* LIGAND DATABASE FILE (OPLS2005)
*
001      85    86    158    241     457
    1     0 S   NP   _N1_     1    28.14869    96.20929   -23.55253
    2     1 S   H    _HN1     2     1.02838    35.35343   158.89314
    3     1 S   H    _H1_     3     1.02783   102.99519   -98.42962
    4     1 S   H    _H2_     4     1.02959    75.86708     7.51760
    5     1 S   CT   _CA1     5     1.50133   139.02384   112.48108
    6     5 S   HC   _HA1     6     1.09578   105.21053    85.82847
    7     5 S   CO3  _C1_     7     1.53780   112.32473   -34.35674
    8     7 S   O2Z  _O11     8     1.26367   115.00059   -44.63305
    9     7 S   O2Z  _O12     9     1.26233   114.92555   134.40810
   10     5 S   CT   _CB1    10     1.53092   107.41692  -156.27925
   11    10 S   HC   HB11    11     1.09829   109.32267   -50.44813
   12    10 S   HC   HB12    12     1.09817   110.43850    66.09954
   13    10 S   CT   _CG1    13     1.53029   112.68308  -171.50225
   14    13 S   HC   HG11    14     1.09593   110.51783   -64.65849
   15    13 S   HC   HG12    15     1.09658   109.90520    54.55220
   16    13 S   C    _CD1    16     1.51848   112.25883   174.91847
   17    16 S   O    _OE1    17     1.22761   123.27898     1.53926
   18    16 S   N    _N2_    18     1.38544   111.76276  -178.48742
   19    18 S   H    _HN2    19     1.01570   119.08942     4.05299
   20    18 S   CT1  _CA2    20     1.45842   122.84872   177.89420
   21    20 S   HC   _HA2    21     1.09734   108.91894    24.75998
   22    20 S   C    _C2_    22     1.52952   107.06679   -92.25719
   23    22 S   O    _O2_    23     1.22973   123.08588   -26.18277
   24    20 S   CT   _CB2    32     1.53264   112.17647   147.95789
   25    24 S   HC   HB21    33     1.09445   109.71430    54.90527
   26    24 S   HC   HB22    34     1.09447   109.77632   173.61196
   27    22 S   N    _N3_    24     1.38506   112.52621   156.53758
   28    27 S   H    _HN3    25     1.01654   120.34555    -2.27899
   29    24 S   S    _SG2    35     1.82851   110.80624   -66.80958
   30    27 S   CT   _CA3    26     1.45359   122.51613   178.53660
   31    30 S   HC   HA31    27     1.09570   107.85211   -54.85851
   32    30 S   HC   HA32    28     1.09561   107.57986    61.48945
   33    29 S   CT   _C9_    36     1.88530   101.69317   167.26521
   34    30 S   CO3  _C3_    29     1.52902   114.29737  -176.78691
   35    34 S   O2Z  _O31    30     1.26341   116.04783    -0.07913
   36    34 S   O2Z  _O32    31     1.26434   114.41818   179.86583
   37    33 S   CM   _C8_    37     1.52184   106.00196   -68.91206
   38    37 S   HC   _H8_    38     1.09112   114.96584   -60.09237
   39    33 S   CM   _C11    77     1.51974   105.41620   172.68694
   40    39 S   HC   _H12    78     1.09213   117.89115   -33.06445
   41    33 S   CT   _C10    82     1.53814   108.82766    56.83774
   42    41 S   HC   _H9_    83     1.09728   111.71730    56.10718
   43    41 S   HC   _H10    84     1.09667   111.36816   175.36485
   44    41 S   HC   _H11    85     1.09506   112.71656   -65.21339
   45    37 S   CM   _C7_    39     1.34455   126.93098   120.79675
   46    45 S   HC   _H7_    40     1.08243   119.22410     0.05935
   47    39 S   CMA  _C12    79     1.51435   124.70491   153.03889
   48    47 S   OM   _O33    80     1.26219   119.29092  -145.49433
   49    47 S   OM   _O34    81     1.26187   122.16857    36.27927
   50    45 S   CM   _C6_    41     1.44955   122.63320   179.67615
   51    50 S   HC   _H6_    42     1.09076   113.98295    -1.18134
   52    50 S   CM   _C5_    43     1.35042   127.66766   179.04264
