* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    157    247     449
    1     0 S   NP   _N1_     1    28.76745    95.41811   -19.78795
    2     1 S   H    _HN1     2     1.02781    81.81030   -91.11992
    3     1 S   H    _H1_     3     1.02958    89.35734    17.47517
    4     1 S   H    _H2_     4     1.02837    38.71316   136.40422
    5     1 S   CT   _CA1     5     1.50101   149.01787   148.74269
    6     5 S   HC   _HA1     6     1.09569   105.28120    51.06277
    7     5 S   CO3  _C1_     7     1.53828   112.27131   -69.26542
    8     7 S   O2Z  _O11     8     1.26369   115.02501   -46.35604
    9     7 S   O2Z  _O12     9     1.26230   114.95648   132.88437
   10     5 S   CT   _CB1    10     1.53100   107.42742   169.03508
   11    10 S   HC   HB11    11     1.09818   109.51693   -49.97373
   12    10 S   HC   HB12    12     1.09823   110.37493    66.64721
   13    10 S   CT   _CG1    13     1.52969   112.56197  -171.04797
   14    13 S   HC   HG11    14     1.09491   110.36174   -59.64241
   15    13 S   HC   HG12    15     1.09635   110.09456    59.39038
   16    13 S   C    _CD1    16     1.51796   112.23370   179.64173
   17    16 S   O    _OE1    17     1.22727   123.22140    -9.90748
   18    16 S   N    _N2_    18     1.38534   111.69103   170.77124
   19    18 S   H    _HN2    19     1.01747   118.96792    -0.16071
   20    18 S   CT1  _CA2    20     1.46211   123.59578  -179.46405
   21    20 S   HC   _HA2    21     1.09728   109.48365    -3.89108
   22    20 S   C    _C2_    22     1.53447   108.58981  -119.69513
   23    22 S   O    _O2_    23     1.23042   122.12963  -145.93236
   24    20 S   CT   _CB2    32     1.53588   111.17253   118.07939
   25    24 S   HC   HB21    33     1.09424   108.67681    55.10836
   26    24 S   HC   HB22    34     1.09367   110.17773   174.21606
   27    22 S   N    _N3_    24     1.38474   113.54482    41.55112
   28    27 S   H    _HN3    25     1.01500   118.96105    -0.81829
   29    24 S   S    _SG2    35     1.82885   111.04872   -65.15848
   30    27 S   CT   _CA3    26     1.45453   123.43961   175.09719
   31    30 S   HC   HA31    27     1.09524   109.22621    24.72047
   32    30 S   HC   HA32    28     1.09496   107.12324   141.70706
   33    29 S   CT   _C16    36     1.92534   103.46183  -177.78645
   34    30 S   CO3  _C3_    29     1.52927   113.12542   -98.76006
   35    34 S   O2Z  _O31    30     1.26404   115.40947   -44.84854
   36    34 S   O2Z  _O32    31     1.26361   114.99208   136.09501
   37    33 S   CT   _C7_    37     1.53206   111.65307   -37.07452
   38    37 S   HC   _H26    38     1.09771   109.70808   168.31389
   39    37 S   HC   _H27    39     1.09329   112.70606    52.34794
   40    33 S   C3T  _C11    53     1.51464   100.87407    81.15271
   41    40 S   HC   _H32    54     1.08244   114.74269   -56.41211
   42    37 S   CO4  _C4_    40     1.51210   113.50975   -72.36115
   43    42 S   O    _O18    41     1.22885   120.93097   178.62200
   44    71 S   O3T  _O21    55     1.44013   114.11438   -81.64057
   45    42 S   C3T  _C13    42     1.50475   117.88333    -2.47338
   46    45 S   CT   _C8_    43     1.52665   120.56541   -28.77244
   47    46 S   HC   _H28    44     1.09582   109.00761   130.35695
   48    46 S   HC   _H29    45     1.09795   109.17820  -114.59534
   49    45 S   C3T  _C14    71     1.55258   118.25105   131.46635
