* LIGAND DATABASE FILE (OPLS2005)
*
001      91    90    165    232     477
    1     0 S   NP   _N1_     1    28.25336    97.07911   -21.10496
    2     1 S   H    _HN1     2     1.02957    73.80590   -12.70135
    3     1 S   H    _H1_     3     1.02835    40.56737   131.26425
    4     1 S   H    _H2_     4     1.02776    97.35270  -119.73084
    5     1 S   CT   _CA1     5     1.50126   145.81056    89.89380
    6     5 S   HC   _HA1     6     1.09574   105.22260    86.53488
    7     5 S   CO3  _C1_     7     1.53791   112.37091   -33.67185
    8     7 S   O2Z  _O11     8     1.26365   114.99841   -43.78964
    9     7 S   O2Z  _O12     9     1.26237   114.93438   135.34412
   10     5 S   CT   _CB1    10     1.53099   107.42705  -155.54194
   11    10 S   HC   HB11    11     1.09826   109.35064   -50.48849
   12    10 S   HC   HB12    12     1.09817   110.41731    66.07339
   13    10 S   CT   _CG1    13     1.53014   112.66245  -171.56083
   14    13 S   HC   HG11    14     1.09595   110.48276   -64.04220
   15    13 S   HC   HG12    15     1.09656   109.92815    55.15533
   16    13 S   C    _CD1    16     1.51838   112.33382   175.53911
   17    16 S   O    _OE1    17     1.22746   123.29127    -0.18557
   18    16 S   N    _N2_    18     1.38547   111.68441   179.76930
   19    18 S   H    _HN2    19     1.01561   119.01987     4.75732
   20    18 S   CT1  _CA2    20     1.45890   122.95163   178.04135
   21    20 S   HC   _HA2    21     1.09714   108.98505    22.72135
   22    20 S   C    _C2_    22     1.52857   106.64341   -94.49356
   23    22 S   O    _O2_    23     1.23005   122.87772   -31.18532
   24    20 S   CT   _CB2    32     1.53296   112.14166   145.89838
   25    24 S   HC   HB21    33     1.09427   109.61154    54.29079
   26    24 S   HC   HB22    34     1.09442   109.83773   173.09891
   27    22 S   N    _N3_    24     1.38463   112.71983   151.37371
   28    27 S   H    _HN3    25     1.01654   120.41206    -0.95388
   29    24 S   S    _SG2    35     1.83066   110.53692   -66.46037
   30    27 S   CT   _CA3    26     1.45368   122.39697   178.85380
   31    30 S   HC   HA31    27     1.09564   107.47465   -63.96681
   32    30 S   HC   HA32    28     1.09575   107.92971    52.34149
   33    29 S   CT   _C16    36     1.88671   101.53015   178.96335
   34    30 S   CO3  _C3_    29     1.52885   114.43910   174.41328
   35    34 S   O2Z  _O31    30     1.26322   116.11056     0.78110
   36    34 S   O2Z  _O32    31     1.26459   114.38717  -179.14958
   37    33 S   CM   _C15    37     1.52889   104.82967  -177.34989
   38    37 S   HC   _H25    38     1.09078   115.42294    55.68960
   39    33 S   CM   _C18    73     1.52781   106.89749    62.82715
   40    39 S   HC   _H29    74     1.09493   113.17715    38.96611
   41    33 S   CT   _C17    88     1.53937   107.67487   -63.60124
   42    41 S   HC   _H26    89     1.09514   112.44444    74.35769
   43    41 S   HC   _H27    90     1.09723   111.40908  -165.18108
   44    41 S   HC   _H28    91     1.09771   111.95346   -46.86356
   45    37 S   CM   _C14    39     1.34386   127.41653  -127.47709
   46    45 S   HC   _H24    40     1.08638   120.45042     1.80634
   47    39 S   CMA  _C19    75     1.35811   131.52363  -142.47015
   48    47 S   OM   _O34    76     1.26835   123.29537   178.52594
   49    45 S   CT   _C13    41     1.50375   123.87128  -177.11703
   50    49 S   HC   _H22    42     1.09733   107.27997  -124.55871
   51    49 S   HC   _H23    43     1.09739   110.98059    -8.70847
   52    47 S   OS   _O35    77     1.40847   112.77911    -1.14175
   53    49 S   CT   _C5_    44     1.54524   112.49525   114.74224
   54    53 S   HC   _H3_    45     1.09841   108.49151    51.25154
   55    52 S   CT   _C20    78     1.43694   116.59229  -139.85959
   56    55 S   HC   _H30    79     1.09648   111.29761   -47.80631
   57    53 S   CT   _C4_    46     1.53259   109.15874   168.47310
   58    57 S   HC   _H4_    47     1.09522   111.23532    65.84087
