* LIGAND DATABASE FILE (OPLS2005)
*
001      86    89    155    242     440
    1     0 S   NP   _N1_     1    28.29812    98.40884   -23.10174
    2     1 S   H    _HN1     2     1.02772   111.44293  -119.43172
    3     1 S   H    _H1_     3     1.02947    67.09411   -17.84408
    4     1 S   H    _H2_     4     1.02830    41.26233   147.54557
    5     1 S   CT   _CA1     5     1.50181   134.30835    78.83799
    6     5 S   HC   _HA1     6     1.09576   105.17475   100.60277
    7     5 S   CO3  _C1_     7     1.53805   111.95427   -19.48322
    8     7 S   O2Z  _O11     8     1.26382   115.00202   -50.41229
    9     7 S   O2Z  _O12     9     1.26204   114.92263   128.07024
   10     5 S   CT   _CB1    10     1.53059   107.32665  -141.61303
   11    10 S   HC   HB11    11     1.09839   109.43483   -49.18306
   12    10 S   HC   HB12    12     1.09806   110.47856    67.39021
   13    10 S   CT   _CG1    13     1.53023   112.62175  -170.07584
   14    13 S   HC   HG11    14     1.09591   110.65679   -64.30360
   15    13 S   HC   HG12    15     1.09657   109.82268    54.91375
   16    13 S   C    _CD1    16     1.51874   111.95752   175.42149
   17    16 S   O    _OE1    17     1.22801   123.23705     8.48063
   18    16 S   N    _N2_    18     1.38429   111.94753  -171.94436
   19    18 S   H    _HN2    19     1.01927   119.11573     2.04478
   20    18 S   CT1  _CA2    20     1.45831   122.86366   179.49993
   21    20 S   HC   _HA2    21     1.09744   108.62193    30.86753
   22    20 S   C    _C2_    22     1.52976   107.51327   -86.33243
   23    22 S   O    _O2_    23     1.22952   123.21743   -26.33425
   24    20 S   CT   _CB2    32     1.53259   111.97050   153.86143
   25    24 S   HC   HB21    33     1.09303   109.37715    56.51491
   26    24 S   HC   HB22    34     1.09508   110.39391   174.68618
   27    22 S   N    _N3_    24     1.38548   112.44291   156.29052
   28    27 S   H    _HN3    25     1.01644   120.33708    -1.91908
   29    24 S   S    _SG2    35     1.82845   110.74982   -65.91894
   30    27 S   CT   _CA3    26     1.45350   122.50289   178.69764
   31    30 S   HC   HA31    27     1.09563   107.79849   -56.72231
   32    30 S   HC   HA32    28     1.09564   107.62479    59.61834
   33    29 S   CT   _C18    36     1.87536   102.13792   153.00198
   34    30 S   CO3  _C3_    29     1.52897   114.29700  -178.53233
   35    34 S   O2Z  _O31    30     1.26344   116.04874     2.49293
   36    34 S   O2Z  _O32    31     1.26440   114.42404  -177.55760
   37    33 S   CT   _C16    37     1.56029   104.69388   177.60118
   38    37 S   HC   _H9_    38     1.09561   111.37350   -57.37454
   39    37 S   HC   _H10    39     1.09540   111.36854    60.49558
   40    33 S   CT   _C20    73     1.56555   109.56066    56.65198
   41    40 S   HC   _H15    74     1.09528   110.03261   -60.39352
   42    40 S   HC   _H16    75     1.09565   110.12886  -176.21996
   43    37 S   S    _S2_    40     1.83052   114.52636  -177.91240
   44    40 S   S    _S3_    76     1.82924   116.33345    63.05106
   45    43 S   C4T  _C17    41     1.82558    96.46926   -58.19703
   46    45 S   HC   _H11    42     1.09441   114.45239   -79.91703
   47    44 S   CO4  _C14    77     1.76420    99.52876  -178.95582
   48    47 S   O    _O33    78     1.22537   121.11955    39.94684
   49    45 S   C4T  _C4_    43     1.55664   115.77943   144.17415
   50    49 S   HC   _H4_    44     1.09632   113.44693   137.28059
   51    45 S   N4   _N8_    47     1.45421   109.42021    48.13855
   52    47 S   C5A  _C11    79     1.44095   114.32248  -140.96042
   53    49 S   C4   _C5_    45     1.55319    85.22633  -109.78285
