* LIGAND DATABASE FILE (OPLS2005)
*
001      80    79    140    203     409
    1     0 S   NP   _N1_     1    29.06281    94.84080   -25.90475
    2     1 S   H    _HN1     2     1.02783   119.27549   -93.60365
    3     1 S   H    _H1_     3     1.02955    79.01764    11.41370
    4     1 S   H    _H2_     4     1.02823    28.08250  -166.08617
    5     1 S   CT   _CA1     5     1.50138   121.18026   118.67178
    6     5 S   HC   _HA1     6     1.09576   105.16746    88.34575
    7     5 S   CO3  _C1_     7     1.53787   112.50994   -31.78289
    8     7 S   O2Z  _O11     8     1.26368   115.01813   -40.61679
    9     7 S   O2Z  _O12     9     1.26247   114.94847   138.44435
   10     5 S   CT   _CB1    10     1.53068   107.37716  -153.72780
   11    10 S   HC   HB11    11     1.09832   109.27697   -49.88792
   12    10 S   HC   HB12    12     1.09815   110.44847    66.67899
   13    10 S   CT   _CG1    13     1.52988   112.69292  -170.92212
   14    13 S   HC   HG11    14     1.09582   110.57305   -66.55703
   15    13 S   HC   HG12    15     1.09670   109.84876    52.70346
   16    13 S   C    _CD1    16     1.51791   112.24024   173.03170
   17    16 S   O    _OE1    17     1.22721   123.31057     4.47882
   18    16 S   N    _N2_    18     1.38661   111.67303  -175.23914
   19    18 S   H    _HN2    19     1.01584   119.06798     1.77674
   20    18 S   CT1  _CA2    20     1.46059   123.28174   177.79061
   21    20 S   HC   _HA2    21     1.09513   108.98624     6.06527
   22    20 S   C    _C2_    22     1.53645   110.11332  -108.64883
   23    22 S   O    _O2_    23     1.23093   121.96597  -157.44320
   24    20 S   CT   _CB2    32     1.53240   111.23002   128.30892
   25    24 S   HC   HB21    33     1.09640   109.47285    57.16410
   26    24 S   HC   HB22    34     1.09227   111.43104   174.33493
   27    22 S   N    _N3_    24     1.38216   114.13000    30.41493
   28    27 S   H    _HN3    25     1.01552   119.57140    -4.57937
   29    24 S   S    _SG2    35     1.83130   114.42525   -62.40356
   30    27 S   CT   _CA3    26     1.45272   123.21801   176.66217
   31    30 S   HC   HA31    27     1.09557   107.70415   -58.83001
   32    30 S   HC   HA32    28     1.09552   107.78166    57.58875
   33    29 S   CT   _C14    36     1.83227   100.96586   -66.18151
   34    33 S   HC   _H5_    37     1.09245   107.78608    60.86978
   35    30 S   CO3  _C3_    29     1.52960   114.04125   179.33559
   36    35 S   O2Z  _O31    30     1.26385   116.05965    -3.38934
   37    35 S   O2Z  _O32    31     1.26423   114.43757   176.59987
   38    33 S   CM   _C15    38     1.50918   109.28877  -178.55585
   39    38 S   HC   _H19    39     1.09122   115.69492    49.24195
   40    33 S   C    _C13    47     1.52638   109.89933   -60.63987
   41    40 S   O    _O36    48     1.22984   123.01092   -60.68169
   42    38 S   CMA  _C16    40     1.35514   126.41238  -131.71096
   43    42 S   OM   _O37    41     1.26805   125.48511    -0.23985
   44    40 S   N    _N5_    49     1.38778   112.62834   119.08730
   45    44 S   H    _H18    50     1.01536   119.20962     1.92925
   46    42 S   OS   _O38    42     1.42227   109.34837  -179.66662
   47    44 S   CT   _C12    51     1.45614   123.57881  -179.62885
   48    47 S   HC   _H16    52     1.09628   105.36927  -145.71136
   49    47 S   HC   _H17    53     1.09573   109.09887   -30.24973
   50    46 S   CT   _C17    43     1.42628   115.61134  -170.66742
   51    50 S   HC   _H20    44     1.09409   107.75883   177.48518
   52    50 S   HC   _H21    45     1.09513   111.06546    59.48297
   53    50 S   HC   _H22    46     1.09497   111.03528   -64.59538
   54    47 S   CT1  _C11    54     1.53392   111.70154    94.28664
   55    54 S   HC   _H4_    55     1.09568   109.78840    41.62470
   56    54 S   C    _C10    56     1.52850   111.66717   -81.39987
   57    56 S   O    _O35    57     1.22996   122.67535   -44.68571
   58    54 S   NT   _N6_    78     1.46737   110.03002   161.15212
   59    58 S   H    _H23    79     1.01921   109.55363   -60.77010
   60    58 S   H    _H24    80     1.01995   109.37193  -176.67316
   61    56 S   N    _N4_    58     1.38656   112.91561   137.57447
   62    61 S   H    _H15    59     1.01736   119.83072    -1.15961
   63    61 S   CT1  _C8_    60     1.46631   122.93147   179.26405
