* LIGAND DATABASE FILE (OPLS2005)
*
001      88    90    170    268     509
    1     0 S   NP   _N1_     1    28.79516    94.25216   -21.01211
    2     1 S   H    _HN1     2     1.02835    32.20793   143.22112
    3     1 S   H    _H1_     3     1.02792    90.57654   -92.86996
    4     1 S   H    _H2_     4     1.02924    87.91254    15.45725
    5     1 S   CT   _CA1     5     1.50188   142.82419   137.63405
    6     5 S   HC   _HA1     6     1.09569   105.10855    62.79016
    7     5 S   CO3  _C1_     7     1.53881   112.09236   -57.29220
    8     7 S   O2Z  _O11     8     1.26435   115.10630   -46.33361
    9     7 S   O2Z  _O12     9     1.26168   115.04312   132.39348
   10     5 S   CT   _CB1    10     1.53129   107.35301  -179.29612
   11    10 S   HC   HB11    11     1.09825   109.57372   -46.17667
   12    10 S   HC   HB12    12     1.09813   110.46723    70.55030
   13    10 S   CT   _CG1    13     1.52997   112.53009  -167.00196
   14    13 S   HC   HG11    14     1.09355   110.56403   -60.72212
   15    13 S   HC   HG12    15     1.09670   109.85483    58.07263
   16    13 S   C    _CD1    16     1.51926   112.26821   177.96039
   17    16 S   O    _OE1    17     1.22765   123.15837    -5.94363
   18    16 S   N    _N2_    18     1.38598   111.83343   175.47247
   19    18 S   H    _HN2    19     1.01654   118.81579    -2.35152
   20    18 S   CT1  _CA2    20     1.46336   123.58768   175.15426
   21    20 S   HC   _HA2    21     1.09735   109.39925     1.10074
   22    20 S   C    _C2_    22     1.53546   108.45254  -114.25206
   23    22 S   O    _O2_    23     1.23072   122.31747  -147.65103
   24    20 S   CT   _CB2    32     1.53347   111.53669   123.41331
   25    24 S   HC   HB21    33     1.09247   109.42766    55.35529
   26    24 S   HC   HB22    34     1.09505   110.79386   173.45632
   27    22 S   N    _N3_    24     1.38366   113.72057    39.96148
   28    27 S   H    _HN3    25     1.01595   119.56312    -3.73984
   29    24 S   S    _SG2    35     1.82705   111.12094   -67.78950
   30    27 S   CT   _CA3    26     1.45275   123.09739   176.97534
   31    30 S   HC   HA31    27     1.09552   107.58636   -62.76312
   32    30 S   HC   HA32    28     1.09562   107.86689    53.61546
   33    29 S   CT   _C20    36     1.85130   101.00298   143.42620
   34    33 S   HC   _H9_    37     1.09431   104.33850    53.92317
   35    30 S   CO3  _C3_    29     1.52929   114.20123   175.63520
   36    35 S   O2Z  _O31    30     1.26355   116.11726     1.82735
   37    35 S   O2Z  _O32    31     1.26439   114.38897  -178.16613
   38    33 S   CM   _C7_    38     1.54089   111.74598   -64.02978
   39    33 S   CT   _C21    85     1.53081   107.51993   167.48207
   40    39 S   HC   _H28    86     1.09418   113.43065    53.37464
   41    39 S   HC   _H29    87     1.09673   110.37631   -66.73654
   42    39 S   HC   _H30    88     1.09074   111.59861   174.59804
   43    38 S   CMA  _C8_    39     1.36966   123.69078   -55.09708
   44    43 S   OM   _O38    40     1.26825   125.90424   164.66378
   45    38 S   CT   _C6_    68     1.53292   114.48521   120.20539
   46    45 S   HC   _H13    69     1.09664   110.64354  -159.44731
   47    45 S   HC   _H14    70     1.09837   107.98256   -46.95172
   48    43 S   OS   _O33    41     1.40461   110.15804   -19.63379
   49    48 S   CT   _C9_    42     1.41440   120.48445  -177.69149
   50    49 S   HC   _H4_    43     1.09703   109.05484   -62.07502
   51    49 S   CT   _C10    44     1.52848   106.00896  -177.61714
   52    51 S   HC   _H15    45     1.09502   111.84386    72.96768
   53    51 S   HC   _H16    46     1.09714   110.84452   -45.98602
   54    51 S   CT   _C11    47     1.50477   104.27836  -165.42684
   55    54 S   HC   _H17    48     1.09357   114.27473   157.63044