   50    33 S   CT   _C15    46     1.59200   109.94919  -158.72507
   51    45 S   O3T  _O22    72     1.44257   112.31234  -165.23733
   52    49 S   CO4  _C5_    73     1.48551   118.12822    -2.38663
   53    52 S   O    _O19    74     1.22486   121.20197   -87.83679
   54    52 S   HC   _H25    75     1.10260   116.69540    92.85014
   55    49 S   CT   _C19    76     1.50304   121.17804  -162.14510
   56    55 S   HC   _H40    77     1.09488   112.51267   -41.26351
   57    55 S   HC   _H41    78     1.09497   110.24210  -160.83509
   58    55 S   HC   _H42    79     1.09412   110.15001    79.82706
   59    50 S   CT   _C9_    47     1.58163   109.60498   -65.42271
   60    59 S   HC   _H30    48     1.09766   107.12445    57.21299
   61    50 S   CT   _C20    67     1.56100   113.01561   171.35384
   62    61 S   HC   _H43    68     1.09002   113.55348    55.69254
   63    61 S   HC   _H44    69     1.09457   112.37774   -65.51522
   64    61 S   HC   _H45    70     1.09467   111.38882   176.64077
   65    59 S   CT   _C12    49     1.55179   113.56527   -59.28535
   66    65 S   HC   _H33    50     1.09862   106.77731   162.50760
   67    59 S   CT   _C18    63     1.53892   114.39290   172.94768
   68    67 S   HC   _H37    64     1.09318   112.76077    63.66094
   69    67 S   HC   _H38    65     1.09391   111.48671   -58.17855
   70    67 S   HC   _H39    66     1.09607   110.07191  -176.61332
   71    65 S   C3T  _C10    51     1.50107   113.30732    43.11090
   72    71 S   HC   _H31    52     1.08154   113.57821   140.64231
   73    65 S   OS   _O23    56     1.44537   109.96314   -80.40892
   74    73 S   CO4  _C6_    57     1.36231   117.35144  -156.81760
   75    74 S   O    _O20    58     1.22310   126.41967     0.22206
   76    74 S   CT   _C17    59     1.49823   109.44165  -179.70195
   77    76 S   HC   _H34    60     1.09292   109.82329   -60.83915
   78    76 S   HC   _H35    61     1.09376   109.37181  -179.89532
   79    76 S   HC   _H36    62     1.09293   109.80662    61.04184
  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  13   5   4   3
  23   2   1   1  15   6   5  12   5  10   4   7  15  15   6   5
   9  15   7   6   2   1   3   2   1   1  15   9   5   2   1   1
  11   5   5   2   1   1   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    46    50    59    71    40    41    44    61  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    45    46    47    48    50    59    60    65    71    72    40    41    44    67    61    62    63    64  
   35    36  
   36  
    0  
   38    39    42    43    45    46    50    59    71    40    41    44    61    49    51  
   39    42    43    45    50    40  
   42    43    45    50    40  
   41    44    73    61    42    46    50    59    65    66    71    72  
   44    50    65    71    72  
   43    45    46    47    48    50    49    51    52    55  
   45    46    49    51  
   73    50    59    65    66    71    72  
   46    47    48    50    59    61    49    51    52    53    54    55    56    57    58  
   47    48    50    59    60    65    67    61    62    63    64    49    51    52    55  
   48    50    59    61    49    51  
   50    59    61    49    51  
   51    52    53    54    55    56    57    58    50  
   59    60    65    66    71    73    67    68    69    70    61    62    63    64    51  
   52    53    54    55    56    57    58  
   53    54    55    56    57    58  
   54    55  