   54    53 S   O    _O1_    46     1.20900   136.73101   177.53558
   55    33 S   CT1  _C21    48     1.56741   111.01087   -63.27352
   56    55 S   HC   _H19    49     1.09845   108.50566    80.55381
   57    49 S   N    _N4_    53     1.47629   116.96382     5.22847
   58    57 S   H    _H3_    54     1.01757   119.06642     3.35328
   59    52 S   C5BC _C7_    80     1.38448   134.53824     5.28038
   60    59 S   HA   _H6_    81     1.08111   126.72757    -0.18452
   61    55 S   CO3  _C22    50     1.55010   116.80280   -39.27218
   62    61 S   O2Z  _O6_    51     1.26575   114.61314   113.09399
   63    61 S   O2Z  _O7_    52     1.26229   116.12994   -67.05346
   64    57 S   C    _C15    55     1.37766   122.79606  -174.40606
   65    64 S   O    _O3_    56     1.22020   128.50582    -2.47512
   66    59 S   C5BC _C6_    82     1.41601   106.96364   179.52522
   67    66 S   HA   _H5_    83     1.08045   127.58215  -179.88809
   68    64 S   CD   _C13    57     1.50630   112.54907   176.72201
   69    66 S   C5A  _C8_    84     1.37251   106.07242     0.08393
   70    69 S   HA   _H7_    85     1.08029   133.82074  -179.98022
   71    68 S   C5B  _C10    58     1.45247   119.58012   -83.27238
   72    68 S   NI   _N6_    67     1.29794   121.72244    96.13600
   73    52 S   OA   _O4_    86     1.37110   116.56692  -175.21128
   74    71 S   C5A  _C9_    59     1.38169   125.63035   179.89721
   75    74 S   HA   _H8_    60     1.08108   128.85393     0.33572
   76    72 S   OS   _O5_    68     1.40196   111.34549    -0.02798
   77    74 S   SA   _S1_    61     1.71119   110.14041  -179.58788
   78    76 S   CT   _C19    69     1.41973   108.16996   179.55765
   79    78 S   HC   _H12    70     1.09316   108.47196  -180.00000
   80    78 S   HC   _H13    71     1.09443   110.33168    60.98293
   81    78 S   HC   _H14    72     1.09443   110.33692   -60.97484
   82    77 S   CRA  _C12    62     1.72256    89.92372    -0.08847
   83    71 S   N5B  _N5_    63     1.38752   119.97257     0.46352
   84    82 S   NE   _N7_    64     1.34557   120.41056  -179.88131
   85    84 S   H    _H17    65     1.01448   121.58936  -178.44103
   86    84 S   H    _H18    66     1.01413   122.03092    -1.75636
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  17   2   1   1  14   5   4  11   4   3   8   6  12   6   7   3
  10   6   8   7   7   2   4   3   6   3   6   4   2   1   1   7
   3   4   3   9   2   1   8   7   1   5   3   4   5   3   2   1
   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    55    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    51    55    56    61    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    45    53    51    55    56    61    62    63    40    41    42    44    47  
   35    36  
   36  
    0  
   38    39    43    45    46    49    51    55    56    61    40    41    42    44  
   39    43    45    55    40  
   43    45    55    40  
   41    42    44    47    48    52    43    51    55    56    61  
   42    44    47    55  
   44    47    55  
   45    46    49    50    53    51    55    57  
   47    48    52    59    73    55  
   46    49    50    53    54    51    55    56    61    57    58    64  
   49    50    53    51    55    57  
   48    52    59    60    66    69    73  
   52    59    73  
   50    53    54    51    55    57    58    64    65    68  
   53    54    51    57    58    64  
   55    56    61    62    63    57    53    54  
   59    60    66    67    69    70    73  
   54    55    56    61    57    58    64  
   55    57  
   56    61    62    63  
   61    62    63  
   58    64    65    68    71    72  
   64    65    68  