   56    54 S   HC   _H18    49     1.09372   111.92211   -76.72139
   57    54 S   NP   _N4_    50     1.49749   103.34246    38.22787
   58    57 S   H    _H5_    51     1.03099   108.82203  -141.26591
   59    57 S   CT   _C19    52     1.50442   115.56256    96.99754
   60    59 S   HC   _H25    53     1.09327   107.53828    85.49666
   61    59 S   HC   _H26    54     1.09483   108.29800   -35.07328
   62    59 S   CT   _C18    55     1.51170   102.36709  -153.59334
   63    62 S   HC   _H8_    56     1.09381   111.93798   165.98672
   64    62 S   CT   _C13    57     1.53640   104.23760    42.09779
   65    64 S   HC   _H7_    58     1.09943   108.50621  -149.55991
   66    62 S   OH   _O37    83     1.42750   108.49436   -75.48355
   67    66 S   HO   _H27    84     0.97300   107.50583   177.20523
   68    64 S   CT   _C14    59     1.53505   111.28970    92.52950
   69    68 S   HC   _H19    60     1.09231   112.99268   -94.35865
   70    68 S   HC   _H20    61     1.09561   110.83570    27.76755
   71    49 S   CT   _C12    81     1.54235   119.65620    64.86108
   72    71 S   HC   _H6_    82     1.09814   108.22568  -109.70846
   73    68 S   OS   _O34    62     1.44470   106.56162   144.49236
   74    73 S   CO4  _C15    63     1.35646   119.47790  -166.66035
   75    74 S   O    _O35    64     1.22587   124.92935    -0.84858
   76    74 S   CT   _C16    65     1.53748   111.25926   178.33893
   77    76 S   CT   _C5_    66     1.56223   115.58824    95.10491
   78    77 S   HC   _H3_    67     1.10225   104.91639   176.15244
   79    76 S   CT   _C17    75     1.53263   111.94547   -34.71489
   80    79 S   HC   _H21    76     1.09618   110.81376  -169.86721
   81    79 S   HC   _H22    77     1.09142   112.98384    68.51943
   82    79 S   HC   _H23    78     1.09693   110.68158   -52.17025
   83    76 S   OH   _O36    79     1.44282   103.98226  -146.60534
   84    83 S   HO   _H24    80     0.97302   108.15319   -51.20231
   85    77 S   CT   _C4_    71     1.53689   113.14433    64.68383
   86    85 S   HC   _H10    72     1.09004   112.53359   -56.63662
   87    85 S   HC   _H11    73     1.09515   110.97346  -178.40836
   88    85 S   HC   _H12    74     1.09537   110.89452    63.63766
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   7   2   1   1  15   5   2   1   1  10   3  13   5   4  10
  16   8  11   6   5  11   5   4  12   7  11   6   5  11   6  10
   7   3   1   8   4   3   2   1   6  11   4  12  11   6   6   3
   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    48    77    45    46    47    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    48    49    76    77    78    45    46    47    85    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    48    49    50    51    77    45    46    47    71  
   48    49    45  
   46    47    85    86    87    88    79    83    48    74    76    77    78  
   47    85    76    77    78  
   85    76    77    78  
   49    50    51    52    53    54    57    64    71    72  
   50    51    52    53    54    55    56    57    58    59    62    64    65    68    71    72  
   51    52    53    54    57    64    71    72  
   52    53    54    55    56    57    58    59    64    71    72  
   53    54    55    56    57    71  
   54    55    56    57    71  
   55    56    57    58    59    60    61    62    64    71    72  
   56    57    58    59    71  
   57    58    59    71  
   58    59    60    61    62    63    64    65    68    71    72    66  
   59    60    61    62    64    71    72  
   60    61    62    63    64    65    68    71    72    66    67  
   61    62    63    64    71    66  
   62    63    64    71    66  
   63    64    65    68    69    70    73    71    72    66    67  
   64    65    68    71    66    67  
