* LIGAND DATABASE FILE (OPLS2005)
*
001      88    89    169    260     502
    1     0 S   NP   _N1_     1    28.65597    91.96496   -22.03083
    2     1 S   H    _HN1     2     1.02915    94.64796    26.72494
    3     1 S   H    _H1_     3     1.02830    19.97354   156.28033
    4     1 S   H    _H2_     4     1.02778    98.11219   -82.53930
    5     1 S   CT   _CA1     5     1.50077   130.61699   148.61693
    6     5 S   HC   _HA1     6     1.09572   105.24378    61.38659
    7     5 S   CO3  _C1_     7     1.53758   112.37415   -58.85159
    8     7 S   O2Z  _O11     8     1.26346   115.01379   -44.36232
    9     7 S   O2Z  _O12     9     1.26236   114.91254   134.81202
   10     5 S   CT   _CB1    10     1.53041   107.43704   179.26912
   11    10 S   HC   HB11    11     1.09823   109.31966   -51.00265
   12    10 S   HC   HB12    12     1.09732   110.42932    65.52961
   13    10 S   CT   _CG1    13     1.52997   112.74421  -172.25714
   14    13 S   HC   HG11    14     1.09592   110.45369   -64.12330
   15    13 S   HC   HG12    15     1.09646   110.02526    55.17533
   16    13 S   C    _CD1    16     1.51768   112.17145   175.44091
   17    16 S   O    _OE1    17     1.22688   123.16164    -2.95353
   18    16 S   N    _N2_    18     1.38599   111.75064   177.53232
   19    18 S   H    _HN2    19     1.01581   118.97687     1.77542
   20    18 S   CT1  _CA2    20     1.46192   123.44455   179.58222
   21    20 S   HC   _HA2    21     1.09578   109.19798    -1.56710
   22    20 S   C    _C2_    22     1.53433   108.64162  -116.81125
   23    22 S   O    _O2_    23     1.23031   122.16265  -145.07159
   24    20 S   CT   _CB2    32     1.53350   111.41593   120.67438
   25    24 S   HC   HB21    33     1.09642   109.76031    55.93244
   26    24 S   HC   HB22    34     1.09549   111.54985   173.88673
   27    22 S   N    _N3_    24     1.38483   113.50150    42.44836
   28    27 S   H    _HN3    25     1.01490   119.01153    -0.64619
   29    24 S   S    _SG2    35     1.82738   113.18137   -63.58493
   30    27 S   CT   _CA3    26     1.45443   123.43280   174.67980
   31    30 S   HC   HA31    27     1.09521   109.25743    24.62687
   32    30 S   HC   HA32    28     1.09495   107.13746   141.66331
   33    29 S   CT   _C7_    36     1.82374    99.99834   -76.39550
   34    33 S   HC   _H9_    37     1.09500   107.79839  -108.69385
   35    33 S   HC   _H10    38     1.09033   110.72661     7.85923
   36    30 S   CO3  _C3_    29     1.52931   113.02562   -98.83384
   37    36 S   O2Z  _O31    30     1.26408   115.38387   -44.91523
   38    36 S   O2Z  _O32    31     1.26350   114.99597   135.97842
   39    33 S   CM   _C6_    39     1.49853   109.22032   133.20613
   40    39 S   HC   _H8_    40     1.09057   114.33052    61.22943
   41    39 S   CM   _C5_    41     1.34803   128.26044  -119.44766
   42    41 S   CT   _C4_    42     1.50433   125.37165    -0.60263
   43    42 S   HC   _H5_    43     1.09423   110.56251   122.74887
   44    42 S   HC   _H6_    44     1.09522   109.89484  -118.01396
   45    42 S   HC   _H7_    45     1.09109   113.76282     2.22202
   46    41 S   CT   _C8_    46     1.51705   119.84142  -179.51302
   47    46 S   HC   _H11    47     1.09815   110.05807    22.84459
   48    46 S   HC   _H12    48     1.09522   108.83405   137.81718
   49    46 S   CT   _C9_    49     1.54012   112.00855   -98.20327
   50    49 S   HC   _H13    50     1.09546   110.65298   -52.85615
   51    49 S   HC   _H14    51     1.09446   106.59455    61.79581
   52    49 S   CT   _C10    52     1.55420   112.53213  -177.30035
   53    52 S   HC   _H3_    53     1.10114   105.08758   -45.41207
   54    52 S   CM   _C11    54     1.53373   115.00229    70.77986
   55    54 S   CT   _C13    55     1.50748   113.86757  -170.62432
