* LIGAND DATABASE FILE (OPLS2005)
*
001      88    90    159    249     463
    1     0 S   NP   _N1_     1    28.73831    95.60866   -20.68116
    2     1 S   H    _HN1     2     1.02838    36.19216   164.76924
    3     1 S   H    _H1_     3     1.02778    84.44004   -64.24558
    4     1 S   H    _H2_     4     1.02961    89.50156    44.23275
    5     1 S   CT   _CA1     5     1.50132   146.74546   172.70284
    6     5 S   HC   _HA1     6     1.09581   105.20171    54.08595
    7     5 S   CO3  _C1_     7     1.53821   112.33140   -65.97690
    8     7 S   O2Z  _O11     8     1.26343   114.95978   -44.41865
    9     7 S   O2Z  _O12     9     1.26245   114.87398   134.52569
   10     5 S   CT   _CB1    10     1.53099   107.39940   171.85565
   11    10 S   HC   HB11    11     1.09811   109.26463   -51.30713
   12    10 S   HC   HB12    12     1.09822   110.46779    65.25959
   13    10 S   CT   _CG1    13     1.52953   112.62111  -172.51900
   14    13 S   HC   HG11    14     1.09494   110.14693   -63.22864
   15    13 S   HC   HG12    15     1.09638   110.17518    55.78659
   16    13 S   C    _CD1    16     1.51832   112.36047   175.86208
   17    16 S   O    _OE1    17     1.22724   123.18491   -13.07107
   18    16 S   N    _N2_    18     1.38567   111.66799   168.02702
   19    18 S   H    _HN2    19     1.01588   118.95214    -0.12354
   20    18 S   CT1  _CA2    20     1.46295   123.61930  -179.92598
   21    20 S   HC   _HA2    21     1.09734   109.36959   -15.92334
   22    20 S   C    _C2_    22     1.53468   108.08091  -131.45883
   23    22 S   O    _O2_    23     1.23002   122.34726  -146.04127
   24    20 S   CT   _CB2    32     1.53484   111.25681   106.48918
   25    24 S   HC   HB21    33     1.09312   109.15529    52.20360
   26    24 S   HC   HB22    34     1.09491   110.54382   170.65002
   27    22 S   N    _N3_    24     1.38545   113.31032    41.40913
   28    27 S   H    _HN3    25     1.01528   118.89645    -0.58215
   29    24 S   S    _SG2    35     1.82944   111.40857   -70.52882
   30    27 S   CT   _CA3    26     1.45448   123.45050   175.05827
   31    30 S   HC   HA31    27     1.09523   109.23224    24.38087
   32    30 S   HC   HA32    28     1.09495   107.11659   141.39549
   33    29 S   CT   _C19    36     1.85419   101.88738   151.30034
   34    33 S   HC   _H3_    37     1.09466   103.74775   177.39488
   35    30 S   CO3  _C3_    29     1.52930   113.14550   -99.08856
   36    35 S   O2Z  _O31    30     1.26400   115.42607   -43.42868
   37    35 S   O2Z  _O32    31     1.26358   114.96328   137.51544
   38    33 S   C5A  _C10    38     1.50789   109.44861    61.60137
   39    33 S   CT   _C20    73     1.55131   113.44905   -66.67978
   40    39 S   HC   _H4_    74     1.09685   110.30006    67.31687
   41    38 S   C5B  _C9_    39     1.38151   130.97166   -94.23403
   42    41 S   HA   _H14    40     1.08095   127.32715    -0.75407
   43    39 S   CO3  _C26    75     1.54846   108.57031  -174.50856
   44    43 S   O2Z  _O36    76     1.26265   116.15951    57.35971
   45    43 S   O2Z  _O35    77     1.26514   114.43277  -122.66165
   46    39 S   CT   _C21    78     1.54396   113.40200   -55.91072
   47    46 S   HC   _H21    79     1.09769   110.51895   -62.12760
   48    46 S   HC   _H22    80     1.09571   110.52965    54.58366
   49    41 S   N5B  _N4_    41     1.36495   111.88734   178.49637
   50    46 S   C5A  _C22    81     1.50565   112.89509   173.21962
   51    49 S   CRA  _C8_    42     1.31782   105.71740     0.51851
   52    50 S   C5B  _C23    82     1.38129   128.08873   -65.84068
   53    52 S   HA   _H23    83     1.08247   123.34716     0.92915
   54    38 S   NA   _N5_    43     1.38384   125.18546    86.03557