   55  
   56    57    58  
   57    58  
   58  
    0  
   60    65    66    71    72    73    74    67    68    69    70    61    62    63    64  
   65    66    71    73    67    68    69    70    61  
   62    63    64    65    67  
   63    64  
   64  
    0  
   66    71    72    73    74    75    76    67    68    69    70  
   71    72    73    74    67  
   68    69    70    71    73  
   69    70  
   70  
    0  
   72    73    74  
   73  
   74    75    76    77    78    79  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   52   3.7500   0.1050   0.367200   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   54   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660  -0.180000   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   2.4200   0.0150   0.060000   1.3810   1.2100   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   268.000  1.529
   33    50   268.000  1.529
   33    40   275.000  1.510
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   317.000  1.522
   42    43   570.000  1.229
   42    45   290.000  1.496
   45    46   275.000  1.510
   45    49   260.000  1.509
   45    51   335.000  1.432
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    50   268.000  1.529
   50    59   268.000  1.529
   50    61   268.000  1.529
   59    60   340.000  1.090
   59    65   268.000  1.529
   59    67   268.000  1.529
   65    66   340.000  1.090
   65    71   275.000  1.510
   65    73   320.000  1.410
   71    72   340.000  1.088
   71    40   260.000  1.509
   71    44   335.000  1.432
   40    41   340.000  1.088
   40    44   335.000  1.432
   73    74   214.000  1.327
   74    75   570.000  1.229
   74    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   49    51   335.000  1.432
   49    52   290.000  1.496
   49    55   275.000  1.510
   52    53   570.000  1.229
   52    54   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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  111.63000
   29    33    50    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    63.00000  111.10000
   33    50    46    58.35000  112.70000
   33    50    59    58.35000  112.70000
   33    50    61    58.35000  112.70000
   33    40    71    60.00000  120.94000
   33    40    41    40.00000  115.04500
   33    40    44    80.00000  116.47100
   37    42    43    80.00000  120.40000
   37    42    45    65.00000  117.32000
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    45    46    63.00000  111.10000
   42    45    49    65.00000  117.18000
   42    45    51    80.00000  114.91000
   45    42    43    75.00000  121.36600
   45    46    47    45.00000  109.38400
   45    46    48    45.00000  109.38400
   45    46    50    70.00000  112.37300
   45    49    51    15.00000   60.43100
   45    49    52    65.00000  117.18000
   45    49    55    60.00000  120.94000
   45    51    49    15.00000   59.14900
   46    50    59    58.35000  112.70000
   46    50    61    58.35000  112.70000
   48    46    47    33.00000  107.80000
   50    33    37    58.35000  112.70000
   50    46    47    37.50000  110.70000
   50    46    48    37.50000  110.70000
   50    59    60    37.50000  110.70000
   50    59    65    58.35000  112.70000
   50    59    67    58.35000  112.70000
   50    61    62    37.50000  110.70000
   50    61    63    37.50000  110.70000
   50    61    64    37.50000  110.70000
   59    65    66    37.50000  110.70000