   56    55 S   HC   _H17    56     1.09734   108.86589    64.89227
   57    55 S   HC   _H18    57     1.09670   111.71147  -177.92434
   58    54 S   CM   _C12    86     1.34349   126.27824    11.46889
   59    58 S   HC   _H15    87     1.08307   122.80243    -0.35166
   60    58 S   HC   _H16    88     1.08572   121.09141   178.99614
   61    55 S   CT   _C14    58     1.52945   111.11644   -56.09513
   62    61 S   HC   _H19    59     1.09440   107.34000   174.89136
   63    61 S   HC   _H20    60     1.09538   109.69879   -69.89057
   64    61 S   CT   _C15    61     1.54562   111.53998    53.30750
   65    64 S   HC   _H4_    62     1.10354   104.73545    55.76647
   66    52 S   CT   _C16    63     1.59374   114.61768  -161.88152
   67    66 S   CT   _C17    64     1.55261   110.52122    54.09563
   68    67 S   HC   _H21    65     1.09800   109.34967    46.70442
   69    67 S   HC   _H22    66     1.09520   110.77316   -70.42092
   70    66 S   CT   _C23    82     1.54911   108.73785   -64.90513
   71    70 S   HC   _H33    83     1.09304   112.84227   -66.13714
   72    70 S   HC   _H34    84     1.08844   113.01122   171.98923
   73    70 S   HC   _H35    85     1.09518   111.00057    54.00753
   74    67 S   CT   _C18    67     1.52662   114.06301   168.34460
   75    74 S   HC   _H23    68     1.09413   110.77978    66.83173
   76    74 S   HC   _H24    69     1.09682   108.80021  -177.08543
   77    74 S   CT   _C19    70     1.52076   111.91049   -56.73831
   78    77 S   HC   _H25    71     1.09759   109.03616   179.44822
   79    77 S   HC   _H26    72     1.09882   107.91982   -65.84211
   80    64 S   CT   _C20    73     1.57122   114.10044   168.38719
   81    80 S   CT   _C21    74     1.55263   109.78251   -62.17885
   82    81 S   HC   _H27    75     1.09456   112.02907    70.17503
   83    81 S   HC   _H28    76     1.09574   111.39793   -50.93209
   84    81 S   HC   _H29    77     1.09672   110.99060  -170.47975
   85    80 S   CT   _C22    78     1.54007   114.48444    57.06987
   86    85 S   HC   _H30    79     1.09431   111.81131   -53.18892
   87    85 S   HC   _H31    80     1.09725   110.53324  -172.01901
   88    85 S   HC   _H32    81     1.08874   113.34370    69.37263
  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   6   5   4   3
   7   4   3   2   1   1  10   3  11   7   3   2   1   9   5   4
  11   5   4  21   7  13  12   6   5   4   1   1  11   5   4  22
   7  14  13   6   5   5   2   1   1   8   5   4  11   4   3   8
   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    46  
   35    39    40    41  
   39    40    41  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    48    49  
   41    42    46  
   42    43    44    45    46    47    48    49    50    51    52  
   43    44    45    46    47    48    49  
   44    45    46  
   45    46  
   46  
   47    48    49    50    51    52    53    54    66  
   48    49    50    51    52  
   49    50    51    52  
   50    51    52    53    54    55    64    66    67    70    58  
   51    52    53    54    66  
   52    53    54    66  
   53    54    55    56    57    61    64    65    66    67    68    69    74    80    70    71    72    73    58    59    60  
   54    55    64    66    67    70    58  
   55    56    57    61    62    63    64    66    67    70    58    59    60  
   56    57    61    62    63    64    65    66    80    58    59    60  
   57    61    62    63    64    58  
   61    62    63    64    58  
   59    60    61    66  
   60  
    0  
   62    63    64    65    66    67    77    80    81    85    70  
   63    64    65    66    80  
   64    65    66    80  
   65    66    67    68    69    74    77    78    79    80    81    82    83    84    85    86    87    88    70    71    72    73  