   53    52 S   CM   _C13    44     1.46496   118.18317   179.73607
   54    53 S   HC   _H13    45     1.08982   115.98679    -0.00000
   55    52 S   CT   _C4_    73     1.50818   124.59563    -0.24147
   56    55 S   HC   _H3_    74     1.09584   110.46937   119.51184
   57    55 S   HC   _H4_    75     1.09180   113.88104    -0.39811
   58    55 S   HC   _H5_    76     1.09587   110.46545  -120.16279
   59    53 S   CM   _C14    46     1.34430   127.06108  -179.89721
   60    59 S   HC   _H14    47     1.08662   119.93513    -0.31590
   61    59 S   C3T  _C15    48     1.48744   125.48620  -179.98022
   62    61 S   CT   _C20    49     1.54546   117.03144   -96.79665
   63    61 S   O3T  _O35    60     1.43996   120.29028    46.12105
   64    62 S   CT   _C19    50     1.55218   111.26813  -167.94074
   65    64 S   HC   _H19    51     1.09838   110.21297   -72.32988
   66    64 S   HC   _H20    52     1.09744   110.02461   171.02723
   67    62 S   CT   _C21    65     1.54649   110.59744   -46.73678
   68    67 S   HC   _H21    66     1.09613   111.56154    67.49689
   69    67 S   HC   _H22    67     1.09498   111.75779   -52.22066
   70    67 S   HC   _H23    68     1.09586   111.24640  -173.12434
   71    62 S   CT   _C22    69     1.54323   110.01933    72.67609
   72    71 S   HC   _H24    70     1.09526   111.68305   -62.65199
   73    71 S   HC   _H25    71     1.09591   111.13050   177.34583
   74    71 S   HC   _H26    72     1.09585   111.20528    57.16493
   75    64 S   CT   _C18    53     1.52465   112.44773    49.09345
   76    75 S   HC   _H17    54     1.09528   110.48757    56.74903
   77    75 S   HC   _H18    55     1.09635   109.59844   173.64155
   78    75 S   CT   _C17    56     1.52197   111.35962   -65.64083
   79    78 S   HC   _H15    57     1.09685   108.27930   169.05260
   80    78 S   HC   _H16    58     1.09755   109.52697   -75.46418
   81    61 S   C3T  _C16    59     1.54684   116.81660   112.26108
   82    81 S   CT   _C23    61     1.50309   121.83972   -12.68619
   83    82 S   HC   _H27    62     1.09467   112.68232   -30.98430
   84    82 S   HC   _H28    63     1.09533   110.45311  -150.81505
   85    82 S   HC   _H29    64     1.09460   109.97121    89.82705
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  14   2   1   1  13   5   9   4   5   2   1   1   6   3   2   1
   1   9   3   9  11   4   4   2   1   1  10   4  22  18  12  17
   7   6   9   3   2   1   5   2   1   1   7   5   4   7   3   2
   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    39    40    47    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    46    50    39    40    47    48    49    41    42    43    44  
   35    36  
   36  
    0  
   38    45    46    50    51    52    39    40    47    41    42    43    44  
   45    46    50    39    41  
   40    47    48    49    41    42    43    44    45  
   47    48    49    41  
   42    43    44    45    47  
   43    44  
   44  
    0  
   46    50    51    52    53    55  
   50    51    52  
   48    49  
   49  
    0  
   51    52    53    54    59    55    56    57    58  
   52    53    55  
   53    54    59    60    61    55    56    57    58  
   54    59    60    61    62    81    63    55    56    57    58  
   59    60    61    55  
   56    57    58    59  
   57    58  
   58  
    0  
   60    61    62    64    78    81    63    82    67    71  
   61    62    81    63  
   62    64    65    66    75    78    79    80    81    63    82    83    84    85    67    68    69    70    71    72    73    74  
   64    65    66    75    76    77    78    81    63    82    67    68    69    70    71    72    73    74  