   64    63 S   HC   _H3_    61     1.09620   106.53639    36.83900
   65    63 S   CO3  _C9_    62     1.54266   110.43544   155.29771
   66    65 S   O2Z  _O34    63     1.26361   115.78524    70.51491
   67    65 S   O2Z  _O33    64     1.26438   114.76881  -108.88228
   68    63 S   CTD  _C7_    65     1.53807   109.82018   -81.58724
   69    68 S   HC   _H13    66     1.09854   109.05889    54.94941
   70    68 S   HC   _H14    67     1.09875   109.25859   -59.78049
   71    68 S   CT   _C5_    68     1.54275   115.04217   177.39015
   72    71 S   HC   _H9_    69     1.09657   109.30420    59.08784
   73    71 S   CT   _C4_    70     1.52925   112.41727   -61.10411
   74    73 S   HC   _H6_    71     1.09522   111.25885   -55.37658
   75    73 S   HC   _H7_    72     1.09403   111.38322    65.45379
   76    73 S   HC   _H8_    73     1.09544   110.75996  -175.44379
   77    71 S   CT   _C6_    74     1.53137   109.66381   176.60985
   78    77 S   HC   _H10    75     1.09538   111.30933    61.96004
   79    77 S   HC   _H11    76     1.09516   110.81171   -58.33985
   80    77 S   HC   _H12    77     1.09522   110.82412  -177.80037
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  11   6   2   1   1   8   4   8   3   6   2   8   4   4  10   5
   4   3   2   1   1   9   6  10   4   3   1   1  10   4  11   7
   6   2   1  12   5   4   9   8   7   3   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  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    40    41    44    45    47  
   38    39    42    40    41    44  
   36    37  
   37  
    0  
   39    42    43    46    50    40    41    44  
   42    43    46    40  
   41    44    45    47    48    49    54    42  
   44    45    47  
   43    46    50    51    52    53  
   46    50  
   45    47    48    49    54    55    56    58  
   47    48    49    54  
   50    51    52    53  
   48    49    54    55    56    57    61    58    59    60  
   49    54    55    56    58  
   54    55    56    58  
   51    52    53  
   52    53  
   53  
    0  
   55    56    57    61    62    63    58    59    60  
   56    57    61    58    59    60  
   57    61    62    63    64    65    68    58    59    60  
   61    62    63    58  
   59    60    61  
   60  
    0  
   62    63    64    65    66    67    68    69    70    71  
   63    64    65    68  
   64    65    66    67    68    69    70    71    72    73    77  
   65    66    67    68    69    70    71  
   66    67    68    69    70    71  
   67    68  
   68  
   69    70    71    72    73    74    75    76    77    78    79    80  
   70    71    72    73    77  
   71    72    73    77  
   72    73    74    75    76    77    78    79    80  
   73    74    75    76    77    78    79    80  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   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   0.107500   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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   45   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   46   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.163900   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   58   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   59   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   60   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   62   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   63   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   317.000  1.522
   38    39   340.000  1.080
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    46   440.000  1.360
   46    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   40    41   570.000  1.229
   40    44   490.000  1.335
   44    45   434.000  1.010
   44    47   337.000  1.449
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    54   268.000  1.529
   54    55   340.000  1.090
   54    56   317.000  1.522
   54    58   305.000  1.457
   56    57   570.000  1.229
   56    61   490.000  1.335
   61    62   434.000  1.010
   61    63   337.000  1.449
   63    64   340.000  1.090
   63    65   317.000  1.522
   63    68   268.000  1.529
   65    66   656.000  1.250
   65    67   656.000  1.250
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   340.000  1.090
   71    73   268.000  1.529