   59    65    71    70.00000  112.37300
   59    65    73    50.00000  109.50000
   59    67    68    37.50000  110.70000
   59    67    69    37.50000  110.70000
   59    67    70    37.50000  110.70000
   65    59    60    37.50000  110.70000
   65    71    72    40.00000  115.04500
   65    71    40    60.00000  120.94000
   65    71    44    80.00000  116.47100
   65    73    74    83.00000  116.90000
   71    65    66    45.00000  109.38400
   71    40    41    37.50000  117.20000
   71    40    44    15.00000   60.43100
   71    44    40    15.00000   59.14900
   40    33    37    70.00000  112.37300
   40    33    50    70.00000  112.37300
   40    71    72    37.50000  117.20000
   44    71    72    50.00000  114.27700
   44    71    40    15.00000   60.43100
   44    40    41    50.00000  114.27700
   73    65    66    35.00000  109.50000
   73    65    71    50.00000  109.50000
   73    74    75    83.00000  123.40000
   73    74    76    81.00000  111.40000
   74    76    77    35.00000  109.50000
   74    76    78    35.00000  109.50000
   74    76    79    35.00000  109.50000
   76    74    75    80.00000  120.40000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   67    59    60    37.50000  110.70000
   67    59    65    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   61    50    59    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   49    45    46    60.00000  120.94000
   49    52    53    75.00000  121.36600
   49    52    54    40.00000  115.82000
   49    55    56    45.00000  109.38400
   49    55    57    45.00000  109.38400
   49    55    58    45.00000  109.38400
   51    45    46    80.00000  116.47100
   51    45    49    15.00000   60.43100
   52    49    51    80.00000  114.91000
   54    52    53    35.00000  123.00000
   55    49    51    80.00000  116.47100
   55    49    52    63.00000  111.10000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.56750  1.0 1.0
   29    33    37    42  -0.07550 -1.0 2.0
   29    33    37    42   0.20000  1.0 3.0
   29    33    50    46   0.44750  1.0 1.0
   29    33    50    46  -0.17800 -1.0 2.0
   29    33    50    46   0.20200  1.0 3.0
   29    33    50    59   0.44750  1.0 1.0
   29    33    50    59  -0.17800 -1.0 2.0
   29    33    50    59   0.20200  1.0 3.0
   29    33    50    61   0.44750  1.0 1.0
   29    33    50    61  -0.17800 -1.0 2.0
   29    33    50    61   0.20200  1.0 3.0
   29    33    40    71   0.44750  1.0 1.0
   29    33    40    71  -0.17800 -1.0 2.0
   29    33    40    71   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    37    42    43   0.30150 -1.0 2.0
   33    37    42    45   0.60050  1.0 1.0
   33    37    42    45   0.05600 -1.0 2.0
   33    37    42    45   0.26150  1.0 3.0
   33    50    59    60   0.15000  1.0 3.0
   33    50    59    65   0.56750  1.0 1.0
   33    50    59    65  -0.07550 -1.0 2.0
   33    50    59    65   0.20000  1.0 3.0
   33    50    59    67   0.56750  1.0 1.0
   33    50    59    67  -0.07550 -1.0 2.0
   33    50    59    67   0.20000  1.0 3.0
   33    50    61    62   0.15000  1.0 3.0
   33    50    61    63   0.15000  1.0 3.0
   33    50    61    64   0.15000  1.0 3.0
   33    40   -44    71   0.06250  1.0 1.0
   33    40   -44    71  -0.01100 -1.0 2.0
   33    40   -44    71   0.28050  1.0 3.0
   37    33    50    46   0.56750  1.0 1.0
   37    33    50    46  -0.07550 -1.0 2.0