   59    57 S   HC   _H5_    48     1.09546   110.77031   -54.22719
   60    57 S   HC   _H6_    49     1.09389   111.47508  -173.26387
   61    53 S   CT   _C6_    50     1.54542   111.21456   -68.19428
   62    61 S   HC   _H7_    51     1.09749   109.65656   -65.91705
   63    61 S   HC   _H8_    52     1.09588   109.61009    50.63947
   64    55 S   CT   _C21    80     1.52661   110.50817    75.49500
   65    64 S   HC   _H31    81     1.09483   110.82850    54.19774
   66    64 S   HC   _H32    82     1.09437   111.21147   175.26554
   67    64 S   HC   _H33    83     1.09453   111.15493   -64.33739
   68    55 S   CT   _C22    84     1.52632   106.55618  -165.00140
   69    68 S   HC   _H34    85     1.09588   111.04504   -58.79347
   70    68 S   HC   _H35    86     1.09432   111.36802   179.89532
   71    68 S   HC   _H36    87     1.09545   110.32121    59.25881
   72    61 S   CT   _C7_    53     1.53386   113.46236   171.31581
   73    72 S   HC   _H9_    54     1.09381   109.64024    62.91763
   74    72 S   HC   _H10    55     1.09571   109.18744   -54.71175
   75    72 S   CT   _C8_    56     1.53596   110.90693  -176.19250
   76    75 S   HC   _H11    57     1.09807   108.98613   -61.81263
   77    75 S   HC   _H12    58     1.09711   108.24193    53.01868
   78    75 S   CT   _C9_    59     1.54901   114.58784   175.26352
   79    78 S   CT   _C10    60     1.53777   109.80441  -177.12125
   80    79 S   HC   _H13    61     1.09542   111.51613    55.23443
   81    79 S   HC   _H14    62     1.09583   110.91071   174.17368
   82    79 S   HC   _H15    63     1.09544   111.38872   -64.80005
   83    78 S   CT   _C11    64     1.53757   110.43553    63.98908
   84    83 S   HC   _H16    65     1.09526   111.53857   -66.94276
   85    83 S   HC   _H17    66     1.09493   111.77962    55.00952
   86    83 S   HC   _H18    67     1.09669   110.59137   175.66496
   87    78 S   OS   _O33    68     1.43651   111.97400   -52.78553
   88    87 S   CT   _C12    69     1.41964   116.95653   -67.09190
   89    88 S   HC   _H19    70     1.09382   107.87342   173.75496
   90    88 S   HC   _H20    71     1.09168   111.84712    55.21168
   91    88 S   HC   _H21    72     1.09306   110.91879   -68.52718
  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  11   5   4   3
  14   2   1   1  14   5  10   4   5   2   1   1   8   4   6   2
  12   5   4  10  12   8   9   8   7   3   2   1   9   5   4   7
   3   2   1   3   2   1   1   9   5   4  13   5   4  13   9   4
   3   2   5   3   2   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    39    40    47    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    46    49    39    40    47    48    52    41    42    43    44  
   35    36  
   36  
    0  
   38    45    46    49    50    51    53    39    40    47    41    42    43    44  
   45    46    49    39    41  
   40    47    48    52    55    41    42    43    44    45  
   47    48    52    41  
   42    43    44    45    47  
   43    44  
   44  
    0  
   46    49    50    51    53    54    57    61  
   49    50    51    53  
   48    52    55    56    64    68  
   52    55  
   50    51    53    54    57    58    59    60    61    62    63    72  
   51    53    54    57    61  
   53    54    57    61  
   55    56    64    65    66    67    68    69    70    71  
   54    57    58    59    60    61    62    63    72    73    74    75  
   57    58    59    60    61    62    63    72  
   56    64    65    66    67    68    69    70    71  
   64    65    66    67    68    69    70    71  
   58    59    60    61    62    63    72  
   59    60    61  
   60    61  
   61  
   62    63    72    73    74    75    76    77    78  
   63    72    73    74    75  
   72    73    74    75  
   65    66    67    68    69    70    71  
   66    67    68  
   67    68  
   68  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76    77    78    79    83    87  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78    79    80    81    82    83    84    85    86    87    88  
