* LIGAND DATABASE FILE (OPLS2005)
*
001      89    88    158    233     465
    1     0 S   NP   _N1_     1    30.27218    89.95819   -23.86510
    2     1 S   H    _HN1     2     1.02809    11.27585    32.23997
    3     1 S   H    _H1_     3     1.02763   101.62834   -93.10825
    4     1 S   H    _H2_     4     1.03165   118.34691    24.51519
    5     1 S   CT   _CA1     5     1.50134   106.10615   149.57964
    6     5 S   HC   _HA1     6     1.09565   105.30401    52.81627
    7     5 S   CO3  _C1_     7     1.53778   112.43052   -67.50532
    8     7 S   O2Z  _O11     8     1.26331   115.14519   -45.80318
    9     7 S   O2Z  _O12     9     1.26264   114.83938   133.36839
   10     5 S   CT   _CB1    10     1.52938   107.18559   170.77503
   11    10 S   HC   HB11    11     1.09810   109.37115   -50.03713
   12    10 S   HC   HB12    12     1.09747   110.03448    66.30305
   13    10 S   CT   _CG1    13     1.53071   113.27935  -171.65677
   14    13 S   HC   HG11    14     1.09559   110.34279   -58.95397
   15    13 S   HC   HG12    15     1.09574   110.43736    60.56793
   16    13 S   C    _CD1    16     1.51742   111.20841  -179.50862
   17    16 S   O    _OE1    17     1.22779   122.84024   -19.44954
   18    16 S   N    _N2_    18     1.38540   112.46546   161.03214
   19    18 S   H    _HN2    19     1.01573   119.39761     4.01288
   20    18 S   CT1  _CA2    20     1.46062   122.75290  -175.04354
   21    20 S   HC   _HA2    21     1.09588   109.15339    -3.24552
   22    20 S   C    _C2_    22     1.53342   109.45106  -118.33466
   23    22 S   O    _O2_    23     1.23043   121.99890  -147.94414
   24    20 S   CT   _CB2    32     1.53603   111.91831   118.35273
   25    24 S   HC   HB21    33     1.09673   109.31669    70.50977
   26    24 S   HC   HB22    34     1.09529   110.63162  -172.82009
   27    22 S   N    _N3_    24     1.38436   113.54812    39.83684
   28    27 S   H    _HN3    25     1.01498   118.98528    -0.92957
   29    24 S   S    _SG2    35     1.83173   115.44694   -48.55706
   30    27 S   CT   _CA3    26     1.45429   123.34012   174.02289
   31    30 S   HC   HA31    27     1.09530   109.09262    27.48029
   32    30 S   HC   HA32    28     1.09487   107.17606   144.54290
   33    29 S   CT   _C14    36     1.83846   101.27345   -64.07248
   34    33 S   HC   _H3_    37     1.09221   108.77606    38.45813
   35    30 S   CO3  _C3_    29     1.52971   113.16957   -95.82380
   36    35 S   O2Z  _O31    30     1.26400   115.48774   -41.73186
   37    35 S   O2Z  _O32    31     1.26363   114.92006   139.13900
   38    33 S   CM   _C15    38     1.51058   106.95236   156.04577
   39    38 S   HC   _H22    39     1.08890   117.22667    63.53500
   40    33 S   CT   _C13    62     1.53007   110.00075   -82.09002
   41    40 S   HC   _H20    63     1.09790   111.52356   -64.15852
   42    40 S   HC   _H21    64     1.09633   111.75149    55.07367
   43    38 S   CM   _C16    40     1.34283   123.10879  -116.02785
   44    43 S   HC   _H23    41     1.08504   118.79383    -0.94812
   45    40 S   CO4  _C12    65     1.52046   111.74971   175.15580
   46    45 S   O    _O33    66     1.23149   120.40642   102.31865
   47    43 S   CM   _C17    42     1.44469   123.25472   178.59041
   48    47 S   HC   _H24    43     1.08882   116.23936     2.22378
   49    45 S   CT   _C11    67     1.52389   116.53883   -77.66924
   50    49 S   HC   _H18    68     1.09551   108.24839   -60.51748
   51    49 S   HC   _H19    69     1.09282   109.14695    56.21427
   52    47 S   CM   _C18    44     1.34295   126.46670  -178.06003
   53    52 S   HC   _H25    45     1.08950   116.67316  -179.36820
   54    49 S   CM   _C10    70     1.49780   111.36504   179.95154
   55    54 S   HC   _H17    71     1.08890   115.55194    77.92468
   56    52 S   CT   _C19    46     1.50281   127.88890     0.87938
