* LIGAND DATABASE FILE (OPLS2005)
*
001      82    81    139    202     402
    1     0 S   NP   _N1_     1    28.63753    95.44083   -23.03620
    2     1 S   H    _HN1     2     1.02827    36.58231   169.12004
    3     1 S   H    _H1_     3     1.02783    99.45880   -83.51991
    4     1 S   H    _H2_     4     1.02950    76.58716    23.26251
    5     1 S   CT   _CA1     5     1.50113   142.21303   129.33693
    6     5 S   HC   _HA1     6     1.09574   105.19465    83.27026
    7     5 S   CO3  _C1_     7     1.53788   112.48136   -36.94615
    8     7 S   O2Z  _O11     8     1.26369   115.00143   -41.98509
    9     7 S   O2Z  _O12     9     1.26242   114.94753   137.16177
   10     5 S   CT   _CB1    10     1.53083   107.41804  -158.75376
   11    10 S   HC   HB11    11     1.09831   109.35527   -49.86794
   12    10 S   HC   HB12    12     1.09813   110.44852    66.73855
   13    10 S   CT   _CG1    13     1.52981   112.60836  -170.86529
   14    13 S   HC   HG11    14     1.09584   110.60239   -65.75525
   15    13 S   HC   HG12    15     1.09671   109.80364    53.46812
   16    13 S   C    _CD1    16     1.51800   112.28017   173.89957
   17    16 S   O    _OE1    17     1.22724   123.31396     5.88053
   18    16 S   N    _N2_    18     1.38649   111.62585  -174.15876
   19    18 S   H    _HN2    19     1.01581   118.91201     1.72158
   20    18 S   CT1  _CA2    20     1.46185   123.42634   177.54880
   21    20 S   HC   _HA2    21     1.09731   109.40705     2.03250
   22    20 S   C    _C2_    22     1.53544   108.55335  -113.50389
   23    22 S   O    _O2_    23     1.23059   122.30298  -147.50590
   24    20 S   CT   _CB2    32     1.53276   111.54152   124.12044
   25    24 S   HC   HB21    33     1.09597   110.01160    55.84668
   26    24 S   HC   HB22    34     1.09468   110.03985   174.86668
   27    22 S   N    _N3_    24     1.38331   113.67490    39.90770
   28    27 S   H    _HN3    25     1.01589   119.58662    -3.30026
   29    24 S   S    _SG2    35     1.82963   111.58051   -65.14008
   30    27 S   CT   _CA3    26     1.45286   123.20108   177.14638
   31    30 S   HC   HA31    27     1.09549   107.50745   -64.62036
   32    30 S   HC   HA32    28     1.09557   107.98686    51.81571
   33    29 S   CT   _C22    36     1.84323    99.52253   172.25532
   34    33 S   HC   _H3_    37     1.09477   105.03395   -47.95044
   35    30 S   CO3  _C3_    29     1.52957   114.08455   173.81369
   36    35 S   O2Z  _O31    30     1.26375   116.06734    -0.73355
   37    35 S   O2Z  _O32    31     1.26428   114.41173   179.32740
   38    33 S   CM   _C12    38     1.51136   108.86476    70.70624
   39    38 S   HC   _H32    39     1.09003   116.11899    55.68266
   40    33 S   CT   _C23    74     1.55018   112.51857  -164.96572
   41    40 S   HC   _H48    75     1.09850   107.70242  -177.52749
   42    38 S   CM   _C11    40     1.34438   127.67107  -122.92002
   43    42 S   HC   _H31    41     1.08942   117.57132   177.12567
   44    40 S   CO4  _C14    76     1.52238   109.87595    69.05534
   45    44 S   O    _O22    77     1.22688   124.66299  -134.02861
   46    44 S   HC   _H34    78     1.10410   115.32073    49.18372
   47    40 S   CT   _C21    79     1.53035   115.83674   -57.73216
   48    47 S   HC   _H44    80     1.09459   112.19713    65.75515
   49    47 S   HC   _H45    81     1.09621   110.28229  -175.34949
   50    47 S   HC   _H46    82     1.09382   111.66035   -56.30431
   51    42 S   CM   _C16    42     1.45790   127.88307    -1.13367
   52    51 S   CM   _C9_    43     1.34723   120.83473   -55.26644
   53    52 S   HC   _H29    44     1.08805   117.81145     0.44762
   54    51 S   CT   _C19    70     1.50472   113.43624   126.15060
   55    54 S   HC   _H38    71     1.09635   110.36505   -52.57780
   56    54 S   HC   _H39    72     1.09546   110.44652    67.12895
   57    54 S   HC   _H40    73     1.09294   113.25458  -171.91920
   58    52 S   CM   _C5_    45     1.44896   127.27576  -177.13850