   55    51 S   CT   _C7_    60     1.49794   125.61006  -178.50498
   56    55 S   HC   _H12    61     1.09674   108.75855   112.08520
   57    55 S   HC   _H13    62     1.09589   109.58150  -130.57317
   58    52 S   C5B  _C24    84     1.42383   112.43150  -178.82730
   59    58 S   HA   _H24    85     1.08212   124.61663   179.72876
   60    54 S   CT   _C11    44     1.45970   126.45337    -1.79689
   61    60 S   HC   _H15    45     1.09547   106.65136   -44.56745
   62    60 S   HC   _H16    46     1.09443   109.16004  -159.13863
   63    55 S   CT   _C6_    63     1.53085   112.62912    -9.22567
   64    63 S   HC   _H10    64     1.09749   109.86365    59.25679
   65    63 S   HC   _H11    65     1.09755   109.78358   -57.97648
   66    58 S   C5A  _C25    86     1.37628   111.96984     0.09691
   67    66 S   HA   _H25    87     1.08069   127.64047   179.74436
   68    60 S   CA   _C12    47     1.50758   113.60313    78.52480
   69    63 S   CT   _C5_    66     1.52888   111.27598  -179.37945
   70    69 S   HC   _H8_    67     1.09621   109.85829   -58.82657
   71    69 S   HC   _H9_    68     1.09623   109.86734    58.91431
   72    50 S   SA   _S1_    88     1.71381   120.47752   115.58125
   73    68 S   CA   _C13    48     1.40122   119.35599  -135.65786
   74    73 S   HA   _H17    49     1.08761   120.35359     2.32843
   75    69 S   CT   _C4_    69     1.52036   111.49362  -179.97202
   76    75 S   HC   _H5_    70     1.09469   110.99896   -60.25098
   77    75 S   HC   _H6_    71     1.09449   110.26114  -179.97202
   78    75 S   HC   _H7_    72     1.09468   111.00204    60.26717
   79    73 S   CA   _C14    50     1.39858   120.95755  -177.74536
   80    79 S   HA   _H18    51     1.08755   118.46625  -179.69481
   81    79 S   CA   _C15    52     1.40157   120.90229     0.58148
   82    81 S   CA   _C16    53     1.40209   118.05852    -0.17914
   83    82 S   HA   _H19    54     1.08767   120.57438   180.00000
   84    81 S   CO3  _C18    57     1.50903   120.94755   179.46881
   85    84 S   O2Z  _O34    58     1.27116   117.32949  -178.26799
   86    84 S   O2Z  _O33    59     1.27127   117.29749     1.41776
   87    68 S   CA   _C17    55     1.39976   122.32868    47.67413
   88    87 S   HA   _H20    56     1.08637   120.88567    -2.42245
  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
  17   7   2   1   1  14  12   7   6   3   6   2   1   8   4   3
   7   7  12   6   4  10  10   5   4   4   3   9   4   3   9   5
   4   2   1   9   6   5   4   1   8   4   3   2   1   1   8   3
   7   6   3   3   1   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    54    39    40    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    49    51    54    60    39    40    43    44    45    46    47    48    50  
   38    41    54    39    40    43    46  
   36    37  
   37  
    0  
   41    42    49    51    54    60    61    62    68    55    39    40    43    46  
   40    43    44    45    46    47    48    50    52    72    41    54  
   43    44    45    46    47    48    50  
   42    49    51    54    60    55  
   49    51    54  
   44    45    46    47    48    50  
   45    46  
   46  
   47    48    50    52    53    58    66    72  
   48    50    52    72  
   50    52    72  
   51    54    60    55    56    57    63  
   52    53    58    59    66    67    72  
   54    60    61    62    68    55    56    57    63    64    65    69  
   53    58    59    66    67    72  
   58    59    66    72  
   60    61    62    68    73    87    55    56    57    63  
   56    57    63    64    65    69    70    71    75    60  
   57    63    64    65    69  
   63    64    65    69  
