 3.0
   70    74    79    80   0.15000  1.0 3.0
   70    74    79    81   0.15000  1.0 3.0
   70    74    79    82  -0.47750  1.0 1.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    78   0.23400  1.0 3.0
   71    70    74    79   0.15000  1.0 3.0
   71    70    76    77   0.19450  1.0 3.0
   74    70    76    77   0.29150  1.0 1.0
   74    70    76    77  -0.28350 -1.0 2.0
   74    70    76    77   0.43600  1.0 3.0
   74    79    82    83   0.29150  1.0 1.0
   74    79    82    83  -0.28350 -1.0 2.0
   74    79    82    83   0.43600  1.0 3.0
   75    74    78    62   0.37050  1.0 3.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    82   0.23400  1.0 3.0
   78    62    64    65   0.23400  1.0 3.0
   78    62   -64    66   0.62750  1.0 1.0
   78    62   -64    66  -0.30950 -1.0 2.0
   78    62   -64    66   0.27300  1.0 3.0
   78    62    64    68   1.51850  1.0 1.0
   78    74    79    80   0.23400  1.0 3.0
   78    74    79    81   0.23400  1.0 3.0
   78    74    79    82   1.51850  1.0 1.0
   79    74    78    62   0.06250  1.0 1.0
   79    74    78    62  -0.01100 -1.0 2.0
   79    74    78    62   0.28050  1.0 3.0
   80    79    82    83   0.19450  1.0 3.0
   81    79    82    83   0.19450  1.0 3.0
   76    70    74    75   0.23400  1.0 3.0
   76    70    74    78   1.51850  1.0 1.0
   76    70    74    79  -0.47750  1.0 1.0
   72    66    70    71   0.23400  1.0 3.0
   72    66    70    74  -0.47750  1.0 1.0
   72    66    70    76   3.77950  1.0 1.0
   68    64    66    67   0.23400  1.0 3.0
   68    64    66    70  -0.47750  1.0 1.0
   68    64    66    72   3.77950  1.0 1.0
   54    51    52    41   0.46850  1.0 1.0
   54    51    52    41   0.08550 -1.0 2.0
   54    51    52    41   0.09800  1.0 3.0
   54    51    52    53   0.34800  1.0 3.0
   54    51    52    57   0.46850  1.0 1.0
   54    51    52    57   0.08550 -1.0 2.0
   54    51    52    57   0.09800  1.0 3.0
   55    54    59    60   0.19450  1.0 3.0
   56    54    59    60   0.19450  1.0 3.0
   43    38    41    42  -0.11250  1.0 3.0
   43    38    41    46  -0.95700  1.0 1.0
   43    38    41    46  -0.18200 -1.0 2.0
   43    38    41    46   0.29450  1.0 3.0
   43    38    41    52  -0.95700  1.0 1.0
   43    38    41    52  -0.18200 -1.0 2.0
   43    38    41    52   0.29450  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   46    50    49    51   1.10000 -1.0 2.0
   52    54    51    49   1.10000 -1.0 2.0
   38    45    43    44  10.50000 -1.0 2.0
END
