* LIGAND DATABASE FILE (OPLS2005)
*
001      77    81    159    269     474
    1     0 S   NP   _N1_     1    29.03939    94.63430   -19.40060
    2     1 S   H    _HN1     2     1.02780    76.76511   -83.91409
    3     1 S   H    _H1_     3     1.02960    95.95190    23.54473
    4     1 S   H    _H2_     4     1.02838    38.84258   133.44904
    5     1 S   CT   _CA1     5     1.50106   146.33753   165.70608
    6     5 S   HC   _HA1     6     1.09562   105.30261    38.31033
    7     5 S   CO3  _C1_     7     1.53872   112.29914   -82.12878
    8     7 S   O2Z  _O11     8     1.26374   115.01829   -44.53747
    9     7 S   O2Z  _O12     9     1.26216   114.95331   134.72444
   10     5 S   CT   _CB1    10     1.53097   107.45374   156.42778
   11    10 S   HC   HB11    11     1.09819   109.66666   -48.80416
   12    10 S   HC   HB12    12     1.09829   110.25426    67.82637
   13    10 S   CT   _CG1    13     1.53006   112.59491  -169.84818
   14    13 S   HC   HG11    14     1.09577   110.36442   -57.79260
   15    13 S   HC   HG12    15     1.09618   110.15667    61.39676
   16    13 S   C    _CD1    16     1.51796   112.13394  -178.11332
   17    16 S   O    _OE1    17     1.22720   123.23187    -9.23352
   18    16 S   N    _N2_    18     1.38575   111.62705   170.66778
   19    18 S   H    _HN2    19     1.01607   119.00442     2.81876
   20    18 S   CT1  _CA2    20     1.46273   123.45335  -174.74432
   21    20 S   HC   _HA2    21     1.09718   109.43161   -15.32469
   22    20 S   C    _C2_    22     1.53351   108.36117  -131.31631
   23    22 S   O    _O2_    23     1.23007   122.26876  -145.84399
   24    20 S   CT   _CB2    32     1.53544   110.96357   106.71204
   25    24 S   HC   HB21    33     1.09392   109.16295    54.81540
   26    24 S   HC   HB22    34     1.09489   110.83935   173.57935
   27    22 S   N    _N3_    24     1.38517   113.31856    41.53383
   28    27 S   H    _HN3    25     1.01533   118.88981    -0.63118
   29    24 S   S    _SG2    35     1.82760   111.68768   -66.57623
   30    27 S   CT   _CA3    26     1.45444   123.44627   175.14026
   31    30 S   HC   HA31    27     1.09523   109.23443    24.42448
   32    30 S   HC   HA32    28     1.09495   107.12447   141.42495
   33    29 S   CT   _C18    36     1.83079   100.24065   161.14924
   34    33 S   HC   _H8_    37     1.09396   104.31847    49.67080
   35    30 S   CO3  _C3_    29     1.52921   113.11016   -99.05204
   36    35 S   O2Z  _O31    30     1.26403   115.40379   -44.65050
   37    35 S   O2Z  _O32    31     1.26355   114.98590   136.28454
   38    33 S   CT   _C17    38     1.54309   109.51356   162.48105
   39    38 S   HC   _H7_    39     1.09418   110.44870    60.82250
   40    33 S   C4T  _C8_    65     1.55827   115.13365   -72.43897
   41    38 S   CT   _C16    40     1.54207   112.69706  -176.90446
   42    41 S   HC   _H22    41     1.09804   109.32668    97.86001
   43    41 S   HC   _H23    42     1.09784   107.47912  -148.68143
   44    40 S   C4T  _C5_    66     1.59226   114.41739   106.71710
   45    44 S   HC   _H3_    67     1.09796   112.91803  -113.96128
   46    49 S   C4T  _C7_    71     1.47965   113.13799   -36.22309
   47    38 S   OH   _O33    76     1.43220   109.89057   -57.18930
   48    47 S   HO   _H24    77     0.97254   107.53886   175.74891
   49    41 S   NTH0 _N4_    43     1.46334   115.17446   -23.21309
   50    44 S   C4T  _C6_    68     1.54718    88.93025   131.76428
   51    50 S   HC   _H12    69     1.09448   114.01545   101.59500
   52    50 S   HC   _H13    70     1.09558   114.36343  -137.92339
   53    44 S   CT   _C4_    72     1.52735   123.14007    14.69287
   54    53 S   HC   _H9_    73     1.09366   112.50167    50.95124
   55    53 S   HC   _H10    74     1.09406   110.83667   -70.48262
   56    53 S   HC   _H11    75     1.09548   110.18128   170.94757
   57    49 S   CT   _C15    44     1.47965   112.45093  -162.01029