   66    67    77    80    81    85    70  
   67    68    69    74    75    76    77    80    81    85    70    71    72    73  
   68    69    74    75    76    77    78    79    80    70    71    72    73  
   69    74    75    76    77    70  
   74    75    76    77    70  
   71    72    73    74    80  
   72    73  
   73  
    0  
   75    76    77    78    79    80    81    85  
   76    77    78    79    80  
   77    78    79    80  
   78    79    80    81    82    83    84    85    86    87    88  
   79    80    81    85  
   80    81    85  
   81    82    83    84    85    86    87    88  
   82    83    84    85    86    87    88  
   83    84    85  
   84    85  
   85  
   86    87    88  
   87    88  
   88  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0300   0.115000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   340.000  1.080
   39    41   549.000  1.340
   41    42   317.000  1.510
   41    46   317.000  1.510
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   317.000  1.510
   52    66   268.000  1.529
   54    55   317.000  1.510
   54    58   549.000  1.340
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    80   268.000  1.529
   66    67   268.000  1.529
   66    70   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   268.000  1.529
   80    81   268.000  1.529
   80    85   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   58    59   340.000  1.080
   58    60   340.000  1.080
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    35.00000  117.00000
   33    39    41    70.00000  124.00000
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    41    42    70.00000  124.00000
   39    41    46    70.00000  124.00000
   41    39    40    35.00000  120.00000
   41    42    43    35.00000  109.50000
   41    42    44    35.00000  109.50000
   41    42    45    35.00000  109.50000
   41    46    47    35.00000  109.50000
   41    46    48    35.00000  109.50000
   41    46    49    70.00000  112.02700
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   46    41    42    65.00000  117.92700
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    52    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    70.00000  112.02700
   49    52    66    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    54    55    65.00000  117.92700
   52    54    58    70.00000  124.00000
   52    66    64    58.35000  112.70000
   52    66    67    58.35000  112.70000
   52    66    70    58.35000  112.70000
   54    52    53    35.00000  109.50000
   54    55    56    35.00000  109.50000
   54    55    57    35.00000  109.50000
   54    55    61    70.00000  112.02700
   54    58    59    35.00000  120.00000
   54    58    60    35.00000  120.00000
   55    61    62    37.50000  110.70000
   55    61    63    37.50000  110.70000
   55    61    64    58.35000  112.70000
   57    55    56    33.00000  107.80000
   61    55    56    37.50000  110.70000
   61    55    57    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    58.35000  112.70000
   61    64    80    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    66    67    58.35000  112.70000
   64    66    70    58.35000  112.70000
   64    80    77    58.35000  112.70000
   64    80    81    58.35000  112.70000
   64    80    85    58.35000  112.70000
   66    52    53    37.50000  110.70000
   66    52    54    70.00000  112.02700
   66    64    65    37.50000  110.70000
   66    67    68    37.50000  110.70000
   66    67    69    37.50000  110.70000
   66    67    74    58.35000  112.70000
   66    70    71    37.50000  110.70000
   66    70    72    37.50000  110.70000
   66    70    73    37.50000  110.70000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    77    58.35000  112.70000