   37    33    50    46   0.20000  1.0 3.0
   37    33    50    59   0.56750  1.0 1.0
   37    33    50    59  -0.07550 -1.0 2.0
   37    33    50    59   0.20000  1.0 3.0
   37    33    50    61   0.56750  1.0 1.0
   37    33    50    61  -0.07550 -1.0 2.0
   37    33    50    61   0.20000  1.0 3.0
   37    33    40    71   0.07850  1.0 1.0
   37    33    40    71  -0.03950 -1.0 2.0
   37    33    40    71   0.67350  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    44   0.02550  1.0 1.0
   37    33    40    44  -0.02600 -1.0 2.0
   37    33    40    44   1.20400  1.0 3.0
   37    42   -45    46   0.60050  1.0 1.0
   37    42   -45    46   0.05600 -1.0 2.0
   37    42   -45    46   0.26150  1.0 3.0
   37    42    45    49   0.60050  1.0 1.0
   37    42    45    49   0.05600 -1.0 2.0
   37    42    45    49   0.26150  1.0 3.0
   37    42    45    51   0.55300  1.0 1.0
   37    42    45    51   1.25850 -1.0 2.0
   37    42    45    51  -0.23600  1.0 3.0
   38    37    42    43   0.00000  1.0 1.0
   38    37    42    45   0.00000  1.0 1.0
   39    37    42    43   0.00000  1.0 1.0
   39    37    42    45   0.00000  1.0 1.0
   42    45    46    47  -0.11250  1.0 3.0
   42    45    46    48  -0.11250  1.0 3.0
   42    45    46    50  -0.95700  1.0 1.0
   42    45    46    50  -0.18200 -1.0 2.0
   42    45    46    50   0.29450  1.0 3.0
   42    45   -49    51  -0.09450  1.0 1.0
   42    45   -49    51  -1.12950 -1.0 2.0
   42    45   -49    51   0.54000  1.0 3.0
   42    45    49    52   0.11950  1.0 1.0
   42    45    49    52   0.20300 -1.0 2.0
   42    45    49    52  -0.70800  1.0 3.0
   42    45    49    55  -0.95700  1.0 1.0
   42    45    49    55  -0.18200 -1.0 2.0
   42    45    49    55   0.29450  1.0 3.0
   42    45   -51    49  -1.11000  1.0 1.0
   42    45   -51    49   0.50250 -1.0 2.0
   42    45   -51    49   0.47450  1.0 3.0
   43    42    45    46   0.30150 -1.0 2.0
   43    42    45    49   0.30150 -1.0 2.0
   43    42    45    51   0.30150 -1.0 2.0
   45    46   -50    33   0.47050  1.0 1.0
   45    46   -50    33   0.03900 -1.0 2.0
   45    46   -50    33   0.20100  1.0 3.0
   45    46    50    59   0.47050  1.0 1.0
   45    46    50    59   0.03900 -1.0 2.0
   45    46    50    59   0.20100  1.0 3.0
   45    46    50    61   0.47050  1.0 1.0
   45    46    50    61   0.03900 -1.0 2.0
   45    46    50    61   0.20100  1.0 3.0
   45    49    52    53   0.30150 -1.0 2.0
   45    49    52    54   0.74550  1.0 1.0
   45    49    52    54  -0.00500 -1.0 2.0
   45    49    55    56   0.15000  1.0 3.0
   45    49    55    57   0.15000  1.0 3.0
   45    49    55    58   0.15000  1.0 3.0
   46    45   -49    51   0.02550  1.0 1.0
   46    45   -49    51  -0.02600 -1.0 2.0
   46    45   -49    51   1.20400  1.0 3.0
   46    45    49    52  -0.95700  1.0 1.0
   46    45    49    52  -0.18200 -1.0 2.0
   46    45    49    52   0.29450  1.0 3.0
   46    45    49    55   0.56750  1.0 1.0
   46    45    49    55  -0.07550 -1.0 2.0
   46    45    49    55   0.20000  1.0 3.0
   46    45   -51    49   0.06250  1.0 1.0
   46    45   -51    49  -0.01100 -1.0 2.0
   46    45   -51    49   0.28050  1.0 3.0
   46    50    59    60   0.15000  1.0 3.0
   46    50    59    65   0.56750  1.0 1.0
   46    50    59    65  -0.07550 -1.0 2.0
   46    50    59    65   0.20000  1.0 3.0
   46    50    59    67   0.56750  1.0 1.0
   46    50    59    67  -0.07550 -1.0 2.0
   46    50    59    67   0.20000  1.0 3.0