   58    57 S   HC   _H20    45     1.09762   109.82071   -44.01228
   59    57 S   HC   _H21    46     1.09604   108.90016  -157.85266
   60    57 S   CT   _C14    47     1.54123   115.82716    80.35621
   61    60 S   HC   _H18    48     1.09723   109.15326   -76.17250
   62    60 S   HC   _H19    49     1.09604   109.50135   167.52247
   63    60 S   CT   _C13    50     1.53713   112.98419    45.23939
   64    63 S   HC   _H16    51     1.09570   110.14323    69.83692
   65    63 S   HC   _H17    52     1.09559   109.51088  -172.18628
   66    63 S   CT   _C12    53     1.52365   107.56576   -51.77656
   67    66 S   HC   _H6_    54     1.09947   106.04026   -55.04517
   68    66 S   CT   _C11    55     1.53411   116.97411  -169.71000
   69    68 S   HC   _H5_    56     1.09487   111.15601    53.71485
   70    68 S   CT   _C10    57     1.51943   109.10890   176.62397
   71    70 S   HC   _H14    58     1.08972   114.16948   -47.94598
   72    70 S   HC   _H15    59     1.09791   109.97329  -169.15737
   73    70 S   CT   _C9_    60     1.51627    99.23340    75.58544
   74    73 S   HC   _H4_    61     1.09061   111.71885   157.36106
   75    73 S   CO4  _C19    62     1.51950    96.98861    45.39774
   76    75 S   O    _O35    63     1.22059   126.23212   149.09047
   77    68 S   OS   _O34    64     1.42774   112.79934   -69.42435
  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  10   5   4   3
  20   8   2   1   1  12   7  26  12   5   4  15   9  21   2   1
  14  12   3   2   4   2   1   1   9   5   4   8   5   4   8   4
   3   9   4   9   6   7   5   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    73    40    44    46    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    43    49    66    70    73    74    75    40    44    45    50    46    53    47    48  
   38    39    41    73    40    44    46    47  
   36    37  
   37  
    0  
   39    41    42    43    49    57    73    40    44    46    47    48  
   41    42    43    49    40    47    48  
   44    45    50    51    52    46    53    54    55    56    47    41    49    57    63    66    67    68    70    71    72    73    74    75    76    77  
   42    43    49    57    58    59    60    66    50    46    47    48  
   43    49    57    46    47  
   49    57    46    47  
   45    50    51    52    46    53    54    55    56    49    66    70    73    74    75  
   50    51    52    46    53    54    55    56    73  
   53    49    50    51    52    57    58    59    60    63    64    65    66    67    68    69    70    73    74    75    77  
   48    49  
    0  
   57    58    59    60    61    62    63    66    67    68    73    50    51    52  
   51    52    53    54    55    56    57    63    66    67    68    73  
   52    53    66  
   53    66  
   54    55    56    73  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64    65    66  
   59    60    61    62    63  
   60    61    62    63  
   61    62    63    64    65    66    67    68  
   62    63    64    65    66  
   63    64    65    66  
   64    65    66    67    68    69    70    77  
   65    66    67    68  
   66    67    68  
   67    68    69    70    71    72    73    75    77  
   68    69    70    77  
   69    70    71    72    73    74    75    76    77  
   70    71    72    73    75    77  
   71    72    73    74    75    76    77  
   72    73    74    75    77  
   73    74    75    77  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    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   0.166300   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.117600   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.118800   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.063700   1.9750   1.7500   0.005000000  -0.741685710
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.3000   0.1700  -0.542500   1.9050   1.6860   0.051222218  -2.220205820