   77    78    79    83    87  
   78    79    83    87  
   79    80    81    82    83    84    85    86    87    88    89    90    91  
   80    81    82    83    84    85    86    87    88  
   81    82    83    87  
   82    83    87  
   83    87  
   84    85    86    87    88  
   85    86    87  
   86    87  
   87  
   88    89    90    91  
   89    90    91  
   90    91  
   91  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   88   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   317.000  1.510
   33    41   268.000  1.529
   37    38   340.000  1.080
   37    45   549.000  1.340
   45    46   340.000  1.080
   45    49   317.000  1.510
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    61   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   268.000  1.529
   78    83   268.000  1.529
   78    87   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   87    88   320.000  1.410
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   39    40   340.000  1.080
   39    47   465.000  1.376
   47    48   745.000  1.250
   47    52   440.000  1.360
   52    55   320.000  1.410
   55    56   340.000  1.090
   55    64   268.000  1.529
   55    68   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  112.20000
   29    33    41    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    45    70.00000  124.00000
   33    39    40    35.00000  117.00000
   33    39    47    70.00000  124.00000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   37    45    46    35.00000  120.00000
   37    45    49    70.00000  124.00000
   45    37    38    35.00000  120.00000
   45    49    50    35.00000  109.50000
   45    49    51    35.00000  109.50000
   45    49    53    70.00000  112.02700
   49    45    46    35.00000  117.00000
   49    53    54    37.50000  110.70000
   49    53    57    58.35000  112.70000
   49    53    61    58.35000  112.70000
   51    49    50    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    60    37.50000  110.70000
   53    61    62    37.50000  110.70000
   53    61    63    37.50000  110.70000
   53    61    72    58.35000  112.70000
   57    53    54    37.50000  110.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    53    54    37.50000  110.70000
   61    53    57    58.35000  112.70000
   61    72    73    37.50000  110.70000
   61    72    74    37.50000  110.70000
   61    72    75    58.35000  112.70000
   63    61    62    33.00000  107.80000
   72    61    62    37.50000  110.70000
   72    61    63    37.50000  110.70000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    78    79    58.35000  112.70000
   75    78    83    58.35000  112.70000
   75    78    87    50.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   78    79    80    37.50000  110.70000
   78    79    81    37.50000  110.70000
   78    79    82    37.50000  110.70000
   78    83    84    37.50000  110.70000
   78    83    85    37.50000  110.70000
   78    83    86    37.50000  110.70000
   78    87    88    60.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    78    79    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   87    78    79    50.00000  109.50000
   87    78    83    50.00000  109.50000
   87    88    89    35.00000  109.50000
   87    88    90    35.00000  109.50000
   87    88    91    35.00000  109.50000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   39    33    37    70.00000  110.12100
   39    47    48    65.00000  137.10300
   39    47    52    80.00000  120.01400
   47    39    40    40.00000  120.50800
   47    52    55    90.00000  111.18400
   52    47    48    65.00000  121.00000
   52    55    56    35.00000  109.50000
   52    55    64    50.00000  109.50000
   52    55    68    50.00000  109.50000
   55    64    65    37.50000  110.70000
   55    64    66    37.50000  110.70000
   55    64    67    37.50000  110.70000