   65    68    69    70    73    74    71    72    66    67  
   68    69    70    73    71    72    66  
   67    68    71  
    0  
   69    70    73    74    75    76    71    72  
   70    73    74    71  
   73    74    71  
   72    73  
    0  
   74    75    76    77    79    83  
   75    76    77    78    85    79    80    81    82    83    84  
   76    77    79    83  
   77    78    85    86    87    88    79    80    81    82    83    84  
   78    85    86    87    88    79    80    81    82    83    84  
   85    86    87    88    79    83  
   80    81    82    83    84    85  
   81    82    83  
   82    83  
   83  
   84    85  
    0  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660   0.394400   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   58   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.6450   1.4500   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   1.6450   1.4500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   70   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.014400   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.5900   1.4000   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    48   440.000  1.360
   48    49   320.000  1.410
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    71   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   367.000  1.471
   57    58   434.000  1.010
   57    59   367.000  1.471
   57    71   367.000  1.471
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   340.000  1.090
   62    64   268.000  1.529
   62    66   320.000  1.410
   64    65   340.000  1.090
   64    68   268.000  1.529
   64    71   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   320.000  1.410
   73    74   214.000  1.327
   74    75   570.000  1.229
   74    76   317.000  1.522
   76    77   268.000  1.529
   76    79   268.000  1.529
   76    83   320.000  1.410
   77    78   340.000  1.090
   77    45   268.000  1.529
   77    85   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   553.000  0.945
   71    72   340.000  1.090
   66    67   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    48    80.00000  120.01400
   38    45    77    70.00000  112.02700
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   43    48    49    90.00000  111.18400
   48    43    44    65.00000  121.00000
   48    49    50    35.00000  109.50000
   48    49    51    50.00000  109.50000
   48    49    71    50.00000  109.50000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    54    58.35000  112.70000
   49    71    57    80.00000  111.20000
   49    71    64    58.35000  112.70000
   49    71    72    37.50000  110.70000
   51    49    50    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    80.00000  111.20000
   53    51    52    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    57    58    35.00000  109.50000
   54    57    59    75.00000  113.01200
   54    57    71    75.00000  113.01200
   56    54    55    33.00000  107.80000
   57    54    55    35.00000  109.50000
   57    54    56    35.00000  109.50000
   57    59    60    35.00000  109.50000
   57    59    61    35.00000  109.50000
   57    59    62    80.00000  111.20000
   57    71    64    80.00000  111.20000
   57    71    72    35.00000  109.50000
   59    57    58    35.00000  109.50000
   59    62    63    37.50000  110.70000
   59    62    64    58.35000  112.70000
   59    62    66    50.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    64    65    37.50000  110.70000
   62    64    68    58.35000  112.70000
   62    64    71    58.35000  112.70000
   62    66    67    55.00000  108.50000
   64    62    63    37.50000  110.70000
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    68    73    50.00000  109.50000
   64    71    72    37.50000  110.70000