   59    66    67    72  
   66    67    72  
   61    62    68    73    74    79    82    87    88  
   62    68    73    87  
   68    73    87  
   64    65    69    70    71    75    76    77    78  
   65    69    70    71    75  
   69    70    71    75  
   67    72  
   72  
   73    74    79    80    81    82    83    87    88  
   70    71    75    76    77    78  
   71    75    76    77    78  
   75    76    77    78  
    0  
   74    79    80    81    82    87    88    84  
   79    80    81    87  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83    87    84    85    86  
   81    82    84  
   82    83    87    88    84    85    86  
   83    87    88    84    85    86  
   87    88    84  
   85    86    87  
   86  
    0  
   88  
    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   0.241500   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   0.0700  -0.233000   2.0020   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0700   0.185000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.075000   1.3810   1.2100   0.030040813   0.268726247
   43   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.2500   0.1700  -0.563000   1.8000   1.6000   0.001000000  -0.511443539
   50   3.5500   0.0700  -0.178700   2.0020   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700   0.238000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.073800   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.121100   1.3810   1.2100   0.030040813   0.268726247
   54   3.2500   0.1700  -0.073500   1.8000   1.6000   0.001000000  -0.511443539
   55   3.5000   0.0660  -0.005000   2.4950   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0700  -0.073800   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.121100   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660   0.117500   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5500   0.0700  -0.325500   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.261800   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5600   0.3950   0.032800   2.0080   1.7800   0.025682759  -1.666211680
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.7500   0.1050   0.715000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   87   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   295.000  1.489
   33    39   268.000  1.529
   38    41   520.000  1.370
   38    54   427.000  1.381
   41    42   367.000  1.080
   41    49   410.000  1.394
   49    51   488.000  1.335
   51    54   477.000  1.343
   51    55   295.000  1.488
   54    60   320.000  1.443
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    68   317.000  1.510
   68    73   469.000  1.400
   68    87   469.000  1.400
   73    74   367.000  1.080
   73    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   469.000  1.400
   81    84   400.000  1.490
   82    83   367.000  1.080
   82    87   469.000  1.400
   87    88   367.000  1.080
   84    85   656.000  1.250
   84    86   656.000  1.250
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   39    40   340.000  1.090
   39    43   317.000  1.522
   39    46   268.000  1.529
   43    44   656.000  1.250
   43    45   656.000  1.250
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    50   295.000  1.489
   50    52   520.000  1.370
   50    72   265.000  1.745
   52    53   367.000  1.080
   52    58   400.000  1.425
   58    59   367.000  1.080
   58    66   520.000  1.370
   66    67   367.000  1.080
   66    72   265.000  1.745
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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    55.00000  130.44200
   33    38    54    65.00000  122.56900
   33    39    40    37.50000  110.70000