   57    56 S   HC   _H4_    47     1.09314   111.03957    19.02278
   58    54 S   CM   _C9_    72     1.34220   127.08982  -103.14765
   59    58 S   HC   _H16    73     1.08887   117.39747  -178.93872
   60    56 S   CT   _C20    48     1.53575   112.90382  -102.90260
   61    60 S   HC   _H26    49     1.09599   107.75224   175.55063
   62    60 S   HC   _H27    50     1.09667   109.55269    59.82376
   63    56 S   OH   _O36    60     1.42895   107.98870   134.62367
   64    63 S   HO   _H32    61     0.97328   107.40098   162.95754
   65    58 S   CT   _C8_    74     1.50212   127.13509     2.45144
   66    65 S   HC   _H14    75     1.09347   111.04607    15.08914
   67    65 S   HC   _H15    76     1.09662   108.03582   131.12981
   68    60 S   CT   _C21    51     1.53518   114.49037   -63.43587
   69    68 S   HC   _H28    52     1.09585   110.50064   -50.98087
   70    68 S   HC   _H29    53     1.09632   109.30427    66.27347
   71    65 S   CT   _C7_    77     1.53020   111.05896  -108.60951
   72    71 S   HC   _H12    78     1.09746   109.97482    60.26012
   73    71 S   HC   _H13    79     1.09781   109.15832   -56.29255
   74    68 S   CT   _C22    54     1.52703   111.86772  -173.76558
   75    74 S   HC   _H30    55     1.09730   108.47478  -169.65219
   76    74 S   HC   _H31    56     1.09711   109.53135   -53.33118
   77    71 S   CT   _C6_    80     1.53181   113.38078  -176.84191
   78    77 S   HC   _H10    81     1.09714   108.14015   171.20051
   79    77 S   HC   _H11    82     1.09671   109.72187    55.15236
   80    74 S   CO3  _C23    57     1.53342   116.29758    70.60576
   81    80 S   O2Z  _O35    58     1.26465   114.20591  -162.37106
   82    80 S   O2Z  _O34    59     1.26204   116.43645    18.09834
   83    77 S   CT   _C5_    83     1.52876   113.14327   -68.02755
   84    83 S   HC   _H8_    84     1.09404   110.23770    63.84768
   85    83 S   HC   _H9_    85     1.09613   109.88942   -54.19619
   86    83 S   CT   _C4_    86     1.52082   111.57643  -175.29655
   87    86 S   HC   _H5_    87     1.09462   110.98406    60.77879
   88    86 S   HC   _H6_    88     1.09440   110.24328  -179.55413
   89    86 S   HC   _H7_    89     1.09432   111.11425   -59.77154
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  12   7   2   1   1  10   4   9   4   3   6   3   7   4   7   3
   7   4   3   9   4   7   3  10   6   8   4  11   6   5   2   1
   9   5   4   8   5   4   9   5   4   5   4   3   9   5   4   2
   1   1   6   5   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    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    40    41    42    45    46    49  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    48    52    40    41    42    45  
   43    44    47    40  
   41    42    45    46    49    50    51    54    43  
   42    45    46    49  
   45    46    49  
   44    47    48    52    53    56  
   47    48    52  
   46    49    50    51    54    55    58  
   49    50    51    54  
   48    52    53    56    57    60    63  
   52    53    56  
   50    51    54    55    58    59    65  
   51    54    55    58  
   54    55    58  
   53    56    57    60    61    62    68    63    64  
   56    57    60    63  
   55    58    59    65    66    67    71  
   58    59    65  
   57    60    61    62    68    69    70    74    63    64  
   60    61    62    68    63    64  
   59    65    66    67    71    72    73    77  
   65    66    67    71  
   61    62    68    69    70    74    75    76    80    63    64  
   62    68    69    70    74    63  
   68    69    70    74    63  
   64    68  
    0  
   66    67    71    72    73    77    78    79    83  
   67    71    72    73    77  
   71    72    73    77  
   69    70    74    75    76    80    81    82  
   70    74    75    76    80  
   74    75    76    80  
   72    73    77    78    79    83    84    85    86  
   73    77    78    79    83  