   46    50    61    62   0.15000  1.0 3.0
   46    50    61    63   0.15000  1.0 3.0
   46    50    61    64   0.15000  1.0 3.0
   47    46    50    33   0.15000  1.0 3.0
   47    46    50    59   0.15000  1.0 3.0
   47    46    50    61   0.15000  1.0 3.0
   48    46    50    33   0.15000  1.0 3.0
   48    46    50    59   0.15000  1.0 3.0
   48    46    50    61   0.15000  1.0 3.0
   50    33    37    38   0.15000  1.0 3.0
   50    33    37    39   0.15000  1.0 3.0
   50    33   -37    42  -0.95700  1.0 1.0
   50    33   -37    42  -0.18200 -1.0 2.0
   50    33   -37    42   0.29450  1.0 3.0
   50    33    40    71   0.07850  1.0 1.0
   50    33    40    71  -0.03950 -1.0 2.0
   50    33    40    71   0.67350  1.0 3.0
   50    33    40    41   0.15000  1.0 3.0
   50    33    40    44   0.02550  1.0 1.0
   50    33    40    44  -0.02600 -1.0 2.0
   50    33    40    44   1.20400  1.0 3.0
   50    59    65    66   0.15000  1.0 3.0
   50    59   -65    71   0.47050  1.0 1.0
   50    59   -65    71   0.03900 -1.0 2.0
   50    59   -65    71   0.20100  1.0 3.0
   50    59    65    73   0.62750  1.0 1.0
   50    59    65    73  -0.30950 -1.0 2.0
   50    59    65    73   0.27300  1.0 3.0
   50    59    67    68   0.15000  1.0 3.0
   50    59    67    69   0.15000  1.0 3.0
   50    59    67    70   0.15000  1.0 3.0
   59    50    61    62   0.15000  1.0 3.0
   59    50    61    63   0.15000  1.0 3.0
   59    50    61    64   0.15000  1.0 3.0
   59    65    71    72   0.15000  1.0 3.0
   59    65    71    40   0.07850  1.0 1.0
   59    65    71    40  -0.03950 -1.0 2.0
   59    65    71    40   0.67350  1.0 3.0
   59    65    71    44   0.02550  1.0 1.0
   59    65    71    44  -0.02600 -1.0 2.0
   59    65    71    44   1.20400  1.0 3.0
   59    65    73    74  -0.25900  1.0 1.0
   59    65    73    74  -0.47000 -1.0 2.0
   59    65    73    74   0.11750  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    71   0.15000  1.0 3.0
   60    59    65    73   0.23400  1.0 3.0
   60    59    67    68   0.15000  1.0 3.0
   60    59    67    69   0.15000  1.0 3.0
   60    59    67    70   0.15000  1.0 3.0
   65    59    67    68   0.15000  1.0 3.0
   65    59    67    69   0.15000  1.0 3.0
   65    59    67    70   0.15000  1.0 3.0
   65    71   -40    33   0.56750  1.0 1.0
   65    71   -40    33  -0.07550 -1.0 2.0
   65    71   -40    33   0.20000  1.0 3.0
   65    71    40    41   0.15000  1.0 3.0
   65    71   -40    44   0.02550  1.0 1.0
   65    71   -40    44  -0.02600 -1.0 2.0
   65    71   -40    44   1.20400  1.0 3.0
   65    71   -44    40   0.06250  1.0 1.0
   65    71   -44    40  -0.01100 -1.0 2.0
   65    71   -44    40   0.28050  1.0 3.0
   65    73    74    75   3.00000 -1.0 2.0
   65    73    74    76   1.63150  1.0 1.0
   65    73    74    76   2.92000 -1.0 2.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    40   0.15000  1.0 3.0
   66    65    71    44   0.23400  1.0 3.0
   66    65    73    74   0.08050  1.0 3.0
   71    65    73    74  -0.25900  1.0 1.0
   71    65    73    74  -0.47000 -1.0 2.0
   71    65    73    74   0.11750  1.0 3.0
   72    71    40    33   0.15000  1.0 3.0
   72    71    40    41   0.15000  1.0 3.0
   72    71   -40    44   0.23400  1.0 3.0
   72    71   -44    40   0.36800  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    42  -0.95700  1.0 1.0
   40    33    37    42  -0.18200 -1.0 2.0