   68    64    65    37.50000  110.70000
   68    73    74    83.00000  116.90000
   70    68    69    33.00000  107.80000
   73    68    69    35.00000  109.50000
   73    68    70    35.00000  109.50000
   73    74    75    83.00000  123.40000
   73    74    76    81.00000  111.40000
   74    76    77    63.00000  111.10000
   74    76    79    63.00000  111.10000
   74    76    83    90.00000  109.61100
   76    74    75    80.00000  120.40000
   76    77    78    37.50000  110.70000
   76    77    45    58.35000  112.70000
   76    77    85    58.35000  112.70000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    82    37.50000  110.70000
   76    83    84    55.00000  108.50000
   77    45    46    37.50000  110.70000
   77    45    47    37.50000  110.70000
   77    85    86    37.50000  110.70000
   77    85    87    37.50000  110.70000
   77    85    88    37.50000  110.70000
   45    38    43    70.00000  124.00000
   45    77    78    37.50000  110.70000
   47    45    46    33.00000  107.80000
   85    77    78    37.50000  110.70000
   85    77    45    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
   79    76    77    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    76    77    50.00000  109.50000
   83    76    79    50.00000  109.50000
   71    49    50    37.50000  110.70000
   71    49    51    58.35000  112.70000
   71    57    58    35.00000  109.50000
   71    57    59    75.00000  113.01200
   71    64    65    37.50000  110.70000
   71    64    68    58.35000  112.70000
   66    62    63    35.00000  109.50000
   66    62    64    50.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    38    45    77   0.46850  1.0 1.0
   33    38    45    77   0.08550 -1.0 2.0
   33    38    45    77   0.09800  1.0 3.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    48    49  -2.26850  1.0 1.0
   38    43    48    49   3.39050 -1.0 2.0
   43    38    45    77   0.09850  1.0 1.0
   43    38    45    77   0.15250 -1.0 2.0
   43    38    45    77  -0.50650  1.0 3.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    48    49    50   0.08050  1.0 3.0
   43    48    49    51  -0.46850  1.0 1.0
   43    48    49    51   0.09300 -1.0 2.0
   43    48    49    51  -0.12850  1.0 3.0
   43    48    49    71  -0.46850  1.0 1.0
   43    48    49    71   0.09300 -1.0 2.0
   43    48    49    71  -0.12850  1.0 3.0
   44    43    48    49   2.00000 -1.0 2.0
   48    49    51    52   0.23400  1.0 3.0
   48    49    51    53   0.23400  1.0 3.0
   48    49    51    54   0.62750  1.0 1.0
   48    49    51    54  -0.30950 -1.0 2.0
   48    49    51    54   0.27300  1.0 3.0
   48    49    71    57   1.69300  1.0 1.0
   48    49    71    57  -0.48450 -1.0 2.0
   48    49    71    64   0.62750  1.0 1.0
   48    49    71    64  -0.30950 -1.0 2.0
   48    49    71    64   0.27300  1.0 3.0
   48    49    71    72   0.23400  1.0 3.0
   49    51    54    55   0.15000  1.0 3.0
   49    51    54    56   0.15000  1.0 3.0
   49    51   -54    57   1.36600  1.0 1.0
   49    51   -54    57  -0.11450 -1.0 2.0
   49    51   -54    57   0.24250  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    54   0.15000  1.0 3.0
   50    49    71    57   0.19200  1.0 3.0
   50    49    71    64   0.15000  1.0 3.0
   50    49    71    72   0.15000  1.0 3.0
   51    49   -71    57   1.36600  1.0 1.0
   51    49   -71    57  -0.11450 -1.0 2.0
   51    49   -71    57   0.24250  1.0 3.0
   51    49    71    64   0.56750  1.0 1.0
   51    49    71    64  -0.07550 -1.0 2.0
   51    49    71    64   0.20000  1.0 3.0
   51    49    71    72   0.15000  1.0 3.0
   51    54    57    58   0.17350  1.0 3.0
   51    54    57    59   0.47100  1.0 1.0
   51    54   -57    71   0.47100  1.0 1.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.19200  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    56   0.15000  1.0 3.0