   77    78    79    83  
   75    76    80    81    82  
   76    80    81    82  
   80    81    82  
   78    79    83    84    85    86    87    88    89  
   79    83    84    85    86  
   83    84    85    86  
   81    82  
   82  
    0  
   84    85    86    87    88    89  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   83   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   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    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   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   340.000  1.080
   43    47   380.000  1.444
   47    48   340.000  1.080
   47    52   549.000  1.340
   52    53   340.000  1.080
   52    56   317.000  1.510
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    63   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    80   317.000  1.522
   80    81   656.000  1.250
   80    82   656.000  1.250
   63    64   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   317.000  1.510
   54    55   340.000  1.080
   54    58   549.000  1.340
   58    59   340.000  1.080
   58    65   317.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   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    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  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    43    44    35.00000  120.00000
   38    43    47    70.00000  123.01800
   43    38    39    35.00000  120.00000
   43    47    48    35.00000  120.00000
   43    47    52    70.00000  123.01800
   47    43    44    35.00000  120.00000
   47    52    53    35.00000  120.00000
   47    52    56    70.00000  124.00000
   52    47    48    35.00000  120.00000
   52    56    57    35.00000  109.50000
   52    56    60    70.00000  112.02700
   52    56    63    90.00000  110.39200
   56    52    53    35.00000  117.00000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    68    58.35000  112.70000
   56    63    64    55.00000  108.50000
   60    56    57    37.50000  110.70000
   60    68    69    37.50000  110.70000
   60    68    70    37.50000  110.70000
   60    68    74    58.35000  112.70000
   62    60    61    33.00000  107.80000
   68    60    61    37.50000  110.70000
   68    60    62    37.50000  110.70000
   68    74    75    37.50000  110.70000
   68    74    76    37.50000  110.70000
   68    74    80    70.00000  109.69300
   70    68    69    33.00000  107.80000
   74    68    69    37.50000  110.70000
   74    68    70    37.50000  110.70000
   74    80    81    70.00000  117.00000
   74    80    82    70.00000  117.00000
   76    74    75    33.00000  107.80000
   80    74    75    35.00000  109.50000
   80    74    76    35.00000  109.50000
   82    80    81    80.00000  126.00000
   63    56    57    35.00000  109.50000
   63    56    60    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    45    46    80.00000  120.40000
   40    45    49    70.00000  116.00000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    49    50    35.00000  109.50000
   45    49    51    35.00000  109.50000
   45    49    54    70.00000  109.06800
   49    45    46    80.00000  120.40000
   49    54    55    35.00000  117.00000
   49    54    58    70.00000  124.00000
   51    49    50    33.00000  107.80000
   54    49    50    35.00000  109.50000
   54    49    51    35.00000  109.50000
   54    58    59    35.00000  120.00000
   54    58    65    70.00000  124.00000
   58    54    55    35.00000  120.00000
   58    65    66    35.00000  109.50000
   58    65    67    35.00000  109.50000
   58    65    71    70.00000  112.02700
   65    58    59    35.00000  117.00000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    77    58.35000  112.70000
   67    65    66    33.00000  107.80000
   71    65    66    37.50000  110.70000
   71    65    67    37.50000  110.70000
   71    77    78    37.50000  110.70000