   59    58 S   HC   _H25    46     1.08718   116.80169    19.29381
   60    58 S   CM   _C4_    47     1.34456   126.18604  -163.62116
   61    60 S   HC   _H24    48     1.08700   116.81535  -176.67516
   62    60 S   CM   _C8_    49     1.44954   126.20086     6.70601
   63    62 S   HC   _H28    50     1.08826   114.91742    14.90989
   64    62 S   CM   _C15    51     1.34781   127.36142  -167.81242
   65    64 S   CM   _C7_    52     1.46029   120.78444  -176.08413
   66    65 S   HC   _H27    53     1.09001   114.03858   126.72294
   67    64 S   CT   _C18    66     1.50477   125.71189     1.34552
   68    67 S   HC   _H35    67     1.09547   110.44309  -110.19211
   69    67 S   HC   _H36    68     1.09287   113.27734    10.81050
   70    67 S   HC   _H37    69     1.09623   110.37509   130.12292
   71    65 S   CM   _C6_    54     1.34448   128.77115   -53.49586
   72    71 S   HC   _H26    55     1.08725   116.27095   178.86065
   73    71 S   CM   _C10    56     1.44994   126.95412    -2.98485
   74    73 S   HC   _H30    57     1.08822   115.17141   -10.73898
   75    73 S   CM   _C17    58     1.34501   126.06010   170.26267
   76    75 S   CO4  _C13    59     1.49073   115.71115   179.34838
   77    76 S   O    _O21    60     1.22554   122.96459   179.22620
   78    76 S   HC   _H33    61     1.10318   116.13507    -0.67435
   79    75 S   CT   _C20    62     1.49763   128.08724    -2.03327
   80    79 S   HC   _H41    63     1.09492   110.16138   114.31762
   81    79 S   HC   _H42    64     1.09545   110.34005  -126.14234
   82    79 S   HC   _H43    65     1.09244   113.32333    -6.51999
  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   9   5   4   3
  15   7   2   1   1  10   4   9   7   9   3   6   2   1   3   2
   1   1   9  10   4   4   2   1   1   6   3   6   3   9   3   9
  10   4   4   2   1   1   6   3   9   3   7   6   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    51    40    41    44    45    46    47    48    49    50  
   38    39    42    40    41    44    47  
   36    37  
   37  
    0  
   39    42    43    51    52    54    40    41    44    47  
   42    43    51    40  
   41    44    45    46    47    48    49    50    42  
   44    45    46    47    48    49    50  
   43    51    52    53    58    54    55    56    57  
   51    52    54  
   45    46    47    48    49    50  
   46    47  
   47  
   48    49    50  
   49    50  
   50  
    0  
   52    53    58    59    60    54    55    56    57  
   53    58    59    60    61    62    54    55    56    57  
   58    59    60    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    62    63    64  
   60    61    62  
   61    62    63    64    65    67  
   62    63    64  
   63    64    65    66    71    67    68    69    70  
   64    65    67  
   65    66    71    72    73    67    68    69    70  
   66    71    72    73    74    75    67    68    69    70  
   71    72    73    67  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73    74    75    76    79  
   73    74    75  
   74    75    76    77    78    79    80    81    82  
   75    76    79  
   76    77    78    79    80    81    82  
   77    78    79    80    81    82  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   46   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   78   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    51   380.000  1.444
   51    52   549.000  1.340
   51    54   317.000  1.510
   52    53   340.000  1.080
   52    58   380.000  1.444
   58    59   340.000  1.080
   58    60   549.000  1.340
   60    61   340.000  1.080
   60    62   380.000  1.444
   62    63   340.000  1.080
   62    64   549.000  1.340
   64    65   380.000  1.444
   64    67   317.000  1.510
   65    66   340.000  1.080
   65    71   549.000  1.340
   71    72   340.000  1.080
   71    73   380.000  1.444
   73    74   340.000  1.080
   73    75   549.000  1.340
   75    76   320.000  1.462
   75    79   317.000  1.510
   76    77   570.000  1.229