   82    83    84    85    67    71    64    75    78    79    80    81  
   65    66    75    76    77    78    79    80    81    67    68    69    70    71    72    73    74  
   66    75    76    77    78    67    71  
   75    76    77    78    67    71  
   68    69    70    71    72    73    74    75    81  
   69    70    71  
   70    71  
   71  
   72    73    74    75    81  
   73    74  
   74  
    0  
   76    77    78    79    80    81    82  
   77    78    79    80    81  
   78    79    80    81  
   79    80    81    82    83    84    85  
   80    81    82  
   81    82  
   82    83    84    85  
   83    84    85  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   49   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   317.000  1.510
   33    41   268.000  1.529
   37    38   340.000  1.080
   37    45   549.000  1.340
   45    46   340.000  1.080
   45    50   380.000  1.444
   50    51   340.000  1.080
   50    52   549.000  1.340
   52    53   380.000  1.444
   52    55   317.000  1.510
   53    54   340.000  1.080
   53    59   549.000  1.340
   59    60   340.000  1.080
   59    61   305.000  1.480
   61    62   275.000  1.510
   61    81   260.000  1.509
   61    63   335.000  1.432
   62    64   268.000  1.529
   62    67   268.000  1.529
   62    71   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   275.000  1.510
   81    63   335.000  1.432
   81    82   275.000  1.510
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   39    40   340.000  1.080
   39    47   465.000  1.376
   47    48   745.000  1.250
   47    49   745.000  1.250
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  112.20000
   29    33    41    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    45    70.00000  124.00000
   33    39    40    35.00000  117.00000
   33    39    47    70.00000  124.00000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   37    45    46    35.00000  120.00000
   37    45    50    70.00000  123.01800
   45    37    38    35.00000  120.00000
   45    50    51    35.00000  120.00000
   45    50    52    70.00000  123.01800
   50    45    46    35.00000  120.00000
   50    52    53    70.00000  123.01800
   50    52    55    70.00000  124.00000
   52    50    51    35.00000  120.00000
   52    53    54    35.00000  120.00000
   52    53    59    70.00000  123.01800
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    58    35.00000  109.50000
   53    59    60    35.00000  120.00000
   53    59    61    55.00000  125.06700
   59    53    54    35.00000  120.00000
   59    61    62    65.00000  117.55000
   59    61    81    60.00000  120.58800
   59    61    63    85.00000  114.23300
   61    59    60    40.00000  117.24000
   61    62    64    70.00000  112.37300
   61    62    67    70.00000  112.37300
   61    62    71    70.00000  112.37300
   61    81    78    60.00000  120.94000
   61    81    63    15.00000   60.43100
   61    81    82    60.00000  120.94000
   61    63    81    15.00000   59.14900
   62    64    65    37.50000  110.70000
   62    64    66    37.50000  110.70000
   62    64    75    58.35000  112.70000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    70    37.50000  110.70000
   62    71    72    37.50000  110.70000
   62    71    73    37.50000  110.70000
   62    71    74    37.50000  110.70000
   64    75    76    37.50000  110.70000
   64    75    77    37.50000  110.70000
   64    75    78    58.35000  112.70000
   66    64    65    33.00000  107.80000
   75    64    65    37.50000  110.70000
