* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    156    246     465
    1     0 S   NP   _N1_     1    29.08817    95.66823   -19.48407
    2     1 S   H    _HN1     2     1.02770    81.24510   -65.70063
    3     1 S   H    _H1_     3     1.02968    91.27791    42.67230
    4     1 S   H    _H2_     4     1.02830    37.80409   159.27247
    5     1 S   CT   _CA1     5     1.50137   147.70679   175.95916
    6     5 S   HC   _HA1     6     1.09586   105.17131    48.08871
    7     5 S   CO3  _C1_     7     1.53726   112.55401   -71.82135
    8     7 S   O2Z  _O11     8     1.26327   114.99696   -39.89712
    9     7 S   O2Z  _O12     9     1.26261   114.93258   139.33692
   10     5 S   CT   _CB1    10     1.53116   107.37849   165.79585
   11    10 S   HC   HB11    11     1.09807   108.98714   -52.55948
   12    10 S   HC   HB12    12     1.09822   110.49627    63.87824
   13    10 S   CT   _CG1    13     1.52969   112.79780  -173.91685
   14    13 S   HC   HG11    14     1.09527   110.13416   -67.67681
   15    13 S   HC   HG12    15     1.09653   110.14450    51.42188
   16    13 S   C    _CD1    16     1.51808   112.54849   171.43003
   17    16 S   O    _OE1    17     1.22710   123.26595    -9.94206
   18    16 S   N    _N2_    18     1.38621   111.61565   171.29367
   19    18 S   H    _HN2    19     1.01595   118.95670    -0.60749
   20    18 S   CT1  _CA2    20     1.46227   123.45693   178.50041
   21    20 S   HC   _HA2    21     1.09735   109.32832   -16.28299
   22    20 S   C    _C2_    22     1.53464   107.94165  -131.77856
   23    22 S   O    _O2_    23     1.22999   122.33351  -144.91554
   24    20 S   CT   _CB2    32     1.53323   111.58334   106.13486
   25    24 S   HC   HB21    33     1.09553   109.91642    53.95765
   26    24 S   HC   HB22    34     1.09520   110.62268   172.06313
   27    22 S   N    _N3_    24     1.38539   113.28675    42.33432
   28    27 S   H    _HN3    25     1.01533   118.91580    -0.44543
   29    24 S   S    _SG2    35     1.82938   111.99493   -69.18478
   30    27 S   CT   _CA3    26     1.45454   123.47250   175.20057
   31    30 S   HC   HA31    27     1.09521   109.26276    23.72305
   32    30 S   HC   HA32    28     1.09496   107.10771   140.73775
   33    29 S   CT   _C20    36     1.82574    99.67486   139.40847
   34    33 S   HC   _H3_    37     1.09379   107.60939    46.85502
   35    33 S   HC   _H4_    38     1.09580   107.12779   161.67101
   36    30 S   CO3  _C3_    29     1.52930   113.12187   -99.77206
   37    36 S   O2Z  _O31    30     1.26402   115.41691   -43.82496
   38    36 S   O2Z  _O32    31     1.26355   114.97188   137.10591
   39    33 S   CT   _C10    39     1.53177   112.14599   -76.90723
   40    39 S   HC   _H30    40     1.09204   112.05083    37.38777
   41    39 S   CO4  _C5_    41     1.51107   112.09872   -83.76861
   42    41 S   O    _O19    42     1.22107   126.19093    44.21302
   43    41 S   OS   _O21    43     1.36620   109.95355  -137.03054
   44    43 S   CT   _C14    44     1.44516   111.21953    -3.68025
   45    44 S   HC   _H34    45     1.09872   106.05009   136.10161
   46    39 S   CT   _C12    46     1.53210   112.25258   163.16878
   47    46 S   HC   _H32    47     1.10354   106.39455    39.77196
   48    44 S   CT   _C16    65     1.54980   109.79331  -107.08478
   49    46 S   CT   _C15    48     1.53596   115.96102   -77.12201
   50    49 S   HC   _H35    49     1.09752   106.59700    54.05139
   51    48 S   CT   _C19    66     1.53286   115.18277    45.13791
   52    51 S   HC   _H42    67     1.08992   112.69975    64.03962
   53    51 S   HC   _H43    68     1.09553   111.34251   -56.85225
   54    51 S   HC   _H44    69     1.09567   111.69346  -174.88879
   55    49 S   CT   _C9_    50     1.53241   115.79425   -65.35112
   56    55 S   HC   _H28    51     1.09971   107.18462   157.74786
   57    55 S   HC   _H29    52     1.09377   110.30679    44.97101
   58    49 S   OS   _O22    74     1.44520   107.81428   169.57719
   59    55 S   CT   _C13    53     1.53960   117.09002   -83.24582
   60    59 S   HC   _H33    54     1.10055   106.36259   -76.66510