   71    77    79    37.50000  110.70000
   71    77    83    58.35000  112.70000
   73    71    72    33.00000  107.80000
   77    71    72    37.50000  110.70000
   77    71    73    37.50000  110.70000
   77    83    84    37.50000  110.70000
   77    83    85    37.50000  110.70000
   77    83    86    58.35000  112.70000
   79    77    78    33.00000  107.80000
   83    77    78    37.50000  110.70000
   83    77    79    37.50000  110.70000
   83    86    87    37.50000  110.70000
   83    86    88    37.50000  110.70000
   83    86    89    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    37.50000  110.70000
   86    83    85    37.50000  110.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    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    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    47   7.00000 -1.0 2.0
   33    40    45    46   0.30150 -1.0 2.0
   33    40    45    49   0.60050  1.0 1.0
   33    40    45    49   0.05600 -1.0 2.0
   33    40    45    49   0.26150  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    45  -0.11250  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45  -0.98800  1.0 1.0
   38    33    40    45   0.48800 -1.0 2.0
   38    33    40    45   0.76800  1.0 3.0
   38    43    47    48  -0.18600  1.0 3.0
   38    43    47    52   0.28850  1.0 1.0
   38    43    47    52   2.61350 -1.0 2.0
   38    43    47    52   0.78400  1.0 3.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    47   7.00000 -1.0 2.0
   43    47    52    53   7.00000 -1.0 2.0
   43    47    52    56   7.00000 -1.0 2.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    52  -0.18600  1.0 3.0
   47    52    56    57   0.00000  1.0 1.0
   47    52    56    60   0.09850  1.0 1.0
   47    52    56    60   0.15250 -1.0 2.0
   47    52    56    60  -0.50650  1.0 3.0
   47    52    56    63   0.67800  1.0 1.0
   47    52    56    63   0.47050 -1.0 2.0
   47    52    56    63  -0.62500  1.0 3.0
   48    47    52    53   7.00000 -1.0 2.0
   48    47    52    56   7.00000 -1.0 2.0
   52    56    60    61   0.15000  1.0 3.0
   52    56    60    62   0.15000  1.0 3.0
   52    56    60    68   0.34400  1.0 1.0
   52    56    60    68   0.09450 -1.0 2.0
   52    56    60    68   0.11100  1.0 3.0
   52    56    63    64  -0.07800  1.0 1.0
   52    56    63    64  -0.21500 -1.0 2.0
   52    56    63    64  -0.03150  1.0 3.0
   53    52    56    57   0.33100  1.0 3.0
   53    52    56    60   0.00000  1.0 1.0
   53    52    56    63   0.00000  1.0 1.0
   56    60    68    69   0.15000  1.0 3.0
   56    60    68    70   0.15000  1.0 3.0
   56    60    68    74   0.56750  1.0 1.0
   56    60    68    74  -0.07550 -1.0 2.0
   56    60    68    74   0.20000  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    62   0.15000  1.0 3.0
   57    56    60    68   0.15000  1.0 3.0
   57    56    63    64   0.19450  1.0 3.0
   60    56    63    64  -0.11600  1.0 1.0
   60    56    63    64  -0.09450 -1.0 2.0
   60    56    63    64   0.21250  1.0 3.0
   60    68    74    75   0.15000  1.0 3.0
   60    68    74    76   0.15000  1.0 3.0
   60    68    74    80  -1.63150  1.0 1.0
   60    68    74    80  -0.43550 -1.0 2.0
   60    68    74    80   0.24500  1.0 3.0
   61    60    68    69   0.15000  1.0 3.0
   61    60    68    70   0.15000  1.0 3.0
   61    60    68    74   0.15000  1.0 3.0
   62    60    68    69   0.15000  1.0 3.0
   62    60    68    70   0.15000  1.0 3.0
   62    60    68    74   0.15000  1.0 3.0
   68    74    80    81   0.41150 -1.0 2.0
   68    74    80    82   0.41150 -1.0 2.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    76   0.15000  1.0 3.0
   69    68    74    80  -0.11250  1.0 3.0
   70    68    74    75   0.15000  1.0 3.0
   70    68    74    76   0.15000  1.0 3.0
   70    68    74    80  -0.11250  1.0 3.0
   75    74    80    81   0.00000  1.0 1.0
   75    74    80    82   0.00000  1.0 1.0