   75    64    66    37.50000  110.70000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    70.00000  112.37300
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   78    81    63    80.00000  116.47100
   78    81    82    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    61    62    60.00000  120.94000
   81    78    79    45.00000  109.38400
   81    78    80    45.00000  109.38400
   81    82    83    45.00000  109.38400
   81    82    84    45.00000  109.38400
   81    82    85    45.00000  109.38400
   63    61    62    80.00000  116.47100
   63    61    81    15.00000   60.43100
   82    81    63    80.00000  116.47100
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   67    62    64    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
   71    62    64    58.35000  112.70000
   71    62    67    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   55    52    53    70.00000  124.00000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   39    33    37    70.00000  110.12100
   39    47    48    65.00000  137.10300
   39    47    49    65.00000  137.10300
   47    39    40    40.00000  120.50800
   49    47    48    65.00000  121.00000
   41    33    37    70.00000  112.02700
   41    33    39    70.00000  112.02700
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    45   0.42700  1.0 1.0
   29    33    37    45  -0.70350 -1.0 2.0
   29    33    37    45  -0.43150  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    47   0.42700  1.0 1.0
   29    33    39    47  -0.70350 -1.0 2.0
   29    33    39    47  -0.43150  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   33    37    45    46   7.00000 -1.0 2.0
   33    37    45    50   7.00000 -1.0 2.0
   33    39    47    48   7.00000 -1.0 2.0
   33    39    47    49   7.00000 -1.0 2.0
   37    33    39    40   0.00000  1.0 1.0
   37    33    39    47  -0.28300  1.0 1.0
   37    33    39    47   0.26700 -1.0 2.0
   37    33    39    47  -0.63300  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    45    50    51  -0.18600  1.0 3.0
   37    45    50    52   0.28850  1.0 1.0
   37    45    50    52   2.61350 -1.0 2.0
   37    45    50    52   0.78400  1.0 3.0
   38    37    45    46   7.00000 -1.0 2.0
   38    37    45    50   7.00000 -1.0 2.0
   45    50    52    53   7.00000 -1.0 2.0
   45    50    52    55   7.00000 -1.0 2.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    52  -0.18600  1.0 3.0
   50    52    53    54  -0.18600  1.0 3.0
   50    52    53    59   0.28850  1.0 1.0
   50    52    53    59   2.61350 -1.0 2.0
   50    52    53    59   0.78400  1.0 3.0
   50    52    55    56   0.00000  1.0 1.0
   50    52    55    57   0.00000  1.0 1.0
   50    52    55    58   0.00000  1.0 1.0
   51    50    52    53   7.00000 -1.0 2.0
   51    50    52    55   7.00000 -1.0 2.0
   52    53    59    60   7.00000 -1.0 2.0
   52    53    59    61   7.00000 -1.0 2.0
   53    52    55    56   0.00000  1.0 1.0
   53    52    55    57   0.00000  1.0 1.0
   53    52    55    58   0.00000  1.0 1.0
   53    59    61    62   0.09850  1.0 1.0
   53    59    61    62   0.15250 -1.0 2.0
   53    59    61    62  -0.50650  1.0 3.0
   53    59    61    81   0.09850  1.0 1.0
   53    59    61    81   0.15250 -1.0 2.0
   53    59    61    81  -0.50650  1.0 3.0
   53    59    61    63   0.39000  1.0 1.0
   53    59    61    63  -0.05800 -1.0 2.0
   53    59    61    63  -0.55150  1.0 3.0
   54    53    59    60   7.00000 -1.0 2.0
   54    53    59    61   7.00000 -1.0 2.0
   59    61    62    64   0.34400  1.0 1.0
   59    61    62    64   0.09450 -1.0 2.0
   59    61    62    64   0.11100  1.0 3.0