   40    33    37    42   0.29450  1.0 3.0
   40    33    50    46   0.47050  1.0 1.0
   40    33    50    46   0.03900 -1.0 2.0
   40    33    50    46   0.20100  1.0 3.0
   40    33   -50    59   0.47050  1.0 1.0
   40    33   -50    59   0.03900 -1.0 2.0
   40    33   -50    59   0.20100  1.0 3.0
   40    33    50    61   0.47050  1.0 1.0
   40    33    50    61   0.03900 -1.0 2.0
   40    33    50    61   0.20100  1.0 3.0
   41    40   -44    71   0.36800  1.0 3.0
   44    71   -40    33   0.02550  1.0 1.0
   44    71   -40    33  -0.02600 -1.0 2.0
   44    71   -40    33   1.20400  1.0 3.0
   44    71   -40    41   0.23400  1.0 3.0
   73    65    71    72   0.23400  1.0 3.0
   73    65    71    40  -0.26800  1.0 1.0
   73    65    71    40   0.69150 -1.0 2.0
   73    65    71    40  -0.48750  1.0 3.0
   73    65    71    44   1.11900  1.0 1.0
   73    65    71    44  -1.16350 -1.0 2.0
   73    65    71    44  -0.34150  1.0 3.0
   73    74    76    77   0.00000  1.0 1.0
   73    74    76    78   0.00000  1.0 1.0
   73    74    76    79   0.00000  1.0 1.0
   75    74    76    77   0.00000  1.0 1.0
   75    74    76    78   0.00000  1.0 1.0
   75    74    76    79   0.00000  1.0 1.0
   67    59    65    66   0.15000  1.0 3.0
   67    59    65    71   0.47050  1.0 1.0
   67    59    65    71   0.03900 -1.0 2.0
   67    59    65    71   0.20100  1.0 3.0
   67    59    65    73   0.62750  1.0 1.0
   67    59    65    73  -0.30950 -1.0 2.0
   67    59    65    73   0.27300  1.0 3.0
   61    50    59    60   0.15000  1.0 3.0
   61    50    59    65   0.56750  1.0 1.0
   61    50    59    65  -0.07550 -1.0 2.0
   61    50    59    65   0.20000  1.0 3.0
   61    50    59    67   0.56750  1.0 1.0
   61    50    59    67  -0.07550 -1.0 2.0
   61    50    59    67   0.20000  1.0 3.0
   49    45    46    47   0.15000  1.0 3.0
   49    45    46    48   0.15000  1.0 3.0
   49    45    46    50   0.07850  1.0 1.0
   49    45    46    50  -0.03950 -1.0 2.0
   49    45    46    50   0.67350  1.0 3.0
   51    45    46    47   0.23400  1.0 3.0
   51    45    46    48   0.23400  1.0 3.0
   51    45    46    50   0.02550  1.0 1.0
   51    45    46    50  -0.02600 -1.0 2.0
   51    45    46    50   1.20400  1.0 3.0
   51    45   -49    52  -0.09450  1.0 1.0
   51    45   -49    52  -1.12950 -1.0 2.0
   51    45   -49    52   0.54000  1.0 3.0
   51    45   -49    55   0.02550  1.0 1.0
   51    45   -49    55  -0.02600 -1.0 2.0
   51    45   -49    55   1.20400  1.0 3.0
   51    49    52    53   0.30150 -1.0 2.0
   51    49    52    54   0.00000  1.0 1.0
   51    49    55    56   0.23400  1.0 3.0
   51    49    55    57   0.23400  1.0 3.0
   51    49    55    58   0.23400  1.0 3.0
   52    49   -51    45  -1.11000  1.0 1.0
   52    49   -51    45   0.50250 -1.0 2.0
   52    49   -51    45   0.47450  1.0 3.0
   52    49    55    56  -0.11250  1.0 3.0
   52    49    55    57  -0.11250  1.0 3.0
   52    49    55    58  -0.11250  1.0 3.0
   55    49   -51    45   0.06250  1.0 1.0
   55    49   -51    45  -0.01100 -1.0 2.0
   55    49   -51    45   0.28050  1.0 3.0
   55    49    52    53   0.30150 -1.0 2.0
   55    49    52    54   0.74550  1.0 1.0
   55    49    52    54  -0.00500 -1.0 2.0
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
   36    30    34    35  10.50000 -1.0 2.0
   37    45    42    43  10.50000 -1.0 2.0
   73    76    74    75  10.50000 -1.0 2.0
   49    54    52    53  10.50000 -1.0 2.0
END