   61    58 S   CO4  _C6_    75     1.36275   117.68648  -152.91687
   62    61 S   O    _O20    76     1.22291   126.45592     0.56648
   63    59 S   CT   _C11    55     1.54311   114.92123    39.42816
   64    63 S   HC   _H31    56     1.10137   105.83936   -79.06340
   65    59 S   CT   _C18    70     1.53496   109.06418   170.94032
   66    65 S   HC   _H39    71     1.09257   112.24070   -70.71622
   67    65 S   HC   _H40    72     1.09439   111.38037   167.49427
   68    65 S   HC   _H41    73     1.09609   110.48837    49.22677
   69    61 S   CT   _C17    77     1.49826   109.41881  -179.21068
   70    69 S   HC   _H36    78     1.09288   109.83958   -60.82684
   71    69 S   HC   _H37    79     1.09375   109.37129  -179.89165
   72    69 S   HC   _H38    80     1.09298   109.78369    61.05912
   73    63 S   CT   _C8_    57     1.53560   114.62201   166.12204
   74    73 S   HC   _H26    58     1.09467   112.21175    64.25677
   75    73 S   HC   _H27    59     1.09541   111.95097   -57.33609
   76    73 S   CT   _C7_    60     1.51893   103.96398  -175.07885
   77    76 S   HC   _H24    61     1.09375   111.51586   -83.50519
   78    76 S   HC   _H25    62     1.09209   111.89284   151.76448
   79    76 S   CO4  _C4_    63     1.50676   102.09053    32.67006
   80    79 S   O    _O18    64     1.22609   122.43873   168.25612
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  19   7  13   5  19
  12   6  10   4   3   2  13   6   5   7  12   7   5   4  13   6
   4   2   1   1   3   2   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    46    47    49  
   35    39    40    41    46  
   39    40    41    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    49    50    55    48    58  
   41    42    43    44    46    47    49  
   42    43    44    45    46    47    49    48  
   43    44    46  
   44    45    46    47    49    63    79    48    51  
   45    46    47    49    50    55    59    63    64    73    76    79    80    48    51    52    53    54    58  
   46    47    49    63    79    48    51  
   47    49    50    55    56    57    59    63    79    48    51    58    61  
   49    50    55    48    58  
   51    52    53    54    65    49    55    59    60    63    64    73    74    75    76    77    78    79    80  
   50    55    56    57    59    60    63    65    58    61    62    69  
   55    56    57    59    58    61  
   52    53    54    59    63    64    73    76    79    80  
   53    54    63    79  
   54    63    79  
   63    79  
   56    57    59    60    63    64    73    65    66    67    68    58    61  
   57    59    60    63    65    58  
   59    60    63    65    58  
   61    62    69    70    71    72    59  
   60    63    64    73    74    75    76    79    65    66    67    68  
   63    64    73    65    66    67    68  
   62    69    70    71    72  
   69    70    71    72  
   64    73    74    75    76    77    78    79    80    65    66    67    68  
   73    74    75    76    79    65  
   66    67    68    73  
   67    68  
   68  
    0  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    77    78    79    80  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79    80  
   78    79    80  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    46   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    55   268.000  1.529
   49    58   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    59   268.000  1.529
   59    60   340.000  1.090
   59    63   268.000  1.529
   59    65   268.000  1.529
   63    64   340.000  1.090
   63    73   268.000  1.529
   63    48   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   317.000  1.522
   79    80   570.000  1.229
   79    48   317.000  1.522
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   58    61   214.000  1.327
   61    62   570.000  1.229
   61    69   317.000  1.522
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    46    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    46    44    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    49    58.35000  112.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    49    58.35000  112.70000