   33    39    43    70.00000  109.69300
   33    39    46    58.35000  112.70000
   38    33    34    45.00000  110.47400
   38    41    42    35.00000  128.20000
   38    41    49    70.00000  111.00000
   38    54    51    70.00000  109.80000
   38    54    60    65.00000  127.50000
   41    49    51    70.00000  110.00000
   49    41    42    35.00000  120.00000
   49    51    54    70.00000  120.00000
   49    51    55    65.00000  125.57700
   51    54    60    60.00000  127.66100
   51    55    56    45.00000  109.19200
   51    55    57    45.00000  109.19200
   51    55    63    70.00000  112.56400
   54    38    41    70.00000  106.30000
   54    60    61    50.00000  108.61900
   54    60    62    50.00000  108.61900
   54    60    68    75.00000  110.34000
   60    68    73    70.00000  120.00000
   60    68    87    70.00000  120.00000
   62    60    61    33.00000  107.80000
   68    60    61    35.00000  109.50000
   68    60    62    35.00000  109.50000
   68    73    74    35.00000  120.00000
   68    73    79    63.00000  120.00000
   68    87    82    63.00000  120.00000
   68    87    88    35.00000  120.00000
   73    79    80    35.00000  120.00000
   73    79    81    63.00000  120.00000
   79    73    74    35.00000  120.00000
   79    81    82    63.00000  120.00000
   79    81    84    85.00000  120.00000
   81    79    80    35.00000  120.00000
   81    82    83    35.00000  120.00000
   81    82    87    63.00000  120.00000
   81    84    85    80.00000  120.40000
   81    84    86    80.00000  120.40000
   82    87    88    35.00000  120.00000
   87    68    73    63.00000  120.00000
   87    82    83    35.00000  120.00000
   84    81    82    85.00000  120.00000
   86    84    85    80.00000  126.00000
   55    51    54    65.00000  122.43800
   55    63    64    37.50000  110.70000
   55    63    65    37.50000  110.70000
   55    63    69    58.35000  112.70000
   57    55    56    33.00000  107.80000
   63    55    56    37.50000  110.70000
   63    55    57    37.50000  110.70000
   63    69    70    37.50000  110.70000
   63    69    71    37.50000  110.70000
   63    69    75    58.35000  112.70000
   65    63    64    33.00000  107.80000
   69    63    64    37.50000  110.70000
   69    63    65    37.50000  110.70000
   69    75    76    37.50000  110.70000
   69    75    77    37.50000  110.70000
   69    75    78    37.50000  110.70000
   71    69    70    33.00000  107.80000
   75    69    70    37.50000  110.70000
   75    69    71    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  113.44400
   39    43    44    70.00000  117.00000
   39    43    45    70.00000  117.00000
   39    46    47    37.50000  110.70000
   39    46    48    37.50000  110.70000
   39    46    50    70.00000  113.44400
   43    39    40    35.00000  109.50000
   45    43    44    80.00000  126.00000
   46    39    40    37.50000  110.70000
   46    39    43    70.00000  109.69300
   46    50    52    55.00000  130.44200
   46    50    72    65.00000  123.52500
   48    46    47    33.00000  107.80000
   50    46    47    45.00000  110.47400
   50    46    48    45.00000  110.47400
   50    52    53    35.00000  128.20000
   50    52    58    75.00000  112.39000
   50    72    66   110.00000   90.41100
   52    58    59    35.00000  125.69000
   52    58    66    75.00000  112.39000
   58    52    53    35.00000  125.69000
   58    66    67    35.00000  130.70000
   58    66    72    80.00000  111.29200
   66    58    59    35.00000  128.20000
   72    50    52    80.00000  111.29200
   72    66    67    40.00000  122.38200
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    54   0.04300 -1.0 2.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   29    33    39    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    49   3.62500 -1.0 2.0