   59    61    62    67   0.34400  1.0 1.0
   59    61    62    67   0.09450 -1.0 2.0
   59    61    62    67   0.11100  1.0 3.0
   59    61    62    71   0.34400  1.0 1.0
   59    61    62    71   0.09450 -1.0 2.0
   59    61    62    71   0.11100  1.0 3.0
   59    61    81    78   0.34400  1.0 1.0
   59    61    81    78   0.09450 -1.0 2.0
   59    61    81    78   0.11100  1.0 3.0
   59    61   -81    63   0.61850  1.0 1.0
   59    61   -81    63  -0.22750 -1.0 2.0
   59    61   -81    63   0.15300  1.0 3.0
   59    61    81    82   0.34400  1.0 1.0
   59    61    81    82   0.09450 -1.0 2.0
   59    61    81    82   0.11100  1.0 3.0
   59    61   -63    81  -0.77900  1.0 1.0
   59    61   -63    81  -0.36900 -1.0 2.0
   59    61   -63    81   0.40400  1.0 3.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    81   0.00000  1.0 1.0
   60    59    61    63   0.00000  1.0 1.0
   61    62    64    65   0.15000  1.0 3.0
   61    62    64    66   0.15000  1.0 3.0
   61    62    64    75   0.47050  1.0 1.0
   61    62    64    75   0.03900 -1.0 2.0
   61    62    64    75   0.20100  1.0 3.0
   61    62    67    68   0.15000  1.0 3.0
   61    62    67    69   0.15000  1.0 3.0
   61    62    67    70   0.15000  1.0 3.0
   61    62    71    72   0.15000  1.0 3.0
   61    62    71    73   0.15000  1.0 3.0
   61    62    71    74   0.15000  1.0 3.0
   61    81    82    83   0.15000  1.0 3.0
   61    81    82    84   0.15000  1.0 3.0
   61    81    82    85   0.15000  1.0 3.0
   62    61    81    78   0.56750  1.0 1.0
   62    61    81    78  -0.07550 -1.0 2.0
   62    61    81    78   0.20000  1.0 3.0
   62    61   -81    63   0.02550  1.0 1.0
   62    61   -81    63  -0.02600 -1.0 2.0
   62    61   -81    63   1.20400  1.0 3.0
   62    61    81    82   0.56750  1.0 1.0
   62    61    81    82  -0.07550 -1.0 2.0
   62    61    81    82   0.20000  1.0 3.0
   62    61   -63    81   0.06250  1.0 1.0
   62    61   -63    81  -0.01100 -1.0 2.0
   62    61   -63    81   0.28050  1.0 3.0
   62    64    75    76   0.15000  1.0 3.0
   62    64    75    77   0.15000  1.0 3.0
   62    64   -75    78   0.56750  1.0 1.0
   62    64   -75    78  -0.07550 -1.0 2.0
   62    64   -75    78   0.20000  1.0 3.0
   64    62    67    68   0.15000  1.0 3.0
   64    62    67    69   0.15000  1.0 3.0
   64    62    67    70   0.15000  1.0 3.0
   64    62    71    72   0.15000  1.0 3.0
   64    62    71    73   0.15000  1.0 3.0
   64    62    71    74   0.15000  1.0 3.0
   64    75    78    79   0.15000  1.0 3.0
   64    75    78    80   0.15000  1.0 3.0
   64    75    78    81   0.47050  1.0 1.0
   64    75    78    81   0.03900 -1.0 2.0
   64    75    78    81   0.20100  1.0 3.0
   65    64    75    76   0.15000  1.0 3.0
   65    64    75    77   0.15000  1.0 3.0
   65    64    75    78   0.15000  1.0 3.0
   66    64    75    76   0.15000  1.0 3.0
   66    64    75    77   0.15000  1.0 3.0
   66    64    75    78   0.15000  1.0 3.0
   75    78   -81    61   0.07850  1.0 1.0
   75    78   -81    61  -0.03950 -1.0 2.0
   75    78   -81    61   0.67350  1.0 3.0
   75    78    81    63   0.02550  1.0 1.0
   75    78    81    63  -0.02600 -1.0 2.0
   75    78    81    63   1.20400  1.0 3.0
   75    78    81    82   0.56750  1.0 1.0
   75    78    81    82  -0.07550 -1.0 2.0
   75    78    81    82   0.20000  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    80   0.15000  1.0 3.0
   76    75    78    81   0.15000  1.0 3.0
   77    75    78    79   0.15000  1.0 3.0
   77    75    78    80   0.15000  1.0 3.0
   77    75    78    81   0.15000  1.0 3.0
   78    81   -63    61   0.06250  1.0 1.0