   71    77   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   58    59   434.000  1.010
   58    60   434.000  1.010
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    70.00000  112.33000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    80.00000  120.40000
   33    40    44    70.00000  116.60000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    46    80.00000  120.01400
   42    38    39    40.00000  120.50800
   42    46    50    90.00000  111.18400
   46    42    43    65.00000  121.00000
   46    50    51    35.00000  109.50000
   46    50    52    35.00000  109.50000
   46    50    53    35.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  115.00700
   40    44    45    35.00000  119.80000
   40    44    47    50.00000  121.90000
   44    40    41    80.00000  122.90000
   44    47    48    35.00000  109.50000
   44    47    49    35.00000  109.50000
   44    47    54    70.00000  110.72300
   47    44    45    38.00000  118.40000
   47    54    55    37.50000  110.70000
   47    54    56    63.00000  111.10000
   47    54    58    80.00000  111.22000
   49    47    48    33.00000  107.80000
   54    47    48    37.50000  110.70000
   54    47    49    37.50000  110.70000
   54    56    57    80.00000  120.40000
   54    56    61    70.00000  116.60000
   54    58    59    50.00000  111.55300
   54    58    60    50.00000  111.55300
   56    54    55    35.00000  109.50000
   56    61    62    35.00000  119.80000
   56    61    63    50.00000  121.90000
   61    56    57    80.00000  122.90000
   61    63    64    35.00000  109.50000
   61    63    65    63.00000  110.10000
   61    63    68    80.00000  109.70000
   63    61    62    38.00000  118.40000
   63    65    66    70.00000  117.00000
   63    65    67    70.00000  117.00000
   63    68    69    37.50000  110.70000
   63    68    70    37.50000  110.70000
   63    68    71    58.35000  112.70000
   65    63    64    35.00000  109.50000
   67    65    66    80.00000  126.00000
   68    63    64    37.50000  110.70000
   68    63    65    63.00000  111.10000
   68    71    72    37.50000  110.70000
   68    71    73    58.35000  112.70000
   68    71    77    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    73    74    37.50000  110.70000
   71    73    75    37.50000  110.70000
   71    73    76    37.50000  110.70000
   71    77    78    37.50000  110.70000
   71    77    79    37.50000  110.70000
   71    77    80    37.50000  110.70000
   73    71    72    37.50000  110.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    71    72    37.50000  110.70000
   77    71    73    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   58    54    55    50.00000  109.55000
   58    54    56    75.00000  111.54000
   60    58    59    43.60000  106.40000
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   0.30150 -1.0 2.0
   29    33    40    44   0.00000  1.0 1.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    40    44    45   2.45000 -1.0 2.0
   33    40    44    47   1.49850  1.0 1.0
   33    40    44    47   1.53950 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.00000  1.0 1.0
   34    33    40    44   0.00000  1.0 1.0
   38    33    40    41   0.30150 -1.0 2.0
   38    33    40    44   0.00000  1.0 1.0
   38    42    46    50  -2.26850  1.0 1.0
   38    42    46    50   3.39050 -1.0 2.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   42    46    50    51   0.08050  1.0 3.0
   42    46    50    52   0.08050  1.0 3.0
   42    46    50    53   0.08050  1.0 3.0
   43    42    46    50   2.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.51250  1.0 1.0
   40    33    38    42  -0.88800 -1.0 2.0
   40    33    38    42   0.08850  1.0 3.0
   40    44    47    48   0.00000  1.0 1.0
   40    44    47    49   0.00000  1.0 1.0
   40    44    47    54  -0.43950  1.0 1.0
   40    44    47    54  -0.08100 -1.0 2.0
   40    44    47    54   0.03350  1.0 3.0
   41    40    44    45   2.45000 -1.0 2.0
   41    40    44    47   3.04450 -1.0 2.0
   44    47    54    55   0.15000  1.0 3.0
   44    47    54    56  -2.10200  1.0 1.0
   44    47    54    56  -0.31600 -1.0 2.0
   44    47    54    56   0.13050  1.0 3.0
   44    47    54    58   2.65250  1.0 1.0
   44    47    54    58   0.86150 -1.0 2.0
   45    44    47    48   0.00000  1.0 1.0