   44    48    63    58.35000  112.70000
   44    48    79    63.00000  111.10000
   44    48    51    58.35000  112.70000
   46    39    40    37.50000  110.70000
   46    39    41    63.00000  111.10000
   46    44    45    37.50000  110.70000
   46    49    50    37.50000  110.70000
   46    49    55    58.35000  112.70000
   46    49    58    50.00000  109.50000
   49    46    47    37.50000  110.70000
   49    55    56    37.50000  110.70000
   49    55    57    37.50000  110.70000
   49    55    59    58.35000  112.70000
   49    58    61    83.00000  116.90000
   55    49    50    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    63    58.35000  112.70000
   55    59    65    58.35000  112.70000
   57    55    56    33.00000  107.80000
   59    55    56    37.50000  110.70000
   59    55    57    37.50000  110.70000
   59    63    64    37.50000  110.70000
   59    63    73    58.35000  112.70000
   59    63    48    58.35000  112.70000
   59    65    66    37.50000  110.70000
   59    65    67    37.50000  110.70000
   59    65    68    37.50000  110.70000
   63    59    60    37.50000  110.70000
   63    73    74    37.50000  110.70000
   63    73    75    37.50000  110.70000
   63    73    76    58.35000  112.70000
   63    48    79    63.00000  111.10000
   63    48    51    58.35000  112.70000
   73    63    64    37.50000  110.70000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    63.00000  111.10000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    79    80    80.00000  120.40000
   76    79    48    70.00000  116.00000
   78    76    77    33.00000  107.80000
   79    76    77    35.00000  109.50000
   79    76    78    35.00000  109.50000
   79    48    51    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    63    64    37.50000  110.70000
   48    63    73    58.35000  112.70000
   48    79    80    80.00000  120.40000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    37.50000  110.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   65    59    60    37.50000  110.70000
   65    59    63    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   58    49    50    35.00000  109.50000
   58    49    55    50.00000  109.50000
   58    61    62    83.00000  123.40000
   58    61    69    81.00000  111.40000
   61    69    70    35.00000  109.50000
   61    69    71    35.00000  109.50000
   61    69    72    35.00000  109.50000
   69    61    62    80.00000  120.40000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   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    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    46    44   0.56750  1.0 1.0
   33    39    46    44  -0.07550 -1.0 2.0
   33    39    46    44   0.20000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    49   0.56750  1.0 1.0
   33    39    46    49  -0.07550 -1.0 2.0
   33    39    46    49   0.20000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    46   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    46   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   39    46    49    50   0.15000  1.0 3.0
   39    46    49    55   0.56750  1.0 1.0
   39    46    49    55  -0.07550 -1.0 2.0
   39    46    49    55   0.20000  1.0 3.0
   39    46    49    58   0.62750  1.0 1.0
   39    46    49    58  -0.30950 -1.0 2.0
   39    46    49    58   0.27300  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    46    44   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    49   0.15000  1.0 3.0
   41    39   -46    44  -0.95700  1.0 1.0
   41    39   -46    44  -0.18200 -1.0 2.0
   41    39   -46    44   0.29450  1.0 3.0
   41    39    46    47  -0.11250  1.0 3.0
   41    39    46    49  -0.95700  1.0 1.0
   41    39    46    49  -0.18200 -1.0 2.0
   41    39    46    49   0.29450  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43   -44    46  -0.25900  1.0 1.0
   41    43   -44    46  -0.47000 -1.0 2.0
   41    43   -44    46   0.11750  1.0 3.0
   41    43    44    48  -0.25900  1.0 1.0
   41    43    44    48  -0.47000 -1.0 2.0