   76    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   40    41   340.000  1.090
   40    44   317.000  1.522
   40    47   268.000  1.529
   44    45   570.000  1.229
   44    46   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    44    63.00000  111.10000
   33    40    47    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    51    70.00000  123.01800
   42    38    39    35.00000  120.00000
   42    51    52    70.00000  123.01800
   42    51    54    70.00000  124.00000
   51    42    43    35.00000  120.00000
   51    52    53    35.00000  120.00000
   51    52    58    70.00000  123.01800
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    57    35.00000  109.50000
   52    58    59    35.00000  120.00000
   52    58    60    70.00000  123.01800
   58    52    53    35.00000  120.00000
   58    60    61    35.00000  120.00000
   58    60    62    70.00000  123.01800
   60    58    59    35.00000  120.00000
   60    62    63    35.00000  120.00000
   60    62    64    70.00000  123.01800
   62    60    61    35.00000  120.00000
   62    64    65    70.00000  123.01800
   62    64    67    70.00000  124.00000
   64    62    63    35.00000  120.00000
   64    65    66    35.00000  120.00000
   64    65    71    70.00000  123.01800
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    35.00000  109.50000
   65    71    72    35.00000  120.00000
   65    71    73    70.00000  123.01800
   71    65    66    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    70.00000  123.01800
   73    71    72    35.00000  120.00000
   73    75    76    65.00000  118.96000
   73    75    79    70.00000  124.00000
   75    73    74    35.00000  120.00000
   75    76    77    80.00000  123.72100
   75    76    78    40.00000  115.75000
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    82    35.00000  109.50000
   78    76    77    35.00000  123.00000
   79    75    76    65.00000  116.34900
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   67    64    65    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   54    51    52    70.00000  124.00000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    44    45    80.00000  120.40000
   40    44    46    35.00000  115.00000
   40    47    48    37.50000  110.70000
   40    47    49    37.50000  110.70000
   40    47    50    37.50000  110.70000
   44    40    41    35.00000  109.50000
   46    44    45    35.00000  123.00000
   47    40    41    37.50000  110.70000
   47    40    44    63.00000  111.10000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   29    33    40    47   0.44750  1.0 1.0
   29    33    40    47  -0.17800 -1.0 2.0
   29    33    40    47   0.20200  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    51   7.00000 -1.0 2.0
   33    40    44    45   0.30150 -1.0 2.0
   33    40    44    46   0.74550  1.0 1.0
   33    40    44    46  -0.00500 -1.0 2.0
   33    40    47    48   0.15000  1.0 3.0
   33    40    47    49   0.15000  1.0 3.0
   33    40    47    50   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44  -0.11250  1.0 3.0
   34    33    40    47   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44  -0.98800  1.0 1.0
   38    33    40    44   0.48800 -1.0 2.0
   38    33    40    44   0.76800  1.0 3.0
   38    33    40    47   0.34400  1.0 1.0
   38    33    40    47   0.09450 -1.0 2.0
   38    33    40    47   0.11100  1.0 3.0
   38    42    51    52   0.28850  1.0 1.0
   38    42    51    52   2.61350 -1.0 2.0
   38    42    51    52   0.78400  1.0 3.0
   38    42    51    54  -0.18600  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    51   7.00000 -1.0 2.0
   42    51    52    53   7.00000 -1.0 2.0
   42    51    52    58   7.00000 -1.0 2.0
   42    51    54    55   0.00000  1.0 1.0
   42    51    54    56   0.00000  1.0 1.0
   42    51    54    57   0.00000  1.0 1.0
   43    42    51    52  -0.18600  1.0 3.0
   43    42    51    54   0.00000  1.0 1.0
   51    52    58    59  -0.18600  1.0 3.0
   51    52    58    60   0.28850  1.0 1.0