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   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   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   260.000  1.519
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    47   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    49   310.000  1.447
   49    57   310.000  1.447
   49    46   310.000  1.447
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    46   260.000  1.519
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    77   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   317.000  1.522
   73    40   260.000  1.519
   75    76   570.000  1.229
   75    77   214.000  1.327
   40    44   268.000  1.529
   40    46   268.000  1.529
   44    45   340.000  1.090
   44    50   268.000  1.529
   44    53   260.000  1.519
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    46   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   47    48   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    47    50.00000  109.50000
   33    40    73    58.35000  112.70000
   33    40    44    65.00000  119.52000
   33    40    46    65.00000  119.52000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    49    75.00000  113.73300
   38    47    48    55.00000  108.50000
   41    38    39    37.50000  110.70000
   41    49    57    80.00000  110.40700
   41    49    46    80.00000  110.40700
   43    41    42    33.00000  107.80000
   49    41    42    50.00000  110.15500
   49    41    43    50.00000  110.15500
   49    57    58    50.00000  110.15500
   49    57    59    50.00000  110.15500
   49    57    60    75.00000  113.73300
   49    46    66    75.00000  113.73300
   49    46    40    65.00000  120.10000
   49    46    50    65.00000  120.10000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    68    58.35000  112.70000
   63    66    46    70.00000  112.98000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    68    69    37.50000  110.70000
   66    68    70    58.35000  112.70000
   66    68    77    50.00000  109.50000
   66    46    40    65.00000  119.52000
   66    46    50    65.00000  119.52000
   68    66    67    37.50000  110.70000
   68    70    71    37.50000  110.70000
   68    70    72    37.50000  110.70000
   68    70    73    58.35000  112.70000
   68    77    75    83.00000  116.90000
   70    68    69    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    63.00000  111.10000
   70    73    40    70.00000  112.98000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    75    76    80.00000  120.40000
   73    75    77    81.00000  111.40000
   73    40    44    65.00000  119.52000
   73    40    46    65.00000  119.52000
   75    73    74    35.00000  109.50000
   77    68    69    35.00000  109.50000
   77    68    70    50.00000  109.50000
   77    75    76    83.00000  123.40000
   40    33    34    45.00000  111.22300
   40    33    38    70.00000  112.98000
   40    73    74    45.00000  111.22300
   40    73    75    63.00000  111.10000
   40    44    45    37.50000  110.70000
   40    44    50    63.00000   92.00000
   40    44    53    65.00000  119.52000
   40    46    50    63.00000   92.00000
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    46    63.00000   92.00000
   44    53    54    45.00000  111.22300
   44    53    55    45.00000  111.22300
   44    53    56    45.00000  111.22300
   50    44    45    37.50000  110.70000
   52    50    51    33.00000  107.80000
   46    49    57    80.00000  110.40700
   46    66    67    45.00000  111.22300
   46    66    68    70.00000  112.98000
   46    40    44    63.00000   92.00000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   53    44    45    45.00000  112.72800
   53    44    50    65.00000  119.52000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   47    38    39    35.00000  109.50000