   60    66    67    69    70    73  
   66    67    69    73  
   62    63  
   63  
    0  
   65    68    71    74    83    72    76  
   68    71    72  
   67    69    70    73  
   69    70    73  
   71    74    75    77    82    83    72    76    78  
   70    73  
   73  
   74    75    77    82    83    84    72    76  
   76    78    79    80    81    74    83  
    0  
   75    77    82    83    84  
   77    82    83  
   78    79    80    81  
   82    83    84    85    86  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   44   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   45   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.7500   0.1050   0.597400   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   52   3.5500   0.0700   0.008000   2.0020   1.7750   0.001000000  -0.843144165
   53   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   55   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   58   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   59   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   61   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   64   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   66   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   68   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
   69   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   72   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   73   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   74   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   76   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   77   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   78   3.5000   0.0660   0.042500   1.9750   1.7500   0.005000000  -0.741685710
   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
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   83   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   84   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   85   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   86   0.5000   0.0300   0.360000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    55   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   222.000  1.810
   43    45   200.000  1.824
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    51   305.000  1.456
   49    50   340.000  1.090
   49    53   250.000  1.540
   49    57   337.000  1.449
   53    54   930.000  1.212
   53    51   440.000  1.369
   51    55   337.000  1.449
   55    56   340.000  1.090
   55    61   317.000  1.522
   61    62   656.000  1.250
   61    63   656.000  1.250
   57    58   434.000  1.010
   57    64   490.000  1.335
   64    65   570.000  1.229
   64    68   270.000  1.486
   68    71   305.000  1.466
   68    72   500.000  1.261
   71    74   520.000  1.370
   71    83   410.000  1.394
   74    75   367.000  1.080
   74    77   265.000  1.745
   77    82   250.000  1.765
   82    83   488.000  1.335
   82    84   420.000  1.385
   84    85   434.000  1.010
   84    86   434.000  1.010
   72    76   320.000  1.394
   76    78   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   222.000  1.810
   44    47   210.000  1.799
   47    48   570.000  1.229
   47    52   335.000  1.450
   52    59   546.000  1.367
   52    73   340.000  1.360
   59    60   367.000  1.080
   59    66   469.000  1.424
   66    67   367.000  1.080
   66    69   546.000  1.367
   69    70   367.000  1.080
   69    73   340.000  1.360
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    55    75.00000  108.68000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    75.00000  111.63000
   33    55    51    80.00000  109.70000