   41    43    44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44   -46    39   0.62750  1.0 1.0
   43    44   -46    39  -0.30950 -1.0 2.0
   43    44   -46    39   0.27300  1.0 3.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    49   0.62750  1.0 1.0
   43    44    46    49  -0.30950 -1.0 2.0
   43    44    46    49   0.27300  1.0 3.0
   43    44    48    63   0.62750  1.0 1.0
   43    44    48    63  -0.30950 -1.0 2.0
   43    44    48    63   0.27300  1.0 3.0
   43    44    48    79  -0.09450  1.0 1.0
   43    44    48    79  -1.12950 -1.0 2.0
   43    44    48    79   0.54000  1.0 3.0
   43    44    48    51   0.62750  1.0 1.0
   43    44    48    51  -0.30950 -1.0 2.0
   43    44    48    51   0.27300  1.0 3.0
   44    46    49    50   0.15000  1.0 3.0
   44    46    49    55   0.56750  1.0 1.0
   44    46    49    55  -0.07550 -1.0 2.0
   44    46    49    55   0.20000  1.0 3.0
   44    46    49    58   0.62750  1.0 1.0
   44    46    49    58  -0.30950 -1.0 2.0
   44    46    49    58   0.27300  1.0 3.0
   44    48    51    52   0.15000  1.0 3.0
   44    48    51    53   0.15000  1.0 3.0
   44    48    51    54   0.15000  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    49   0.15000  1.0 3.0
   45    44    48    63   0.15000  1.0 3.0
   45    44    48    79  -0.11250  1.0 3.0
   45    44    48    51   0.15000  1.0 3.0
   46    39    41    42   0.30150 -1.0 2.0
   46    39   -41    43   0.36750  1.0 3.0
   46    44    48    63   0.56750  1.0 1.0
   46    44    48    63  -0.07550 -1.0 2.0
   46    44    48    63   0.20000  1.0 3.0
   46    44    48    79  -0.95700  1.0 1.0
   46    44    48    79  -0.18200 -1.0 2.0
   46    44    48    79   0.29450  1.0 3.0
   46    44    48    51   0.56750  1.0 1.0
   46    44    48    51  -0.07550 -1.0 2.0
   46    44    48    51   0.20000  1.0 3.0
   46    49    55    56   0.15000  1.0 3.0
   46    49    55    57   0.15000  1.0 3.0
   46    49    55    59   0.56750  1.0 1.0
   46    49    55    59  -0.07550 -1.0 2.0
   46    49    55    59   0.20000  1.0 3.0
   46    49    58    61  -0.25900  1.0 1.0
   46    49    58    61  -0.47000 -1.0 2.0
   46    49    58    61   0.11750  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    55   0.15000  1.0 3.0
   47    46    49    58   0.23400  1.0 3.0
   49    55    59    60   0.15000  1.0 3.0
   49    55    59    63   0.56750  1.0 1.0
   49    55    59    63  -0.07550 -1.0 2.0
   49    55    59    63   0.20000  1.0 3.0
   49    55    59    65   0.56750  1.0 1.0
   49    55    59    65  -0.07550 -1.0 2.0
   49    55    59    65   0.20000  1.0 3.0
   49    58    61    62   3.00000 -1.0 2.0
   49    58    61    69   1.63150  1.0 1.0
   49    58    61    69   2.92000 -1.0 2.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    57   0.15000  1.0 3.0
   50    49    55    59   0.15000  1.0 3.0
   50    49    58    61   0.08050  1.0 3.0
   55    49    58    61  -0.25900  1.0 1.0
   55    49    58    61  -0.47000 -1.0 2.0
   55    49    58    61   0.11750  1.0 3.0
   55    59    63    64   0.15000  1.0 3.0
   55    59    63    73   0.56750  1.0 1.0
   55    59    63    73  -0.07550 -1.0 2.0
   55    59    63    73   0.20000  1.0 3.0
   55    59    63    48   0.56750  1.0 1.0
   55    59    63    48  -0.07550 -1.0 2.0
   55    59    63    48   0.20000  1.0 3.0
   55    59    65    66   0.15000  1.0 3.0
   55    59    65    67   0.15000  1.0 3.0
   55    59    65    68   0.15000  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    63   0.15000  1.0 3.0
   56    55    59    65   0.15000  1.0 3.0
   57    55    59    60   0.15000  1.0 3.0
   57    55    59    63   0.15000  1.0 3.0
   57    55    59    65   0.15000  1.0 3.0
   59    63    73    74   0.15000  1.0 3.0
   59    63    73    75   0.15000  1.0 3.0
   59    63    73    76   0.56750  1.0 1.0
   59    63    73    76  -0.07550 -1.0 2.0
   59    63    73    76   0.20000  1.0 3.0
   59    63    48    44   0.56750  1.0 1.0
   59    63    48    44  -0.07550 -1.0 2.0
   59    63    48    44   0.20000  1.0 3.0
   59    63    48    79  -0.95700  1.0 1.0
   59    63    48    79  -0.18200 -1.0 2.0