   47    38    41    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  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   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    47   0.56750  1.0 1.0
   29    33    38    47  -0.07550 -1.0 2.0
   29    33    38    47   0.20000  1.0 3.0
   29    33    40    73   0.44750  1.0 1.0
   29    33    40    73  -0.17800 -1.0 2.0
   29    33    40    73   0.20200  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   29    33    40    46   0.44750  1.0 1.0
   29    33    40    46  -0.17800 -1.0 2.0
   29    33    40    46   0.20200  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    49   1.53400  1.0 1.0
   33    38    41    49  -0.09950 -1.0 2.0
   33    38    41    49   0.05700  1.0 3.0
   33    38    47    48  -0.11600  1.0 1.0
   33    38    47    48  -0.09450 -1.0 2.0
   33    38    47    48   0.21250  1.0 3.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    50  -0.70950  1.0 1.0
   33    40    44    50   0.38400 -1.0 2.0
   33    40    44    53   0.56750  1.0 1.0
   33    40    44    53  -0.07550 -1.0 2.0
   33    40    44    53   0.20000  1.0 3.0
   33    40   -46    49   1.53400  1.0 1.0
   33    40   -46    49  -0.09950 -1.0 2.0
   33    40   -46    49   0.05700  1.0 3.0
   33    40    46    66   0.56750  1.0 1.0
   33    40    46    66  -0.07550 -1.0 2.0
   33    40    46    66   0.20000  1.0 3.0
   33    40   -46    50  -0.70950  1.0 1.0
   33    40   -46    50   0.38400 -1.0 2.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    47   0.23400  1.0 3.0
   34    33    40    73   0.15000  1.0 3.0
   34    33    40    44   0.00000  1.0 1.0
   34    33    40    46   0.00000  1.0 1.0
   38    33    40    73   0.56750  1.0 1.0
   38    33    40    73  -0.07550 -1.0 2.0
   38    33    40    73   0.20000  1.0 3.0
   38    33    40    44   0.04050  1.0 1.0
   38    33    40    44   0.63700 -1.0 2.0
   38    33    40    44   0.17650  1.0 3.0
   38    33    40    46   0.04050  1.0 1.0
   38    33    40    46   0.63700 -1.0 2.0
   38    33    40    46   0.17650  1.0 3.0
   38    41    49    57   1.99000  1.0 1.0
   38    41    49    57   0.18800 -1.0 2.0
   38    41    49    57   0.81350  1.0 3.0
   38    41   -49    46   1.99000  1.0 1.0
   38    41   -49    46   0.18800 -1.0 2.0
   38    41   -49    46   0.81350  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    49   0.15000  1.0 3.0
   39    38    47    48   0.19450  1.0 3.0
   41    38    47    48  -0.11600  1.0 1.0
   41    38    47    48  -0.09450 -1.0 2.0
   41    38    47    48   0.21250  1.0 3.0
   41    49    57    58   0.28000  1.0 3.0
   41    49    57    59   0.28000  1.0 3.0
   41    49    57    60   1.99000  1.0 1.0
   41    49    57    60   0.18800 -1.0 2.0
   41    49    57    60   0.81350  1.0 3.0
   41    49    46    66   1.99000  1.0 1.0
   41    49    46    66   0.18800 -1.0 2.0
   41    49    46    66   0.81350  1.0 3.0
   41    49    46    40   1.99000  1.0 1.0
   41    49    46    40   0.18800 -1.0 2.0
   41    49    46    40   0.81350  1.0 3.0
   41    49    46    50   1.99000  1.0 1.0
   41    49    46    50   0.18800 -1.0 2.0
   41    49    46    50   0.81350  1.0 3.0
   42    41    49    57   0.28000  1.0 3.0
   42    41    49    46   0.28000  1.0 3.0
   43    41    49    57   0.28000  1.0 3.0
   43    41    49    46   0.28000  1.0 3.0
   49    57    60    61   0.15000  1.0 3.0
   49    57    60    62   0.15000  1.0 3.0
   49    57    60    63   1.53400  1.0 1.0
   49    57    60    63  -0.09950 -1.0 2.0
   49    57    60    63   0.05700  1.0 3.0
   57    49    46    66   1.99000  1.0 1.0
   57    49    46    66   0.18800 -1.0 2.0
   57    49    46    66   0.81350  1.0 3.0
   57    49    46    40   1.99000  1.0 1.0
   57    49    46    40   0.18800 -1.0 2.0
   57    49    46    40   0.81350  1.0 3.0
   57    49    46    50   1.99000  1.0 1.0
   57    49    46    50   0.18800 -1.0 2.0
   57    49    46    50   0.81350  1.0 3.0
   57    60    63    64   0.15000  1.0 3.0