   33    38    54    51   3.62500 -1.0 2.0
   33    38    54    60   3.62500 -1.0 2.0
   33    39    43    44   0.41150 -1.0 2.0
   33    39    43    45   0.41150 -1.0 2.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    48   0.15000  1.0 3.0
   33    39    46    50  -0.03700  1.0 1.0
   33    39    46    50   0.37200 -1.0 2.0
   33    39    46    50  -0.47300  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    54   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43  -0.11250  1.0 3.0
   34    33    39    46   0.15000  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    43  -2.95950  1.0 1.0
   38    33    39    43   0.02300  1.0 3.0
   38    33    39    46  -0.03700  1.0 1.0
   38    33    39    46   0.37200 -1.0 2.0
   38    33    39    46  -0.47300  1.0 3.0
   38    41   -49    51   2.40000 -1.0 2.0
   38    54    60    61   0.00000  1.0 1.0
   38    54    60    62   0.00000  1.0 1.0
   38    54    60    68   0.68100  1.0 1.0
   38    54    60    68   0.03350 -1.0 2.0
   38    54    60    68   0.36200  1.0 3.0
   41    38   -54    51   1.40000 -1.0 2.0
   41    38    54    60   3.62500 -1.0 2.0
   41    49   -51    54   5.00000 -1.0 2.0
   41    49    51    55   3.62500 -1.0 2.0
   42    41    49    51   2.40000 -1.0 2.0
   49    51   -54    38   2.32500 -1.0 2.0
   49    51    54    60   3.62500 -1.0 2.0
   49    51    55    56   0.00000  1.0 1.0
   49    51    55    57   0.00000  1.0 1.0
   49    51    55    63   0.29300  1.0 1.0
   49    51    55    63  -1.19700 -1.0 2.0
   49    51    55    63   0.60900  1.0 3.0
   51    54    60    61   0.00000  1.0 1.0
   51    54    60    62   0.00000  1.0 1.0
   51    54    60    68   0.68100  1.0 1.0
   51    54    60    68   0.03350 -1.0 2.0
   51    54    60    68   0.36200  1.0 3.0
   51    55    63    64   0.43200  1.0 3.0
   51    55    63    65   0.43200  1.0 3.0
   51    55    63    69  -0.03700  1.0 1.0
   51    55    63    69   0.37200 -1.0 2.0
   51    55    63    69  -0.47300  1.0 3.0
   54    38    41    42   5.37500 -1.0 2.0
   54    38   -41    49   5.37500 -1.0 2.0
   54    51    55    56   0.00000  1.0 1.0
   54    51    55    57   0.00000  1.0 1.0
   54    51    55    63   0.39850  1.0 1.0
   54    51    55    63   0.06450 -1.0 2.0
   54    51    55    63   0.32400  1.0 3.0
   54    60    68    73   0.04300 -1.0 2.0
   54    60    68    87   0.04300 -1.0 2.0
   60    68    73    74   3.62500 -1.0 2.0
   60    68    73    79   3.62500 -1.0 2.0
   60    68    87    82   3.62500 -1.0 2.0
   60    68    87    88   3.62500 -1.0 2.0
   61    60    68    73   0.00000  1.0 1.0
   61    60    68    87   0.00000  1.0 1.0
   62    60    68    73   0.00000  1.0 1.0
   62    60    68    87   0.00000  1.0 1.0
   68    73    79    80   3.62500 -1.0 2.0
   68    73    79    81   3.62500 -1.0 2.0
   73    68    87    82   3.62500 -1.0 2.0
   73    68    87    88   3.62500 -1.0 2.0
   73    79   -81    82   3.62500 -1.0 2.0
   73    79    81    84   3.62500 -1.0 2.0
   74    73    79    80   3.62500 -1.0 2.0
   74    73    79    81   3.62500 -1.0 2.0
   79    81    82    83   3.62500 -1.0 2.0
   79    81    82    87   3.62500 -1.0 2.0
   79    81    84    85   1.05000 -1.0 2.0
   79    81    84    86   1.05000 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   80    79    81    84   3.62500 -1.0 2.0
   81    82   -87    68   3.62500 -1.0 2.0
   81    82    87    88   3.62500 -1.0 2.0
   82    81    84    85   1.05000 -1.0 2.0
   82    81    84    86   1.05000 -1.0 2.0
   83    82    87    68   3.62500 -1.0 2.0
   83    82    87    88   3.62500 -1.0 2.0
   87    68    73    74   3.62500 -1.0 2.0