   59    63    48    79   0.29450  1.0 3.0
   59    63    48    51   0.56750  1.0 1.0
   59    63    48    51  -0.07550 -1.0 2.0
   59    63    48    51   0.20000  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    73   0.15000  1.0 3.0
   60    59    63    48   0.15000  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    67   0.15000  1.0 3.0
   60    59    65    68   0.15000  1.0 3.0
   63    59    65    66   0.15000  1.0 3.0
   63    59    65    67   0.15000  1.0 3.0
   63    59    65    68   0.15000  1.0 3.0
   63    73    76    77   0.15000  1.0 3.0
   63    73    76    78   0.15000  1.0 3.0
   63    73   -76    79  -0.95700  1.0 1.0
   63    73   -76    79  -0.18200 -1.0 2.0
   63    73   -76    79   0.29450  1.0 3.0
   63    48    51    52   0.15000  1.0 3.0
   63    48    51    53   0.15000  1.0 3.0
   63    48    51    54   0.15000  1.0 3.0
   64    63    73    74   0.15000  1.0 3.0
   64    63    73    75   0.15000  1.0 3.0
   64    63    73    76   0.15000  1.0 3.0
   64    63    48    44   0.15000  1.0 3.0
   64    63    48    79  -0.11250  1.0 3.0
   64    63    48    51   0.15000  1.0 3.0
   73    63    48    44   0.56750  1.0 1.0
   73    63    48    44  -0.07550 -1.0 2.0
   73    63    48    44   0.20000  1.0 3.0
   73    63   -48    79  -0.95700  1.0 1.0
   73    63   -48    79  -0.18200 -1.0 2.0
   73    63   -48    79   0.29450  1.0 3.0
   73    63    48    51   0.56750  1.0 1.0
   73    63    48    51  -0.07550 -1.0 2.0
   73    63    48    51   0.20000  1.0 3.0
   73    76    79    80   0.30150 -1.0 2.0
   73    76   -79    48   0.60050  1.0 1.0
   73    76   -79    48   0.05600 -1.0 2.0
   73    76   -79    48   0.26150  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79  -0.11250  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78   0.15000  1.0 3.0
   75    73    76    79  -0.11250  1.0 3.0
   76    79    48    44   0.60050  1.0 1.0
   76    79    48    44   0.05600 -1.0 2.0
   76    79    48    44   0.26150  1.0 3.0
   76    79   -48    63   0.60050  1.0 1.0
   76    79   -48    63   0.05600 -1.0 2.0
   76    79   -48    63   0.26150  1.0 3.0
   76    79    48    51   0.60050  1.0 1.0
   76    79    48    51   0.05600 -1.0 2.0
   76    79    48    51   0.26150  1.0 3.0
   77    76    79    80   0.00000  1.0 1.0
   77    76    79    48   0.00000  1.0 1.0
   78    76    79    80   0.00000  1.0 1.0
   78    76    79    48   0.00000  1.0 1.0
   79    48    51    52  -0.11250  1.0 3.0
   79    48    51    53  -0.11250  1.0 3.0
   79    48    51    54  -0.11250  1.0 3.0
   80    79    48    44   0.30150 -1.0 2.0
   80    79    48    63   0.30150 -1.0 2.0
   80    79    48    51   0.30150 -1.0 2.0
   48    44    46    39   0.56750  1.0 1.0
   48    44    46    39  -0.07550 -1.0 2.0
   48    44    46    39   0.20000  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    49   0.56750  1.0 1.0
   48    44    46    49  -0.07550 -1.0 2.0
   48    44    46    49   0.20000  1.0 3.0
   48    63    73    74   0.15000  1.0 3.0
   48    63    73    75   0.15000  1.0 3.0
   48    63   -73    76   0.56750  1.0 1.0
   48    63   -73    76  -0.07550 -1.0 2.0
   48    63   -73    76   0.20000  1.0 3.0
   65    59    63    64   0.15000  1.0 3.0
   65    59    63    73   0.56750  1.0 1.0
   65    59    63    73  -0.07550 -1.0 2.0
   65    59    63    73   0.20000  1.0 3.0
   65    59    63    48   0.56750  1.0 1.0
   65    59    63    48  -0.07550 -1.0 2.0
   65    59    63    48   0.20000  1.0 3.0
   58    49    55    56   0.23400  1.0 3.0
   58    49    55    57   0.23400  1.0 3.0
   58    49    55    59   0.62750  1.0 1.0
   58    49    55    59  -0.30950 -1.0 2.0
   58    49    55    59   0.27300  1.0 3.0
   58    61    69    70   0.00000  1.0 1.0
   58    61    69    71   0.00000  1.0 1.0
   58    61    69    72   0.00000  1.0 1.0
   62    61    69    70   0.00000  1.0 1.0
   62    61    69    71   0.00000  1.0 1.0
   62    61    69    72   0.00000  1.0 1.0
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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   76    48    79    80  10.50000 -1.0 2.0
   58    69    61    62  10.50000 -1.0 2.0
END