   33    55    56    37.50000  110.70000
   33    55    61    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    75.00000  111.63000
   37    43    45    85.00000   99.86700
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    45.00000  109.41400
   43    45    49    65.00000  119.05700
   43    45    51    80.00000  108.62000
   45    49    50    37.50000  110.70000
   45    49    53   100.00000   86.36000
   45    49    57    80.00000  110.05700
   45    51    53   100.00000   93.00000
   45    51    55    50.00000  132.70000
   49    45    46    37.50000  110.70000
   49    53    54    60.00000  136.58000
   49    53    51    95.00000   92.72400
   49    57    58    38.00000  118.40000
   49    57    64    50.00000  121.90000
   53    49    50    40.00000  113.37500
   53    51    55    50.00000  132.10000
   51    45    46    50.00000  112.01000
   51    45    49   105.00000   87.49700
   51    53    54    75.00000  131.60000
   51    55    56    35.00000  109.50000
   51    55    61    63.00000  110.10000
   55    33    37    58.35000  112.70000
   55    61    62    70.00000  117.00000
   55    61    63    70.00000  117.00000
   61    55    56    35.00000  109.50000
   63    61    62    80.00000  126.00000
   57    49    50    50.00000  112.01000
   57    49    53    75.00000  110.24000
   57    64    65    80.00000  122.90000
   57    64    68    75.00000  109.57000
   64    57    58    35.00000  119.80000
   64    68    71    75.00000  114.44000
   64    68    72    65.00000  123.79500
   68    64    65    80.00000  120.45000
   68    71    74    60.00000  121.09900
   68    71    83    60.00000  126.00000
   68    72    76   100.00000  109.52600
   71    74    75    35.00000  130.70000
   71    74    77    80.00000  111.29200
   71    83    82    70.00000  110.00000
   74    77    82   120.00000   89.04400
   77    74    75    40.00000  122.38200
   77    82    83    80.00000  114.57700
   77    82    84    70.00000  122.29500
   82    84    85    35.00000  113.50000
   82    84    86    35.00000  113.50000
   83    71    74    70.00000  111.00000
   84    82    83    75.00000  125.31200
   86    84    85    35.00000  109.00000
   72    68    71    65.00000  124.33800
   72    76    78   110.00000  106.71400
   76    78    79    35.00000  109.50000
   76    78    80    35.00000  109.50000
   76    78    81    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    55    58.35000  112.70000
   40    44    47    90.00000   96.72000
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    47    48    80.00000  121.30200
   44    47    52    80.00000  111.80000
   47    52    59    55.00000  130.80000
   47    52    73    80.00000  119.06000
   52    47    48    80.00000  122.40000
   52    59    60    35.00000  125.70000
   52    59    66    70.00000  107.30000
   52    73    69    70.00000  106.50000
   59    66    67    35.00000  127.50000
   59    66    69    70.00000  107.30000
   66    59    60    35.00000  127.50000
   66    69    70    35.00000  132.10000
   66    69    73    70.00000  110.60000
   69    66    67    35.00000  125.70000
   73    52    59    70.00000  110.60000
   73    69    70    35.00000  113.40000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    55    51   0.71400  1.0 1.0
   29    33    55    51   0.04300 -1.0 2.0
   29    33    55    51   0.01450  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    61  -2.17200  1.0 1.0
   29    33    55    61  -0.85700 -1.0 2.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   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
   33    37    43    45  -0.25000 -1.0 2.0
   33    37    43    45  -0.01800  1.0 3.0