   45    44    47    49   0.00000  1.0 1.0
   45    44    47    54   0.00000  1.0 1.0
   47    54    56    57   0.00000  1.0 1.0
   47    54    56    61   0.93250  1.0 1.0
   47    54    56    61   0.04450 -1.0 2.0
   47    54    56    61   0.17550  1.0 3.0
   47    54    58    59  -0.05950  1.0 1.0
   47    54    58    59   0.08850 -1.0 2.0
   47    54    58    59   0.11750  1.0 3.0
   47    54    58    60  -0.05950  1.0 1.0
   47    54    58    60   0.08850 -1.0 2.0
   47    54    58    60   0.11750  1.0 3.0
   48    47    54    55   0.15000  1.0 3.0
   48    47    54    56  -0.03800  1.0 3.0
   48    47    54    58   0.15000  1.0 3.0
   49    47    54    55   0.15000  1.0 3.0
   49    47    54    56  -0.03800  1.0 3.0
   49    47    54    58   0.15000  1.0 3.0
   54    56    61    62   2.45000 -1.0 2.0
   54    56    61    63   1.15000  1.0 1.0
   54    56    61    63   3.04450 -1.0 2.0
   55    54    56    57   0.00000  1.0 1.0
   55    54    56    61   0.00000  1.0 1.0
   55    54    58    59   0.20000  1.0 3.0
   55    54    58    60   0.20000  1.0 3.0
   56    54    58    59   0.21900  1.0 1.0
   56    54    58    59  -0.24900 -1.0 2.0
   56    54    58    59   0.15200  1.0 3.0
   56    54    58    60   0.21900  1.0 1.0
   56    54    58    60  -0.24900 -1.0 2.0
   56    54    58    60   0.15200  1.0 3.0
   56    61    63    64   0.00000  1.0 1.0
   56    61    63    65  -0.29800  1.0 1.0
   56    61    63    65   0.13950 -1.0 2.0
   56    61    63    65  -2.45650  1.0 3.0
   56    61    63    68   0.25950  1.0 1.0
   56    61    63    68   0.43850 -1.0 2.0
   56    61    63    68   2.61650  1.0 3.0
   57    56    61    62   2.45000 -1.0 2.0
   57    56    61    63   3.04450 -1.0 2.0
   61    63    65    66   0.00000  1.0 1.0
   61    63    65    67   0.00000  1.0 1.0
   61    63    68    69   0.23200  1.0 3.0
   61    63    68    70   0.23200  1.0 3.0
   61    63    68    71   0.26400  1.0 1.0
   61    63    68    71   0.16150 -1.0 2.0
   61    63    68    71   0.25850  1.0 3.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    65   0.00000  1.0 1.0
   62    61    63    68   0.00000  1.0 1.0
   63    68    71    72   0.15000  1.0 3.0
   63    68    71    73   0.65000  1.0 1.0
   63    68    71    73  -0.02500 -1.0 2.0
   63    68    71    73   0.10000  1.0 3.0
   63    68    71    77   0.65000  1.0 1.0
   63    68    71    77  -0.02500 -1.0 2.0
   63    68    71    77   0.10000  1.0 3.0
   64    63    65    66   0.00000  1.0 1.0
   64    63    65    67   0.00000  1.0 1.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    70   0.15000  1.0 3.0
   64    63    68    71   0.15000  1.0 3.0
   65    63    68    69  -0.03800  1.0 3.0
   65    63    68    70  -0.03800  1.0 3.0
   65    63    68    71  -0.45800  1.0 1.0
   65    63    68    71   0.20550 -1.0 2.0
   68    63    65    66   0.00000  1.0 1.0
   68    63    65    67   0.00000  1.0 1.0
   68    71    73    74   0.15000  1.0 3.0
   68    71    73    75   0.15000  1.0 3.0
   68    71    73    76   0.15000  1.0 3.0
   68    71    77    78   0.15000  1.0 3.0
   68    71    77    79   0.15000  1.0 3.0
   68    71    77    80   0.15000  1.0 3.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    73   0.15000  1.0 3.0
   69    68    71    77   0.15000  1.0 3.0
   70    68    71    72   0.15000  1.0 3.0
   70    68    71    73   0.15000  1.0 3.0
   70    68    71    77   0.15000  1.0 3.0
   72    71    73    74   0.15000  1.0 3.0
   72    71    73    75   0.15000  1.0 3.0
   72    71    73    76   0.15000  1.0 3.0
   72    71    77    78   0.15000  1.0 3.0
   72    71    77    79   0.15000  1.0 3.0
   72    71    77    80   0.15000  1.0 3.0
   73    71    77    78   0.15000  1.0 3.0
   73    71    77    79   0.15000  1.0 3.0
   73    71    77    80   0.15000  1.0 3.0
   77    71    73    74   0.15000  1.0 3.0
   77    71    73    75   0.15000  1.0 3.0
   77    71    73    76   0.15000  1.0 3.0
   58    54    56    57   0.30150 -1.0 2.0
   58    54    56    61   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42  15.00000 -1.0 2.0
   43    46    42    38  15.00000 -1.0 2.0
   33    44    40    41  10.50000 -1.0 2.0
   45    40    44    47   1.00000 -1.0 2.0
   54    61    56    57  10.50000 -1.0 2.0
   62    56    61    63   1.00000 -1.0 2.0
   66    63    65    67  10.50000 -1.0 2.0
END