   55    68    69    37.50000  110.70000
   55    68    70    37.50000  110.70000
   55    68    71    37.50000  110.70000
   64    55    56    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    55    56    37.50000  110.70000
   68    55    64    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   41    33    37    70.00000  112.02700
   41    33    39    70.00000  112.02700
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    45   0.42700  1.0 1.0
   29    33    37    45  -0.70350 -1.0 2.0
   29    33    37    45  -0.43150  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    47   0.42700  1.0 1.0
   29    33    39    47  -0.70350 -1.0 2.0
   29    33    39    47  -0.43150  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   33    37    45    46   7.00000 -1.0 2.0
   33    37    45    49   7.00000 -1.0 2.0
   33    39    47    48   7.00000 -1.0 2.0
   33    39    47    52   7.00000 -1.0 2.0
   37    33    39    40   0.00000  1.0 1.0
   37    33    39    47  -0.28300  1.0 1.0
   37    33    39    47   0.26700 -1.0 2.0
   37    33    39    47  -0.63300  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    45    49    50   0.00000  1.0 1.0
   37    45    49    51   0.00000  1.0 1.0
   37    45    49    53   0.09850  1.0 1.0
   37    45    49    53   0.15250 -1.0 2.0
   37    45    49    53  -0.50650  1.0 3.0
   38    37    45    46   7.00000 -1.0 2.0
   38    37    45    49   7.00000 -1.0 2.0
   45    49    53    54   0.15000  1.0 3.0
   45    49    53    57   0.34400  1.0 1.0
   45    49    53    57   0.09450 -1.0 2.0
   45    49    53    57   0.11100  1.0 3.0
   45    49    53    61   0.34400  1.0 1.0
   45    49    53    61   0.09450 -1.0 2.0
   45    49    53    61   0.11100  1.0 3.0
   46    45    49    50   0.33100  1.0 3.0
   46    45    49    51   0.33100  1.0 3.0
   46    45    49    53   0.00000  1.0 1.0
   49    53    57    58   0.15000  1.0 3.0
   49    53    57    59   0.15000  1.0 3.0
   49    53    57    60   0.15000  1.0 3.0
   49    53    61    62   0.15000  1.0 3.0
   49    53    61    63   0.15000  1.0 3.0
   49    53    61    72   0.56750  1.0 1.0
   49    53    61    72  -0.07550 -1.0 2.0
   49    53    61    72   0.20000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    57   0.15000  1.0 3.0
   50    49    53    61   0.15000  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    57   0.15000  1.0 3.0
   51    49    53    61   0.15000  1.0 3.0
   53    61    72    73   0.15000  1.0 3.0
   53    61    72    74   0.15000  1.0 3.0
   53    61    72    75   0.56750  1.0 1.0
   53    61    72    75  -0.07550 -1.0 2.0
   53    61    72    75   0.20000  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    59   0.15000  1.0 3.0
   54    53    57    60   0.15000  1.0 3.0
   54    53    61    62   0.15000  1.0 3.0
   54    53    61    63   0.15000  1.0 3.0
   54    53    61    72   0.15000  1.0 3.0
   57    53    61    62   0.15000  1.0 3.0
   57    53    61    63   0.15000  1.0 3.0
   57    53    61    72   0.56750  1.0 1.0
   57    53    61    72  -0.07550 -1.0 2.0
   57    53    61    72   0.20000  1.0 3.0
   61    53    57    58   0.15000  1.0 3.0
   61    53    57    59   0.15000  1.0 3.0
   61    53    57    60   0.15000  1.0 3.0
   61    72    75    76   0.15000  1.0 3.0
   61    72    75    77   0.15000  1.0 3.0
   61    72    75    78   0.56750  1.0 1.0
   61    72    75    78  -0.07550 -1.0 2.0
   61    72    75    78   0.20000  1.0 3.0
   62    61    72    73   0.15000  1.0 3.0
   62    61    72    74   0.15000  1.0 3.0
   62    61    72    75   0.15000  1.0 3.0
   63    61    72    73   0.15000  1.0 3.0
   63    61    72    74   0.15000  1.0 3.0
   63    61    72    75   0.15000  1.0 3.0
   72    75    78    79   0.56750  1.0 1.0
   72    75    78    79  -0.07550 -1.0 2.0
   72    75    78    79   0.20000  1.0 3.0
   72    75    78    83   0.56750  1.0 1.0
   72    75    78    83  -0.07550 -1.0 2.0
   72    75    78    83   0.20000  1.0 3.0
   72    75    78    87   0.62750  1.0 1.0