   33    55    61    62   0.00000  1.0 1.0
   33    55    61    63   0.00000  1.0 1.0
   33    40    44    47   0.00000  1.0 1.0
   37    33    55    51   0.42250  1.0 1.0
   37    33    55    51  -0.48100 -1.0 2.0
   37    33    55    51   0.35650  1.0 3.0
   37    33    55    56   0.15000  1.0 3.0
   37    33    55    61  -0.84850  1.0 1.0
   37    33    55    61  -0.22800 -1.0 2.0
   37    33    55    61   0.29250  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    44   0.44750  1.0 1.0
   37    33    40    44  -0.17800 -1.0 2.0
   37    33    40    44   0.20200  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    49   0.25150  1.0 1.0
   37    43    45    49  -1.17200 -1.0 2.0
   37    43    45    49   0.53050  1.0 3.0
   37    43   -45    51   0.01700  1.0 1.0
   37    43   -45    51  -0.23550 -1.0 2.0
   37    43   -45    51   0.21350  1.0 3.0
   38    37    43    45   0.32350  1.0 3.0
   39    37    43    45   0.32350  1.0 3.0
   43    45    49    50   0.00000  1.0 1.0
   43    45    49    53   0.00000  1.0 1.0
   43    45    49    57   0.00000  1.0 1.0
   43    45   -51    53   0.00000  1.0 1.0
   43    45    51    55   0.00000  1.0 1.0
   45    49    53    54  -0.11250  1.0 1.0
   45    49    53    54   0.11400 -1.0 2.0
   45    49    53    54  -0.28950  1.0 3.0
   45    49   -53    51   3.00000 -1.0 2.0
   45    49    57    58   0.00000  1.0 1.0
   45    49    57    64  -0.43950  1.0 1.0
   45    49    57    64  -0.08100 -1.0 2.0
   45    49    57    64   0.03350  1.0 3.0
   45    51   -55    33   0.00000  1.0 1.0
   45    51    55    56   0.00000  1.0 1.0
   45    51    55    61   0.00000  1.0 1.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    53   0.15000  1.0 3.0
   46    45    49    57   0.15000  1.0 3.0
   46    45   -51    53   0.00000  1.0 1.0
   46    45    51    55   0.00000  1.0 1.0
   49    45   -51    53   0.00000  1.0 1.0
   49    45    51    55   0.00000  1.0 1.0
   49    53   -51    45   3.00000 -1.0 2.0
   49    53   -51    55   3.00000 -1.0 2.0
   49    57    64    65   3.04450 -1.0 2.0
   49    57    64    68   1.49850  1.0 1.0
   49    57    64    68   1.53950 -1.0 2.0
   50    49    53    54   0.00000  1.0 1.0
   50    49    53    51   0.00000  1.0 1.0
   50    49    57    58   0.00000  1.0 1.0
   50    49    57    64   0.00000  1.0 1.0
   53    49    57    58   0.00000  1.0 1.0
   53    49    57    64  -0.42300  1.0 1.0
   53    49    57    64  -0.07000 -1.0 2.0
   53    49    57    64   0.04150  1.0 3.0
   53    51    55    33   0.00000  1.0 1.0
   53    51    55    56   0.00000  1.0 1.0
   53    51    55    61   0.00000  1.0 1.0
   54    53   -51    45   3.00000 -1.0 2.0
   54    53    51    55   3.00000 -1.0 2.0
   51    45   -49    50   0.15000  1.0 3.0
   51    45   -49    53   3.00000 -1.0 2.0
   51    45    49    57   2.20050  1.0 1.0
   51    45    49    57   0.63450 -1.0 2.0
   51    45    49    57  -0.91300  1.0 3.0
   51    55    61    62   0.00000  1.0 1.0
   51    55    61    63   0.00000  1.0 1.0
   55    33    37    38   0.15000  1.0 3.0
   55    33    37    39   0.15000  1.0 3.0
   55    33   -37    43   0.44750  1.0 1.0
   55    33   -37    43  -0.17800 -1.0 2.0
   55    33   -37    43   0.20200  1.0 3.0
   55    33    40    41   0.15000  1.0 3.0
   55    33    40    42   0.15000  1.0 3.0
   55    33    40    44   0.44750  1.0 1.0
   55    33    40    44  -0.17800 -1.0 2.0
   55    33    40    44   0.20200  1.0 3.0
   56    55    61    62   0.00000  1.0 1.0
   56    55    61    63   0.00000  1.0 1.0
   57    49    53    54   0.30150 -1.0 2.0
   57    49   -53    51   0.00000  1.0 1.0
   57    64    68    71   1.50000 -1.0 2.0
   57    64    68    72   1.50000 -1.0 2.0