   57    60    63    65   0.15000  1.0 3.0
   57    60   -63    66   0.56750  1.0 1.0
   57    60   -63    66  -0.07550 -1.0 2.0
   57    60   -63    66   0.20000  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    63   0.15000  1.0 3.0
   60    63    66    67   0.15000  1.0 3.0
   60    63    66    68   0.56750  1.0 1.0
   60    63    66    68  -0.07550 -1.0 2.0
   60    63    66    68   0.20000  1.0 3.0
   60    63    66    46   0.31550 -1.0 2.0
   60    63    66    46   0.11250  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    66   0.15000  1.0 3.0
   63    66    68    69   0.15000  1.0 3.0
   63    66    68    70   0.56750  1.0 1.0
   63    66    68    70  -0.07550 -1.0 2.0
   63    66    68    70   0.20000  1.0 3.0
   63    66    68    77   0.62750  1.0 1.0
   63    66    68    77  -0.30950 -1.0 2.0
   63    66    68    77   0.27300  1.0 3.0
   63    66   -46    49   1.53400  1.0 1.0
   63    66   -46    49  -0.09950 -1.0 2.0
   63    66   -46    49   0.05700  1.0 3.0
   63    66    46    40   0.04050  1.0 1.0
   63    66    46    40   0.63700 -1.0 2.0
   63    66    46    40   0.17650  1.0 3.0
   63    66    46    50   0.04050  1.0 1.0
   63    66    46    50   0.63700 -1.0 2.0
   63    66    46    50   0.17650  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    46   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    46   0.15000  1.0 3.0
   66    68    70    71   0.15000  1.0 3.0
   66    68    70    72   0.15000  1.0 3.0
   66    68    70    73   0.56750  1.0 1.0
   66    68    70    73  -0.07550 -1.0 2.0
   66    68    70    73   0.20000  1.0 3.0
   66    68    77    75  -0.25900  1.0 1.0
   66    68    77    75  -0.47000 -1.0 2.0
   66    68    77    75   0.11750  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    77   0.23400  1.0 3.0
   67    66    46    49   0.15000  1.0 3.0
   67    66    46    40   0.00000  1.0 1.0
   67    66    46    50   0.00000  1.0 1.0
   68    66    46    49   1.53400  1.0 1.0
   68    66    46    49  -0.09950 -1.0 2.0
   68    66    46    49   0.05700  1.0 3.0
   68    66    46    40   0.04050  1.0 1.0
   68    66    46    40   0.63700 -1.0 2.0
   68    66    46    40   0.17650  1.0 3.0
   68    66    46    50   0.04050  1.0 1.0
   68    66    46    50   0.63700 -1.0 2.0
   68    66    46    50   0.17650  1.0 3.0
   68    70    73    74   0.15000  1.0 3.0
   68    70   -73    75  -0.95700  1.0 1.0
   68    70   -73    75  -0.18200 -1.0 2.0
   68    70   -73    75   0.29450  1.0 3.0
   68    70   -73    40   0.31550 -1.0 2.0
   68    70   -73    40   0.11250  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    72   0.15000  1.0 3.0
   69    68    70    73   0.15000  1.0 3.0
   69    68    77    75   0.08050  1.0 3.0
   70    68   -77    75  -0.25900  1.0 1.0
   70    68   -77    75  -0.47000 -1.0 2.0
   70    68   -77    75   0.11750  1.0 3.0
   70    73    75    76   0.30150 -1.0 2.0
   70    73   -75    77   0.36750  1.0 3.0
   70    73    40    33   0.56750  1.0 1.0
   70    73    40    33  -0.07550 -1.0 2.0
   70    73    40    33   0.20000  1.0 3.0
   70    73    40    44   0.04050  1.0 1.0
   70    73    40    44   0.63700 -1.0 2.0
   70    73    40    44   0.17650  1.0 3.0
   70    73    40    46   0.04050  1.0 1.0
   70    73    40    46   0.63700 -1.0 2.0
   70    73    40    46   0.17650  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75  -0.11250  1.0 3.0
   71    70    73    40   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75  -0.11250  1.0 3.0
   72    70    73    40   0.15000  1.0 3.0
   73    75   -77    68   1.63150  1.0 1.0
   73    75   -77    68   2.92000 -1.0 2.0
   73    40    44    45   0.15000  1.0 3.0
   73    40    44    50  -0.70950  1.0 1.0
   73    40    44    50   0.38400 -1.0 2.0
   73    40    44    53   0.56750  1.0 1.0
   73    40    44    53  -0.07550 -1.0 2.0
   73    40    44    53   0.20000  1.0 3.0
   73    40    46    49   1.53400  1.0 1.0