   69    67    68    33.00000  107.80000
   74    67    68    37.50000  110.70000
   74    67    69    37.50000  110.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    80    81    58.35000  112.70000
   77    80    85    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    64    65    37.50000  110.70000
   80    64    66    58.35000  112.70000
   80    77    78    37.50000  110.70000
   80    77    79    37.50000  110.70000
   80    81    82    37.50000  110.70000
   80    81    83    37.50000  110.70000
   80    81    84    37.50000  110.70000
   80    85    86    37.50000  110.70000
   80    85    87    37.50000  110.70000
   80    85    88    37.50000  110.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   85    80    81    58.35000  112.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   70    66    67    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   58    54    55    70.00000  124.00000
   60    58    59    35.00000  117.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    41   0.42700  1.0 1.0
   29    33    39    41  -0.70350 -1.0 2.0
   29    33    39    41  -0.43150  1.0 3.0
   33    39    41    42   7.00000 -1.0 2.0
   33    39    41    46   7.00000 -1.0 2.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    41   0.00000  1.0 1.0
   35    33    39    40   0.33100  1.0 3.0
   35    33    39    41   0.00000  1.0 1.0
   39    41    42    43   0.00000  1.0 1.0
   39    41    42    44   0.00000  1.0 1.0
   39    41    42    45   0.00000  1.0 1.0
   39    41    46    47   0.00000  1.0 1.0
   39    41    46    48   0.00000  1.0 1.0
   39    41    46    49   0.09850  1.0 1.0
   39    41    46    49   0.15250 -1.0 2.0
   39    41    46    49  -0.50650  1.0 3.0
   40    39    41    42   7.00000 -1.0 2.0
   40    39    41    46   7.00000 -1.0 2.0
   41    46    49    50   0.15000  1.0 3.0
   41    46    49    51   0.15000  1.0 3.0
   41    46    49    52   0.34400  1.0 1.0
   41    46    49    52   0.09450 -1.0 2.0
   41    46    49    52   0.11100  1.0 3.0
   42    41    46    47   0.34800  1.0 3.0
   42    41    46    48   0.34800  1.0 3.0
   42    41    46    49   0.46850  1.0 1.0
   42    41    46    49   0.08550 -1.0 2.0
   42    41    46    49   0.09800  1.0 3.0
   46    41    42    43   0.34800  1.0 3.0
   46    41    42    44   0.34800  1.0 3.0
   46    41    42    45   0.34800  1.0 3.0
   46    49    52    53   0.15000  1.0 3.0
   46    49    52    54   0.34400  1.0 1.0
   46    49    52    54   0.09450 -1.0 2.0
   46    49    52    54   0.11100  1.0 3.0
   46    49    52    66   0.56750  1.0 1.0
   46    49    52    66  -0.07550 -1.0 2.0
   46    49    52    66   0.20000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    52   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51   0.15000  1.0 3.0
   48    46    49    52   0.15000  1.0 3.0
   49    52    54    55   0.46850  1.0 1.0
   49    52    54    55   0.08550 -1.0 2.0
   49    52    54    55   0.09800  1.0 3.0
   49    52    54    58   0.09850  1.0 1.0
   49    52    54    58   0.15250 -1.0 2.0
   49    52    54    58  -0.50650  1.0 3.0
   49    52    66    64   0.56750  1.0 1.0
   49    52    66    64  -0.07550 -1.0 2.0
   49    52    66    64   0.20000  1.0 3.0
   49    52    66    67   0.56750  1.0 1.0
   49    52    66    67  -0.07550 -1.0 2.0
   49    52    66    67   0.20000  1.0 3.0
   49    52    66    70   0.56750  1.0 1.0
   49    52    66    70  -0.07550 -1.0 2.0
   49    52    66    70   0.20000  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    66   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    66   0.15000  1.0 3.0
   52    54    55    56   0.34800  1.0 3.0
   52    54    55    57   0.34800  1.0 3.0
   52    54    55    61   0.46850  1.0 1.0
   52    54    55    61   0.08550 -1.0 2.0