   51    52    58    60   2.61350 -1.0 2.0
   51    52    58    60   0.78400  1.0 3.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    56   0.00000  1.0 1.0
   52    51    54    57   0.00000  1.0 1.0
   52    58    60    61   7.00000 -1.0 2.0
   52    58    60    62   7.00000 -1.0 2.0
   53    52    58    59   0.00000  1.0 1.0
   53    52    58    60  -0.18600  1.0 3.0
   58    60    62    63  -0.18600  1.0 3.0
   58    60    62    64   0.28850  1.0 1.0
   58    60    62    64   2.61350 -1.0 2.0
   58    60    62    64   0.78400  1.0 3.0
   59    58    60    61   7.00000 -1.0 2.0
   59    58    60    62   7.00000 -1.0 2.0
   60    62    64    65   7.00000 -1.0 2.0
   60    62    64    67   7.00000 -1.0 2.0
   61    60    62    63   0.00000  1.0 1.0
   61    60    62    64  -0.18600  1.0 3.0
   62    64    65    66  -0.18600  1.0 3.0
   62    64    65    71   0.28850  1.0 1.0
   62    64    65    71   2.61350 -1.0 2.0
   62    64    65    71   0.78400  1.0 3.0
   62    64    67    68   0.00000  1.0 1.0
   62    64    67    69   0.00000  1.0 1.0
   62    64    67    70   0.00000  1.0 1.0
   63    62    64    65   7.00000 -1.0 2.0
   63    62    64    67   7.00000 -1.0 2.0
   64    65    71    72   7.00000 -1.0 2.0
   64    65    71    73   7.00000 -1.0 2.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    69   0.00000  1.0 1.0
   65    64    67    70   0.00000  1.0 1.0
   65    71    73    74  -0.18600  1.0 3.0
   65    71    73    75   0.28850  1.0 1.0
   65    71    73    75   2.61350 -1.0 2.0
   65    71    73    75   0.78400  1.0 3.0
   66    65    71    72   7.00000 -1.0 2.0
   66    65    71    73   7.00000 -1.0 2.0
   71    73    75    76   7.00000 -1.0 2.0
   71    73    75    79   7.00000 -1.0 2.0
   72    71    73    74   0.00000  1.0 1.0
   72    71    73    75  -0.18600  1.0 3.0
   73    75    76    77   1.00000 -1.0 2.0
   73    75    76    78  -0.79650  1.0 1.0
   73    75    76    78   1.60950 -1.0 2.0
   73    75    76    78  -0.26250  1.0 3.0
   73    75    79    80   0.00000  1.0 1.0
   73    75    79    81   0.00000  1.0 1.0
   73    75    79    82   0.00000  1.0 1.0
   74    73    75    76   7.00000 -1.0 2.0
   74    73    75    79   7.00000 -1.0 2.0
   76    75    79    80   0.15000  1.0 3.0
   76    75    79    81   0.15000  1.0 3.0
   76    75    79    82   0.15000  1.0 3.0
   79    75    76    77  -0.64400  1.0 1.0
   79    75    76    77   0.26850 -1.0 2.0
   79    75    76    78  -0.07900  1.0 1.0
   79    75    76    78   0.77700 -1.0 2.0
   79    75    76    78   0.13200  1.0 3.0
   67    64    65    66   0.00000  1.0 1.0
   67    64    65    71  -0.18600  1.0 3.0
   54    51    52    53   7.00000 -1.0 2.0
   54    51    52    58   7.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42   0.09850  1.0 1.0
   40    33    38    42   0.15250 -1.0 2.0
   40    33    38    42  -0.50650  1.0 3.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    46   0.00000  1.0 1.0
   41    40    47    48   0.15000  1.0 3.0
   41    40    47    49   0.15000  1.0 3.0
   41    40    47    50   0.15000  1.0 3.0
   44    40    47    48  -0.11250  1.0 3.0
   44    40    47    49  -0.11250  1.0 3.0
   44    40    47    50  -0.11250  1.0 3.0
   47    40    44    45   0.30150 -1.0 2.0
   47    40    44    46   0.74550  1.0 1.0
   47    40    44    46  -0.00500 -1.0 2.0
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
   33    39    38    42  15.00000 -1.0 2.0
   51    43    42    38  15.00000 -1.0 2.0
   42    54    51    52  15.00000 -1.0 2.0
   58    53    52    51  15.00000 -1.0 2.0
   52    59    58    60  15.00000 -1.0 2.0
   62    61    60    58  15.00000 -1.0 2.0
   60    63    62    64  15.00000 -1.0 2.0
   65    67    64    62  15.00000 -1.0 2.0
   64    66    65    71  15.00000 -1.0 2.0
   73    72    71    65  15.00000 -1.0 2.0
   71    74    73    75  15.00000 -1.0 2.0
   76    79    75    73  15.00000 -1.0 2.0
   75    78    76    77  10.50000 -1.0 2.0
   40    46    44    45  10.50000 -1.0 2.0
END