   87    68   -73    79   3.62500 -1.0 2.0
   84    81    82    83   3.62500 -1.0 2.0
   84    81    82    87   3.62500 -1.0 2.0
   55    51    54    38   3.62500 -1.0 2.0
   55    51    54    60   3.62500 -1.0 2.0
   55    63    69    70   0.15000  1.0 3.0
   55    63    69    71   0.15000  1.0 3.0
   55    63    69    75   0.56750  1.0 1.0
   55    63    69    75  -0.07550 -1.0 2.0
   55    63    69    75   0.20000  1.0 3.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    65   0.15000  1.0 3.0
   56    55    63    69   0.15000  1.0 3.0
   57    55    63    64   0.15000  1.0 3.0
   57    55    63    65   0.15000  1.0 3.0
   57    55    63    69   0.15000  1.0 3.0
   63    69    75    76   0.15000  1.0 3.0
   63    69    75    77   0.15000  1.0 3.0
   63    69    75    78   0.15000  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    71   0.15000  1.0 3.0
   64    63    69    75   0.15000  1.0 3.0
   65    63    69    70   0.15000  1.0 3.0
   65    63    69    71   0.15000  1.0 3.0
   65    63    69    75   0.15000  1.0 3.0
   70    69    75    76   0.15000  1.0 3.0
   70    69    75    77   0.15000  1.0 3.0
   70    69    75    78   0.15000  1.0 3.0
   71    69    75    76   0.15000  1.0 3.0
   71    69    75    77   0.15000  1.0 3.0
   71    69    75    78   0.15000  1.0 3.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    54   0.39850  1.0 1.0
   39    33    38    54   0.06450 -1.0 2.0
   39    33    38    54   0.32400  1.0 3.0
   39    46    50    52   0.04150 -1.0 2.0
   39    46    50    72  -1.00500  1.0 1.0
   39    46    50    72  -0.91300 -1.0 2.0
   39    46    50    72   0.11400  1.0 3.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    43    45   0.00000  1.0 1.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    48   0.15000  1.0 3.0
   40    39    46    50   0.43200  1.0 3.0
   43    39    46    47  -0.11250  1.0 3.0
   43    39    46    48  -0.11250  1.0 3.0
   43    39    46    50  -2.95950  1.0 1.0
   43    39    46    50   0.02300  1.0 3.0
   46    39    43    44   0.41150 -1.0 2.0
   46    39    43    45   0.41150 -1.0 2.0
   46    50    52    53   3.62500 -1.0 2.0
   46    50    52    58   3.62500 -1.0 2.0
   46    50    72    66   3.62500 -1.0 2.0
   47    46    50    52   0.00000  1.0 1.0
   47    46    50    72   0.00000  1.0 1.0
   48    46    50    52   0.00000  1.0 1.0
   48    46    50    72   0.00000  1.0 1.0
   50    52    58    59   3.62500 -1.0 2.0
   50    52   -58    66   3.62500 -1.0 2.0
   52    50   -72    66   3.62500 -1.0 2.0
   52    58    66    67   3.62500 -1.0 2.0
   52    58   -66    72   3.62500 -1.0 2.0
   53    52    58    59   3.62500 -1.0 2.0
   53    52    58    66   3.62500 -1.0 2.0
   58    66   -72    50   3.62500 -1.0 2.0
   59    58    66    67   3.62500 -1.0 2.0
   59    58    66    72   3.62500 -1.0 2.0
   67    66    72    50   3.62500 -1.0 2.0
   72    50    52    53   3.62500 -1.0 2.0
   72    50   -52    58   3.62500 -1.0 2.0
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
   41    54    38    33   4.00000 -1.0 2.0
   49    42    41    38   1.10000 -1.0 2.0
   55    54    51    49   4.00000 -1.0 2.0
   51    60    54    38   4.00000 -1.0 2.0
   73    87    68    60   4.00000 -1.0 2.0
   79    74    73    68   1.10000 -1.0 2.0
   81    80    79    73   1.10000 -1.0 2.0
   82    84    81    79   4.00000 -1.0 2.0
   87    83    82    81   1.10000 -1.0 2.0
   82    88    87    68   1.10000 -1.0 2.0
   85    81    84    86  10.50000 -1.0 2.0
   44    39    43    45  10.50000 -1.0 2.0
   52    72    50    46   4.00000 -1.0 2.0
   58    53    52    50   1.10000 -1.0 2.0
   66    59    58    52   1.10000 -1.0 2.0
   72    67    66    58   1.10000 -1.0 2.0
END