   53    51    54    57   0.19200  1.0 3.0
   54    57    59    60   0.15000  1.0 3.0
   54    57    59    61   0.15000  1.0 3.0
   54    57    59    62   0.47100  1.0 1.0
   54    57   -71    49   0.47100  1.0 1.0
   54    57    71    64   0.47100  1.0 1.0
   54    57    71    72   0.15000  1.0 3.0
   55    54    57    58   0.13050  1.0 3.0
   55    54    57    59   0.15000  1.0 3.0
   55    54    57    71   0.15000  1.0 3.0
   56    54    57    58   0.13050  1.0 3.0
   56    54    57    59   0.15000  1.0 3.0
   56    54    57    71   0.15000  1.0 3.0
   57    59    62    63   0.19200  1.0 3.0
   57    59   -62    64   1.36600  1.0 1.0
   57    59   -62    64  -0.11450 -1.0 2.0
   57    59   -62    64   0.24250  1.0 3.0
   57    59    62    66   1.69300  1.0 1.0
   57    59    62    66  -0.48450 -1.0 2.0
   58    57    59    60   0.13050  1.0 3.0
   58    57    59    61   0.13050  1.0 3.0
   58    57    59    62   0.17350  1.0 3.0
   58    57    71    49   0.17350  1.0 3.0
   58    57    71    64   0.17350  1.0 3.0
   58    57    71    72   0.13050  1.0 3.0
   59    57    71    49   0.47100  1.0 1.0
   59    57   -71    64   0.47100  1.0 1.0
   59    57    71    72   0.15000  1.0 3.0
   59    62    64    65   0.15000  1.0 3.0
   59    62    64    68   0.56750  1.0 1.0
   59    62    64    68  -0.07550 -1.0 2.0
   59    62    64    68   0.20000  1.0 3.0
   59    62   -64    71   0.56750  1.0 1.0
   59    62   -64    71  -0.07550 -1.0 2.0
   59    62   -64    71   0.20000  1.0 3.0
   59    62    66    67  -0.11600  1.0 1.0
   59    62    66    67  -0.09450 -1.0 2.0
   59    62    66    67   0.21250  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64   0.15000  1.0 3.0
   60    59    62    66   0.23400  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    64   0.15000  1.0 3.0
   61    59    62    66   0.23400  1.0 3.0
   62    64    68    69   0.15000  1.0 3.0
   62    64    68    70   0.15000  1.0 3.0
   62    64    68    73   0.62750  1.0 1.0
   62    64    68    73  -0.30950 -1.0 2.0
   62    64    68    73   0.27300  1.0 3.0
   62    64    71    49   0.56750  1.0 1.0
   62    64    71    49  -0.07550 -1.0 2.0
   62    64    71    49   0.20000  1.0 3.0
   62    64   -71    57   1.36600  1.0 1.0
   62    64   -71    57  -0.11450 -1.0 2.0
   62    64   -71    57   0.24250  1.0 3.0
   62    64    71    72   0.15000  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    68   0.15000  1.0 3.0
   63    62    64    71   0.15000  1.0 3.0
   63    62    66    67   0.19450  1.0 3.0
   64    62    66    67  -0.11600  1.0 1.0
   64    62    66    67  -0.09450 -1.0 2.0
   64    62    66    67   0.21250  1.0 3.0
   64    68    73    74  -0.25900  1.0 1.0
   64    68    73    74  -0.47000 -1.0 2.0
   64    68    73    74   0.11750  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    70   0.15000  1.0 3.0
   65    64    68    73   0.23400  1.0 3.0
   65    64    71    49   0.15000  1.0 3.0
   65    64    71    57   0.19200  1.0 3.0
   65    64    71    72   0.15000  1.0 3.0
   68    64    71    49   0.56750  1.0 1.0
   68    64    71    49  -0.07550 -1.0 2.0
   68    64    71    49   0.20000  1.0 3.0
   68    64    71    57   1.36600  1.0 1.0
   68    64    71    57  -0.11450 -1.0 2.0
   68    64    71    57   0.24250  1.0 3.0
   68    64    71    72   0.15000  1.0 3.0
   68    73    74    75   3.00000 -1.0 2.0
   68    73    74    76   1.63150  1.0 1.0
   68    73    74    76   2.92000 -1.0 2.0
   69    68    73    74   0.08050  1.0 3.0
   70    68    73    74   0.08050  1.0 3.0
   73    74    76    77   0.36750  1.0 3.0
   73    74    76    79   0.36750  1.0 3.0
   73    74    76    83   0.30750  1.0 1.0
   73    74    76    83   1.13850 -1.0 2.0