   52    54    55    61   0.09800  1.0 3.0
   52    54    58    59   7.00000 -1.0 2.0
   52    54    58    60   7.00000 -1.0 2.0
   52    66    67    68   0.15000  1.0 3.0
   52    66    67    69   0.15000  1.0 3.0
   52    66    67    74   0.56750  1.0 1.0
   52    66    67    74  -0.07550 -1.0 2.0
   52    66    67    74   0.20000  1.0 3.0
   52    66    70    71   0.15000  1.0 3.0
   52    66    70    72   0.15000  1.0 3.0
   52    66    70    73   0.15000  1.0 3.0
   53    52    54    55   0.34800  1.0 3.0
   53    52    54    58   0.00000  1.0 1.0
   53    52    66    64   0.15000  1.0 3.0
   53    52    66    67   0.15000  1.0 3.0
   53    52    66    70   0.15000  1.0 3.0
   54    52    66    64   0.34400  1.0 1.0
   54    52    66    64   0.09450 -1.0 2.0
   54    52    66    64   0.11100  1.0 3.0
   54    52    66    67   0.34400  1.0 1.0
   54    52    66    67   0.09450 -1.0 2.0
   54    52    66    67   0.11100  1.0 3.0
   54    52    66    70   0.34400  1.0 1.0
   54    52    66    70   0.09450 -1.0 2.0
   54    52    66    70   0.11100  1.0 3.0
   54    55    61    62   0.15000  1.0 3.0
   54    55    61    63   0.15000  1.0 3.0
   54    55   -61    64   0.34400  1.0 1.0
   54    55   -61    64   0.09450 -1.0 2.0
   54    55   -61    64   0.11100  1.0 3.0
   55    54    58    59   7.00000 -1.0 2.0
   55    54    58    60   7.00000 -1.0 2.0
   55    61    64    65   0.15000  1.0 3.0
   55    61    64    66   0.56750  1.0 1.0
   55    61    64    66  -0.07550 -1.0 2.0
   55    61    64    66   0.20000  1.0 3.0
   55    61    64    80   0.56750  1.0 1.0
   55    61    64    80  -0.07550 -1.0 2.0
   55    61    64    80   0.20000  1.0 3.0
   56    55    61    62   0.15000  1.0 3.0
   56    55    61    63   0.15000  1.0 3.0
   56    55    61    64   0.15000  1.0 3.0
   57    55    61    62   0.15000  1.0 3.0
   57    55    61    63   0.15000  1.0 3.0
   57    55    61    64   0.15000  1.0 3.0
   61    64   -66    52   0.56750  1.0 1.0
   61    64   -66    52  -0.07550 -1.0 2.0
   61    64   -66    52   0.20000  1.0 3.0
   61    64    66    67   0.56750  1.0 1.0
   61    64    66    67  -0.07550 -1.0 2.0
   61    64    66    67   0.20000  1.0 3.0
   61    64    66    70   0.56750  1.0 1.0
   61    64    66    70  -0.07550 -1.0 2.0
   61    64    66    70   0.20000  1.0 3.0
   61    64    80    77   0.56750  1.0 1.0
   61    64    80    77  -0.07550 -1.0 2.0
   61    64    80    77   0.20000  1.0 3.0
   61    64    80    81   0.56750  1.0 1.0
   61    64    80    81  -0.07550 -1.0 2.0
   61    64    80    81   0.20000  1.0 3.0
   61    64    80    85   0.56750  1.0 1.0
   61    64    80    85  -0.07550 -1.0 2.0
   61    64    80    85   0.20000  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    80   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    80   0.15000  1.0 3.0
   64    66    67    68   0.15000  1.0 3.0
   64    66    67    69   0.15000  1.0 3.0
   64    66    67    74   0.56750  1.0 1.0
   64    66    67    74  -0.07550 -1.0 2.0
   64    66    67    74   0.20000  1.0 3.0
   64    66    70    71   0.15000  1.0 3.0
   64    66    70    72   0.15000  1.0 3.0
   64    66    70    73   0.15000  1.0 3.0
   64    80    81    82   0.15000  1.0 3.0
   64    80    81    83   0.15000  1.0 3.0
   64    80    81    84   0.15000  1.0 3.0
   64    80    85    86   0.15000  1.0 3.0
   64    80    85    87   0.15000  1.0 3.0
   64    80    85    88   0.15000  1.0 3.0
   65    64    66    52   0.15000  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    70   0.15000  1.0 3.0
   65    64    80    77   0.15000  1.0 3.0
   65    64    80    81   0.15000  1.0 3.0
   65    64    80    85   0.15000  1.0 3.0
   66    52   -54    55   0.46850  1.0 1.0
   66    52   -54    55   0.08550 -1.0 2.0