   58    57    64    65   2.45000 -1.0 2.0
   58    57    64    68   2.56700 -1.0 2.0
   64    68    71    74   0.30050 -1.0 2.0
   64    68    71    74   0.16600  1.0 3.0
   64    68    71    83   0.30050 -1.0 2.0
   64    68    71    83   0.16600  1.0 3.0
   64    68    72    76   6.00000 -1.0 2.0
   65    64    68    71   1.00000 -1.0 2.0
   65    64    68    72   1.00000 -1.0 2.0
   68    71    74    75   3.62500 -1.0 2.0
   68    71    74    77   3.62500 -1.0 2.0
   68    71    83    82   3.62500 -1.0 2.0
   68    72    76    78   1.50000 -1.0 2.0
   71    68    72    76   6.00000 -1.0 2.0
   71    74   -77    82   3.62500 -1.0 2.0
   74    71   -83    82   2.40000 -1.0 2.0
   74    77   -82    83   3.62500 -1.0 2.0
   74    77    82    84   3.62500 -1.0 2.0
   75    74    77    82   3.62500 -1.0 2.0
   77    82   -83    71   3.62500 -1.0 2.0
   77    82    84    85   0.47600 -1.0 2.0
   77    82    84    86   0.47600 -1.0 2.0
   83    71    74    75   3.62500 -1.0 2.0
   83    71   -74    77   3.62500 -1.0 2.0
   83    82    84    85   1.75000 -1.0 2.0
   83    82    84    86   1.75000 -1.0 2.0
   84    82    83    71   3.62500 -1.0 2.0
   72    68    71    74   1.02250 -1.0 2.0
   72    68    71    83   1.02250 -1.0 2.0
   72    76    78    79   0.37500  1.0 3.0
   72    76    78    80   0.37500  1.0 3.0
   72    76    78    81   0.37500  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43   0.44750  1.0 1.0
   40    33    37    43  -0.17800 -1.0 2.0
   40    33    37    43   0.20200  1.0 3.0
   40    33    55    51   0.42250  1.0 1.0
   40    33    55    51  -0.48100 -1.0 2.0
   40    33    55    51   0.35650  1.0 3.0
   40    33    55    56   0.15000  1.0 3.0
   40    33    55    61  -0.84850  1.0 1.0
   40    33    55    61  -0.22800 -1.0 2.0
   40    33    55    61   0.29250  1.0 3.0
   40    44    47    48  -0.11550  1.0 1.0
   40    44    47    48   1.88700 -1.0 2.0
   40    44    47    52  -0.11550  1.0 1.0
   40    44    47    52   1.88700 -1.0 2.0
   41    40    44    47   0.24000  1.0 3.0
   42    40    44    47   0.24000  1.0 3.0
   44    47    52    59   0.56600 -1.0 2.0
   44    47    52    73   0.56600 -1.0 2.0
   47    52    59    60   3.62500 -1.0 2.0
   47    52    59    66   3.62500 -1.0 2.0
   47    52    73    69   3.62500 -1.0 2.0
   48    47    52    59   1.05000 -1.0 2.0
   48    47    52    73   1.05000 -1.0 2.0
   52    59    66    67   3.62500 -1.0 2.0
   52    59   -66    69   3.62500 -1.0 2.0
   59    52   -73    69   3.62500 -1.0 2.0
   59    66    69    70   3.62500 -1.0 2.0
   59    66   -69    73   3.62500 -1.0 2.0
   60    59    66    67   3.62500 -1.0 2.0
   60    59    66    69   3.62500 -1.0 2.0
   66    69   -73    52   3.62500 -1.0 2.0
   67    66    69    70   3.62500 -1.0 2.0
   67    66    69    73   3.62500 -1.0 2.0
   70    69    73    52   3.62500 -1.0 2.0
   73    52    59    60   3.62500 -1.0 2.0
   73    52   -59    66   3.62500 -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
   36    30    34    35  10.50000 -1.0 2.0
   49    51    53    54  10.50000 -1.0 2.0
   55    53    51    45   1.00000 -1.0 2.0
   62    55    61    63  10.50000 -1.0 2.0
   58    64    57    49   1.00000 -1.0 2.0
   57    68    64    65  10.50000 -1.0 2.0
   64    71    68    72  10.50000 -1.0 2.0
   74    83    71    68   4.00000 -1.0 2.0
   77    75    74    71   1.10000 -1.0 2.0
   83    84    82    77   4.00000 -1.0 2.0
   86    82    84    85   1.00000 -1.0 2.0
   44    52    47    48  10.50000 -1.0 2.0
   59    73    52    47   4.00000 -1.0 2.0
   66    60    59    52   1.10000 -1.0 2.0
   69    67    66    59   1.10000 -1.0 2.0
   73    70    69    66   1.10000 -1.0 2.0
END