   76    74    80    81   0.00000  1.0 1.0
   76    74    80    82   0.00000  1.0 1.0
   63    56    60    61   0.23400  1.0 3.0
   63    56    60    62   0.23400  1.0 3.0
   63    56    60    68   0.86500  1.0 1.0
   63    56    60    68  -0.17500 -1.0 2.0
   63    56    60    68   0.20800  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   40    45    49    50   0.00000  1.0 1.0
   40    45    49    51   0.00000  1.0 1.0
   40    45    49    54   0.65300  1.0 1.0
   40    45    49    54  -0.03850 -1.0 2.0
   40    45    49    54   0.33900  1.0 3.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    49   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    49   0.00000  1.0 1.0
   45    49    54    55   0.00000  1.0 1.0
   45    49    54    58  -0.51250  1.0 1.0
   45    49    54    58  -0.88800 -1.0 2.0
   45    49    54    58   0.08850  1.0 3.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    51   0.00000  1.0 1.0
   46    45    49    54   0.30150 -1.0 2.0
   49    54    58    59   7.00000 -1.0 2.0
   49    54    58    65   7.00000 -1.0 2.0
   50    49    54    55   0.33100  1.0 3.0
   50    49    54    58   0.00000  1.0 1.0
   51    49    54    55   0.33100  1.0 3.0
   51    49    54    58   0.00000  1.0 1.0
   54    58    65    66   0.00000  1.0 1.0
   54    58    65    67   0.00000  1.0 1.0
   54    58    65    71   0.09850  1.0 1.0
   54    58    65    71   0.15250 -1.0 2.0
   54    58    65    71  -0.50650  1.0 3.0
   55    54    58    59   7.00000 -1.0 2.0
   55    54    58    65   7.00000 -1.0 2.0
   58    65    71    72   0.15000  1.0 3.0
   58    65    71    73   0.15000  1.0 3.0
   58    65    71    77   0.34400  1.0 1.0
   58    65    71    77   0.09450 -1.0 2.0
   58    65    71    77   0.11100  1.0 3.0
   59    58    65    66   0.33100  1.0 3.0
   59    58    65    67   0.33100  1.0 3.0
   59    58    65    71   0.00000  1.0 1.0
   65    71    77    78   0.15000  1.0 3.0
   65    71    77    79   0.15000  1.0 3.0
   65    71    77    83   0.56750  1.0 1.0
   65    71    77    83  -0.07550 -1.0 2.0
   65    71    77    83   0.20000  1.0 3.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    73   0.15000  1.0 3.0
   66    65    71    77   0.15000  1.0 3.0
   67    65    71    72   0.15000  1.0 3.0
   67    65    71    73   0.15000  1.0 3.0
   67    65    71    77   0.15000  1.0 3.0
   71    77    83    84   0.15000  1.0 3.0
   71    77    83    85   0.15000  1.0 3.0
   71    77    83    86   0.56750  1.0 1.0
   71    77    83    86  -0.07550 -1.0 2.0
   71    77    83    86   0.20000  1.0 3.0
   72    71    77    78   0.15000  1.0 3.0
   72    71    77    79   0.15000  1.0 3.0
   72    71    77    83   0.15000  1.0 3.0
   73    71    77    78   0.15000  1.0 3.0
   73    71    77    79   0.15000  1.0 3.0
   73    71    77    83   0.15000  1.0 3.0
   77    83    86    87   0.15000  1.0 3.0
   77    83    86    88   0.15000  1.0 3.0
   77    83    86    89   0.15000  1.0 3.0
   78    77    83    84   0.15000  1.0 3.0
   78    77    83    85   0.15000  1.0 3.0
   78    77    83    86   0.15000  1.0 3.0
   79    77    83    84   0.15000  1.0 3.0
   79    77    83    85   0.15000  1.0 3.0
   79    77    83    86   0.15000  1.0 3.0
   84    83    86    87   0.15000  1.0 3.0
   84    83    86    88   0.15000  1.0 3.0
   84    83    86    89   0.15000  1.0 3.0
   85    83    86    87   0.15000  1.0 3.0
   85    83    86    88   0.15000  1.0 3.0
   85    83    86    89   0.15000  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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    43  15.00000 -1.0 2.0
   47    44    43    38  15.00000 -1.0 2.0
   43    48    47    52  15.00000 -1.0 2.0
   56    53    52    47  15.00000 -1.0 2.0
   81    74    80    82  10.50000 -1.0 2.0
   40    49    45    46  10.50000 -1.0 2.0
   49    55    54    58  15.00000 -1.0 2.0
   65    59    58    54  15.00000 -1.0 2.0
END