   73    40    46    49  -0.09950 -1.0 2.0
   73    40    46    49   0.05700  1.0 3.0
   73    40   -46    66   0.56750  1.0 1.0
   73    40   -46    66  -0.07550 -1.0 2.0
   73    40   -46    66   0.20000  1.0 3.0
   73    40   -46    50  -0.70950  1.0 1.0
   73    40   -46    50   0.38400 -1.0 2.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    77   0.00000  1.0 1.0
   74    73    40    33   0.15000  1.0 3.0
   74    73    40    44   0.00000  1.0 1.0
   74    73    40    46   0.00000  1.0 1.0
   75    73    40    33  -0.95700  1.0 1.0
   75    73    40    33  -0.18200 -1.0 2.0
   75    73    40    33   0.29450  1.0 3.0
   75    73    40    44  -0.95700  1.0 1.0
   75    73    40    44  -0.18200 -1.0 2.0
   75    73    40    44   0.29450  1.0 3.0
   75    73    40    46  -0.95700  1.0 1.0
   75    73    40    46  -0.18200 -1.0 2.0
   75    73    40    46   0.29450  1.0 3.0
   76    75    77    68   3.00000 -1.0 2.0
   77    68    70    71   0.23400  1.0 3.0
   77    68    70    72   0.23400  1.0 3.0
   77    68   -70    73   0.62750  1.0 1.0
   77    68   -70    73  -0.30950 -1.0 2.0
   77    68   -70    73   0.27300  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    41   0.31550 -1.0 2.0
   40    33   -38    41   0.11250  1.0 3.0
   40    33    38    47   0.86500  1.0 1.0
   40    33    38    47  -0.17500 -1.0 2.0
   40    33    38    47   0.20800  1.0 3.0
   40    73    75    76   0.30150 -1.0 2.0
   40    73    75    77   0.36750  1.0 3.0
   40    44    50    51   0.15000  1.0 3.0
   40    44    50    52   0.15000  1.0 3.0
   40    44   -50    46   0.00000  1.0 1.0
   40    44    53    54   0.00000  1.0 1.0
   40    44    53    55   0.00000  1.0 1.0
   40    44    53    56   0.00000  1.0 1.0
   44    40    46    49   1.53400  1.0 1.0
   44    40    46    49  -0.09950 -1.0 2.0
   44    40    46    49   0.05700  1.0 3.0
   44    40    46    66  -0.70950  1.0 1.0
   44    40    46    66   0.38400 -1.0 2.0
   44    40   -46    50   0.00000  1.0 1.0
   44    50   -46    49   1.53400  1.0 1.0
   44    50   -46    49  -0.09950 -1.0 2.0
   44    50   -46    49   0.05700  1.0 3.0
   44    50   -46    66  -0.70950  1.0 1.0
   44    50   -46    66   0.38400 -1.0 2.0
   44    50   -46    40   0.00000  1.0 1.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    52   0.15000  1.0 3.0
   45    44    50    46   0.15000  1.0 3.0
   45    44    53    54   0.15000  1.0 3.0
   45    44    53    55   0.15000  1.0 3.0
   45    44    53    56   0.15000  1.0 3.0
   50    44    53    54   0.00000  1.0 1.0
   50    44    53    55   0.00000  1.0 1.0
   50    44    53    56   0.00000  1.0 1.0
   51    50    46    49   0.15000  1.0 3.0
   51    50    46    66   0.15000  1.0 3.0
   51    50   -46    40   0.15000  1.0 3.0
   52    50    46    49   0.15000  1.0 3.0
   52    50    46    66   0.15000  1.0 3.0
   52    50   -46    40   0.15000  1.0 3.0
   46    49    57    58   0.28000  1.0 3.0
   46    49    57    59   0.28000  1.0 3.0
   46    49   -57    60   1.99000  1.0 1.0
   46    49   -57    60   0.18800 -1.0 2.0
   46    49   -57    60   0.81350  1.0 3.0
   46    66    68    69   0.15000  1.0 3.0
   46    66   -68    70   0.31550 -1.0 2.0
   46    66   -68    70   0.11250  1.0 3.0
   46    66    68    77   0.62750  1.0 1.0
   46    66    68    77  -0.30950 -1.0 2.0
   46    66    68    77   0.27300  1.0 3.0
   46    40   -44    45   0.15000  1.0 3.0
   46    40   -44    50   0.00000  1.0 1.0
   46    40    44    53  -0.70950  1.0 1.0
   46    40    44    53   0.38400 -1.0 2.0
   53    44    50    51   0.15000  1.0 3.0
   53    44    50    52   0.15000  1.0 3.0
   53    44   -50    46  -0.70950  1.0 1.0
   53    44   -50    46   0.38400 -1.0 2.0
   47    38    41    42   0.23400  1.0 3.0
   47    38    41    43   0.23400  1.0 3.0
   47    38    41    49   3.18500  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
   73    77    75    76  10.50000 -1.0 2.0
END