   78    81   -63    61  -0.01100 -1.0 2.0
   78    81   -63    61   0.28050  1.0 3.0
   78    81    82    83   0.15000  1.0 3.0
   78    81    82    84   0.15000  1.0 3.0
   78    81    82    85   0.15000  1.0 3.0
   79    78    81    61   0.15000  1.0 3.0
   79    78    81    63   0.23400  1.0 3.0
   79    78    81    82   0.15000  1.0 3.0
   80    78    81    61   0.15000  1.0 3.0
   80    78    81    63   0.23400  1.0 3.0
   80    78    81    82   0.15000  1.0 3.0
   81    61   -62    64   0.07850  1.0 1.0
   81    61   -62    64  -0.03950 -1.0 2.0
   81    61   -62    64   0.67350  1.0 3.0
   81    61    62    67   0.07850  1.0 1.0
   81    61    62    67  -0.03950 -1.0 2.0
   81    61    62    67   0.67350  1.0 3.0
   81    61    62    71   0.07850  1.0 1.0
   81    61    62    71  -0.03950 -1.0 2.0
   81    61    62    71   0.67350  1.0 3.0
   63    61    62    64   0.02550  1.0 1.0
   63    61    62    64  -0.02600 -1.0 2.0
   63    61    62    64   1.20400  1.0 3.0
   63    61    62    67   0.02550  1.0 1.0
   63    61    62    67  -0.02600 -1.0 2.0
   63    61    62    67   1.20400  1.0 3.0
   63    61    62    71   0.02550  1.0 1.0
   63    61    62    71  -0.02600 -1.0 2.0
   63    61    62    71   1.20400  1.0 3.0
   63    61   -81    78   0.02550  1.0 1.0
   63    61   -81    78  -0.02600 -1.0 2.0
   63    61   -81    78   1.20400  1.0 3.0
   63    61   -81    82   0.02550  1.0 1.0
   63    61   -81    82  -0.02600 -1.0 2.0
   63    61   -81    82   1.20400  1.0 3.0
   63    81    82    83   0.23400  1.0 3.0
   63    81    82    84   0.23400  1.0 3.0
   63    81    82    85   0.23400  1.0 3.0
   82    81   -63    61   0.06250  1.0 1.0
   82    81   -63    61  -0.01100 -1.0 2.0
   82    81   -63    61   0.28050  1.0 3.0
   67    62    64    65   0.15000  1.0 3.0
   67    62    64    66   0.15000  1.0 3.0
   67    62    64    75   0.56750  1.0 1.0
   67    62    64    75  -0.07550 -1.0 2.0
   67    62    64    75   0.20000  1.0 3.0
   67    62    71    72   0.15000  1.0 3.0
   67    62    71    73   0.15000  1.0 3.0
   67    62    71    74   0.15000  1.0 3.0
   71    62    64    65   0.15000  1.0 3.0
   71    62    64    66   0.15000  1.0 3.0
   71    62    64    75   0.56750  1.0 1.0
   71    62    64    75  -0.07550 -1.0 2.0
   71    62    64    75   0.20000  1.0 3.0
   71    62    67    68   0.15000  1.0 3.0
   71    62    67    69   0.15000  1.0 3.0
   71    62    67    70   0.15000  1.0 3.0
   55    52    53    54   0.00000  1.0 1.0
   55    52    53    59  -0.18600  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    45  -0.28300  1.0 1.0
   39    33    37    45   0.26700 -1.0 2.0
   39    33    37    45  -0.63300  1.0 3.0
   39    33    41    42   0.15000  1.0 3.0
   39    33    41    43   0.15000  1.0 3.0
   39    33    41    44   0.15000  1.0 3.0
   40    39    47    48   7.00000 -1.0 2.0
   40    39    47    49   7.00000 -1.0 2.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    45   0.09850  1.0 1.0
   41    33    37    45   0.15250 -1.0 2.0
   41    33    37    45  -0.50650  1.0 3.0
   41    33    39    40   0.00000  1.0 1.0
   41    33    39    47   0.09850  1.0 1.0
   41    33    39    47   0.15250 -1.0 2.0
   41    33    39    47  -0.50650  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    45  15.00000 -1.0 2.0
   50    46    45    37  15.00000 -1.0 2.0
   45    51    50    52  15.00000 -1.0 2.0
   53    55    52    50  15.00000 -1.0 2.0
   52    54    53    59  15.00000 -1.0 2.0
   61    60    59    53  15.00000 -1.0 2.0
   33    40    39    47  15.00000 -1.0 2.0
   48    49    47    39  15.00000 -1.0 2.0
END