   72    75    78    87  -0.30950 -1.0 2.0
   72    75    78    87   0.27300  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   73    72    75    78   0.15000  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    77   0.15000  1.0 3.0
   74    72    75    78   0.15000  1.0 3.0
   75    78    79    80   0.15000  1.0 3.0
   75    78    79    81   0.15000  1.0 3.0
   75    78    79    82   0.15000  1.0 3.0
   75    78    83    84   0.15000  1.0 3.0
   75    78    83    85   0.15000  1.0 3.0
   75    78    83    86   0.15000  1.0 3.0
   75    78    87    88   0.06250  1.0 1.0
   75    78    87    88  -0.01100 -1.0 2.0
   75    78    87    88   0.28050  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    83   0.15000  1.0 3.0
   76    75    78    87   0.23400  1.0 3.0
   77    75    78    79   0.15000  1.0 3.0
   77    75    78    83   0.15000  1.0 3.0
   77    75    78    87   0.23400  1.0 3.0
   78    87    88    89   0.37050  1.0 3.0
   78    87    88    90   0.37050  1.0 3.0
   78    87    88    91   0.37050  1.0 3.0
   79    78    83    84   0.15000  1.0 3.0
   79    78    83    85   0.15000  1.0 3.0
   79    78    83    86   0.15000  1.0 3.0
   79    78    87    88   0.06250  1.0 1.0
   79    78    87    88  -0.01100 -1.0 2.0
   79    78    87    88   0.28050  1.0 3.0
   83    78    79    80   0.15000  1.0 3.0
   83    78    79    81   0.15000  1.0 3.0
   83    78    79    82   0.15000  1.0 3.0
   83    78    87    88   0.06250  1.0 1.0
   83    78    87    88  -0.01100 -1.0 2.0
   83    78    87    88   0.28050  1.0 3.0
   87    78    79    80   0.23400  1.0 3.0
   87    78    79    81   0.23400  1.0 3.0
   87    78    79    82   0.23400  1.0 3.0
   87    78    83    84   0.23400  1.0 3.0
   87    78    83    85   0.23400  1.0 3.0
   87    78    83    86   0.23400  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    45  -0.28300  1.0 1.0
   39    33    37    45   0.26700 -1.0 2.0
   39    33    37    45  -0.63300  1.0 3.0
   39    33    41    42   0.15000  1.0 3.0
   39    33    41    43   0.15000  1.0 3.0
   39    33    41    44   0.15000  1.0 3.0
   39    47    52    55  -2.26850  1.0 1.0
   39    47    52    55   3.39050 -1.0 2.0
   40    39    47    48   7.00000 -1.0 2.0
   40    39    47    52   7.00000 -1.0 2.0
   47    52    55    56   0.08050  1.0 3.0
   47    52    55    64  -0.46850  1.0 1.0
   47    52    55    64   0.09300 -1.0 2.0
   47    52    55    64  -0.12850  1.0 3.0
   47    52    55    68  -0.46850  1.0 1.0
   47    52    55    68   0.09300 -1.0 2.0
   47    52    55    68  -0.12850  1.0 3.0
   48    47    52    55   2.00000 -1.0 2.0
   52    55    64    65   0.23400  1.0 3.0
   52    55    64    66   0.23400  1.0 3.0
   52    55    64    67   0.23400  1.0 3.0
   52    55    68    69   0.23400  1.0 3.0
   52    55    68    70   0.23400  1.0 3.0
   52    55    68    71   0.23400  1.0 3.0
   56    55    64    65   0.15000  1.0 3.0
   56    55    64    66   0.15000  1.0 3.0
   56    55    64    67   0.15000  1.0 3.0
   56    55    68    69   0.15000  1.0 3.0
   56    55    68    70   0.15000  1.0 3.0
   56    55    68    71   0.15000  1.0 3.0
   64    55    68    69   0.15000  1.0 3.0
   64    55    68    70   0.15000  1.0 3.0
   64    55    68    71   0.15000  1.0 3.0
   68    55    64    65   0.15000  1.0 3.0
   68    55    64    66   0.15000  1.0 3.0
   68    55    64    67   0.15000  1.0 3.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    45   0.09850  1.0 1.0
   41    33    37    45   0.15250 -1.0 2.0
   41    33    37    45  -0.50650  1.0 3.0
   41    33    39    40   0.00000  1.0 1.0
   41    33    39    47   0.09850  1.0 1.0
   41    33    39    47   0.15250 -1.0 2.0
   41    33    39    47  -0.50650  1.0 3.0
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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    45  15.00000 -1.0 2.0
   49    46    45    37  15.00000 -1.0 2.0
   33    40    39    47  15.00000 -1.0 2.0
   48    52    47    39  15.00000 -1.0 2.0
END