   66    52   -54    55   0.09800  1.0 3.0
   66    52    54    58   0.09850  1.0 1.0
   66    52    54    58   0.15250 -1.0 2.0
   66    52    54    58  -0.50650  1.0 3.0
   66    64    80    77   0.56750  1.0 1.0
   66    64    80    77  -0.07550 -1.0 2.0
   66    64    80    77   0.20000  1.0 3.0
   66    64    80    81   0.56750  1.0 1.0
   66    64    80    81  -0.07550 -1.0 2.0
   66    64    80    81   0.20000  1.0 3.0
   66    64    80    85   0.56750  1.0 1.0
   66    64    80    85  -0.07550 -1.0 2.0
   66    64    80    85   0.20000  1.0 3.0
   66    67    74    75   0.15000  1.0 3.0
   66    67    74    76   0.15000  1.0 3.0
   66    67   -74    77   0.56750  1.0 1.0
   66    67   -74    77  -0.07550 -1.0 2.0
   66    67   -74    77   0.20000  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    72   0.15000  1.0 3.0
   67    66    70    73   0.15000  1.0 3.0
   67    74    77    78   0.15000  1.0 3.0
   67    74    77    79   0.15000  1.0 3.0
   67    74    77    80   0.56750  1.0 1.0
   67    74    77    80  -0.07550 -1.0 2.0
   67    74    77    80   0.20000  1.0 3.0
   68    67    74    75   0.15000  1.0 3.0
   68    67    74    76   0.15000  1.0 3.0
   68    67    74    77   0.15000  1.0 3.0
   69    67    74    75   0.15000  1.0 3.0
   69    67    74    76   0.15000  1.0 3.0
   69    67    74    77   0.15000  1.0 3.0
   74    77   -80    64   0.56750  1.0 1.0
   74    77   -80    64  -0.07550 -1.0 2.0
   74    77   -80    64   0.20000  1.0 3.0
   74    77    80    81   0.56750  1.0 1.0
   74    77    80    81  -0.07550 -1.0 2.0
   74    77    80    81   0.20000  1.0 3.0
   74    77    80    85   0.56750  1.0 1.0
   74    77    80    85  -0.07550 -1.0 2.0
   74    77    80    85   0.20000  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    80   0.15000  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   76    74    77    79   0.15000  1.0 3.0
   76    74    77    80   0.15000  1.0 3.0
   77    80    81    82   0.15000  1.0 3.0
   77    80    81    83   0.15000  1.0 3.0
   77    80    81    84   0.15000  1.0 3.0
   77    80    85    86   0.15000  1.0 3.0
   77    80    85    87   0.15000  1.0 3.0
   77    80    85    88   0.15000  1.0 3.0
   78    77    80    64   0.15000  1.0 3.0
   78    77    80    81   0.15000  1.0 3.0
   78    77    80    85   0.15000  1.0 3.0
   79    77    80    64   0.15000  1.0 3.0
   79    77    80    81   0.15000  1.0 3.0
   79    77    80    85   0.15000  1.0 3.0
   80    64    66    52   0.56750  1.0 1.0
   80    64    66    52  -0.07550 -1.0 2.0
   80    64    66    52   0.20000  1.0 3.0
   80    64   -66    67   0.56750  1.0 1.0
   80    64   -66    67  -0.07550 -1.0 2.0
   80    64   -66    67   0.20000  1.0 3.0
   80    64    66    70   0.56750  1.0 1.0
   80    64    66    70  -0.07550 -1.0 2.0
   80    64    66    70   0.20000  1.0 3.0
   81    80    85    86   0.15000  1.0 3.0
   81    80    85    87   0.15000  1.0 3.0
   81    80    85    88   0.15000  1.0 3.0
   85    80    81    82   0.15000  1.0 3.0
   85    80    81    83   0.15000  1.0 3.0
   85    80    81    84   0.15000  1.0 3.0
   70    66    67    68   0.15000  1.0 3.0
   70    66    67    69   0.15000  1.0 3.0
   70    66    67    74   0.56750  1.0 1.0
   70    66    67    74  -0.07550 -1.0 2.0
   70    66    67    74   0.20000  1.0 3.0
   58    54    55    56   0.00000  1.0 1.0
   58    54    55    57   0.00000  1.0 1.0
   58    54    55    61   0.09850  1.0 1.0
   58    54    55    61   0.15250 -1.0 2.0
   58    54    55    61  -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
   37    30    36    38  10.50000 -1.0 2.0
   33    40    39    41  15.00000 -1.0 2.0
   42    46    41    39  15.00000 -1.0 2.0
   52    55    54    58   1.10000 -1.0 2.0
   59    60    58    54   1.10000 -1.0 2.0
END