   73    74    76    83   0.38850  1.0 3.0
   74    76    77    78  -0.11250  1.0 3.0
   74    76    77    45  -0.95700  1.0 1.0
   74    76    77    45  -0.18200 -1.0 2.0
   74    76    77    45   0.29450  1.0 3.0
   74    76    77    85  -0.95700  1.0 1.0
   74    76    77    85  -0.18200 -1.0 2.0
   74    76    77    85   0.29450  1.0 3.0
   74    76    79    80  -0.11250  1.0 3.0
   74    76    79    81  -0.11250  1.0 3.0
   74    76    79    82  -0.11250  1.0 3.0
   74    76    83    84   0.91850  1.0 1.0
   74    76    83    84   0.57950  1.0 3.0
   75    74    76    77   0.30150 -1.0 2.0
   75    74    76    79   0.30150 -1.0 2.0
   75    74    76    83   0.30150 -1.0 2.0
   76    77    45    38   0.34400  1.0 1.0
   76    77    45    38   0.09450 -1.0 2.0
   76    77    45    38   0.11100  1.0 3.0
   76    77    45    46   0.15000  1.0 3.0
   76    77    45    47   0.15000  1.0 3.0
   76    77    85    86   0.15000  1.0 3.0
   76    77    85    87   0.15000  1.0 3.0
   76    77    85    88   0.15000  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    82   0.15000  1.0 3.0
   77    76    83    84  -0.11600  1.0 1.0
   77    76    83    84  -0.09450 -1.0 2.0
   77    76    83    84   0.21250  1.0 3.0
   78    77    45    38   0.15000  1.0 3.0
   78    77    45    46   0.15000  1.0 3.0
   78    77    45    47   0.15000  1.0 3.0
   78    77    85    86   0.15000  1.0 3.0
   78    77    85    87   0.15000  1.0 3.0
   78    77    85    88   0.15000  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    48   7.00000 -1.0 2.0
   45    77    85    86   0.15000  1.0 3.0
   45    77    85    87   0.15000  1.0 3.0
   45    77    85    88   0.15000  1.0 3.0
   85    77    45    38   0.34400  1.0 1.0
   85    77    45    38   0.09450 -1.0 2.0
   85    77    45    38   0.11100  1.0 3.0
   85    77    45    46   0.15000  1.0 3.0
   85    77    45    47   0.15000  1.0 3.0
   79    76    77    78   0.15000  1.0 3.0
   79    76    77    45   0.56750  1.0 1.0
   79    76    77    45  -0.07550 -1.0 2.0
   79    76    77    45   0.20000  1.0 3.0
   79    76    77    85   0.56750  1.0 1.0
   79    76    77    85  -0.07550 -1.0 2.0
   79    76    77    85   0.20000  1.0 3.0
   79    76    83    84  -0.11600  1.0 1.0
   79    76    83    84  -0.09450 -1.0 2.0
   79    76    83    84   0.21250  1.0 3.0
   83    76    77    78   0.23400  1.0 3.0
   83    76    77    45   0.86500  1.0 1.0
   83    76    77    45  -0.17500 -1.0 2.0
   83    76    77    45   0.20800  1.0 3.0
   83    76    77    85   0.86500  1.0 1.0
   83    76    77    85  -0.17500 -1.0 2.0
   83    76    77    85   0.20800  1.0 3.0
   83    76    79    80   0.23400  1.0 3.0
   83    76    79    81   0.23400  1.0 3.0
   83    76    79    82   0.23400  1.0 3.0
   71    49    51    52   0.15000  1.0 3.0
   71    49    51    53   0.15000  1.0 3.0
   71    49   -51    54   0.56750  1.0 1.0
   71    49   -51    54  -0.07550 -1.0 2.0
   71    49   -51    54   0.20000  1.0 3.0
   71    57    59    60   0.15000  1.0 3.0
   71    57    59    61   0.15000  1.0 3.0
   71    57   -59    62   0.47100  1.0 1.0
   71    64    68    69   0.15000  1.0 3.0
   71    64    68    70   0.15000  1.0 3.0
   71    64    68    73   0.62750  1.0 1.0
   71    64    68    73  -0.30950 -1.0 2.0
   71    64    68    73   0.27300  1.0 3.0
   66    62    64    65   0.23400  1.0 3.0
   66    62    64    68   0.86500  1.0 1.0
   66    62    64    68  -0.17500 -1.0 2.0
   66    62    64    68   0.20800  1.0 3.0
   66    62    64    71   0.86500  1.0 1.0
   66    62    64    71  -0.17500 -1.0 2.0
   66    62    64    71   0.20800  1.0 3.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    45    38    43   1.10000 -1.0 2.0
   44    48    43    38   1.10000 -1.0 2.0
   73    76    74    75  10.50000 -1.0 2.0
END
