* LIGAND DATABASE FILE (OPLS2005)
*
001      89    89    164    250     486
    1     0 S   NP   _N1_     1    28.59700    97.29814   -23.27134
    2     1 S   H    _HN1     2     1.02785   102.46809   -88.24547
    3     1 S   H    _H1_     3     1.02950    68.14750    16.75803
    4     1 S   H    _H2_     4     1.02830    43.44847   168.81440
    5     1 S   CT   _CA1     5     1.50104   143.07182   112.02590
    6     5 S   HC   _HA1     6     1.09572   105.21338    97.19731
    7     5 S   CO3  _C1_     7     1.53800   112.46188   -23.07410
    8     7 S   O2Z  _O11     8     1.26371   115.00852   -42.75214
    9     7 S   O2Z  _O12     9     1.26241   114.94939   136.44150
   10     5 S   CT   _CB1    10     1.53088   107.43223  -144.79670
   11    10 S   HC   HB11    11     1.09831   109.41309   -49.72614
   12    10 S   HC   HB12    12     1.09814   110.42985    66.89421
   13    10 S   CT   _CG1    13     1.52980   112.58143  -170.70819
   14    13 S   HC   HG11    14     1.09586   110.60394   -64.74141
   15    13 S   HC   HG12    15     1.09668   109.81392    54.48054
   16    13 S   C    _CD1    16     1.51795   112.28717   174.96386
   17    16 S   O    _OE1    17     1.22724   123.29597     5.32149
   18    16 S   N    _N2_    18     1.38636   111.60079  -174.80310
   19    18 S   H    _HN2    19     1.01578   118.97553     1.97140
   20    18 S   CT1  _CA2    20     1.46228   123.47540   178.21897
   21    20 S   HC   _HA2    21     1.09746   109.31205     2.15195
   22    20 S   C    _C2_    22     1.53570   108.92467  -113.25184
   23    22 S   O    _O2_    23     1.23051   122.31938  -150.32619
   24    20 S   CT   _CB2    32     1.53299   111.36174   124.04225
   25    24 S   HC   HB21    33     1.09584   110.14327    54.72871
   26    24 S   HC   HB22    34     1.09305   110.03010   173.83315
   27    22 S   N    _N3_    24     1.38338   113.74243    37.29936
   28    27 S   H    _HN3    25     1.01576   119.56089    -3.50989
   29    24 S   S    _SG2    35     1.82893   111.25665   -66.08123
   30    27 S   CT   _CA3    26     1.45273   123.18258   176.96914
   31    30 S   HC   HA31    27     1.09551   107.52743   -64.14299
   32    30 S   HC   HA32    28     1.09557   107.96839    52.29129
   33    29 S   CT   _C11    36     1.84692    99.57281   175.08116
   34    33 S   HC   _H3_    37     1.09528   107.55828   -44.02328
   35    30 S   CO3  _C3_    29     1.52947   114.08527   174.28159
   36    35 S   O2Z  _O31    30     1.26376   116.07090    -0.49059
   37    35 S   O2Z  _O32    31     1.26429   114.41223   179.56614
   38    33 S   CM   _C10    38     1.51522   107.28900    76.43848
   39    38 S   HC   _H18    39     1.08979   115.53499    64.70521
   40    33 S   CT   _C12    58     1.55731   110.42168  -162.77327
   41    40 S   HC   _H4_    59     1.09906   108.32867   -59.84028
   42    38 S   CMA  _C9_    40     1.35236   125.70714  -116.73882
   43    42 S   OM   _O37    41     1.26225   131.05614     0.45671
   44    40 S   CT   _C16    60     1.56033   111.71119   179.70926
   45    44 S   HC   _H6_    61     1.09382   111.49193    17.25257
   46    42 S   CT   _C8_    42     1.53246   116.92460  -177.11378
   47    46 S   HC   _H16    43     1.09940   110.25745    18.01580
   48    46 S   HC   _H17    44     1.10065   109.79661   132.39324
   49    44 S   CO4  _C15    62     1.51766   102.53029   -97.65248
   50    49 S   O    _O33    63     1.22566   124.06217   172.98566
   51    44 S   CT   _C17    71     1.53301   112.59377   142.36589
   52    51 S   HC   _H21    72     1.09676   111.11886    74.25334
   53    51 S   HC   _H22    73     1.09661   110.34025   -42.93773
   54    46 S   CT   _C7_    45     1.53902   115.15524  -104.65465
   55    54 S   HC   _H14    46     1.09741   108.02953  -174.46700
   56    54 S   HC   _H15    47     1.09687   110.18720   -58.50906
   57    49 S   CT   _C14    64     1.50354   112.81865    -5.98163
   58    57 S   HC   _H19    65     1.09349   108.42768   102.01904
   59    57 S   HC   _H20    66     1.09279   110.21427  -135.92168
   60    51 S   CM   _C18    74     1.50436   112.23444  -164.83072
   61    60 S   HC   _H23    75     1.08812   116.04378   -94.44720
   62    54 S   CT   _C6_    48     1.53101   113.19824    64.83115
   63    62 S   HC   _H12    49     1.09676   109.58615    56.05355
   64    62 S   HC   _H13    50     1.09460   110.09243   -61.62181
   65    40 S   CT   _C13    67     1.54263   113.71794    62.62470
   66    65 S   HC   _H5_    68     1.09241   114.72978   -37.64016
   67    60 S   CM   _C19    76     1.34269   126.06931    86.34085
   68    67 S   HC   _H24    77     1.08837   117.71587   179.11818
   69    62 S   CT   _C5_    51     1.52869   111.33751   177.44656
   70    69 S   HC   _H10    52     1.09615   109.89346   -59.94692
   71    69 S   HC   _H11    53     1.09624   109.86771    57.85068
   72    65 S   OH   _O36    69     1.42765   109.83312  -158.02041
   73    72 S   HO   _H31    70     0.97278   107.28543    65.20600
   74    67 S   CT   _C20    78     1.50322   126.53231    -3.12656
   75    74 S   HC   _H25    79     1.09627   107.94831  -126.96366
   76    74 S   HC   _H26    80     1.09485   111.39208   -10.89300
   77    69 S   CT   _C4_    54     1.52052   111.40050   178.86254
   78    77 S   HC   _H7_    55     1.09487   110.98429   -60.31692
   79    77 S   HC   _H8_    56     1.09447   110.26600   179.95154
   80    77 S   HC   _H9_    57     1.09467   111.00030    60.18630
   81    74 S   CT   _C21    81     1.53054   111.45510   111.75968
   82    81 S   HC   _H27    82     1.09698   110.10634    58.84196
   83    81 S   HC   _H28    83     1.09765   109.21143   -57.88100
   84    81 S   CT   _C22    84     1.52680   112.07996  -177.95665
   85    84 S   HC   _H29    85     1.09730   108.51276   171.03542
   86    84 S   HC   _H30    86     1.09727   109.43894    54.90415
   87    84 S   CO3  _C23    87     1.53203   116.36288   -69.16405
   88    87 S   O2Z  _O35    88     1.26173   116.29490   -24.64410
   89    87 S   O2Z  _O34    89     1.26465   114.30181   156.25903
  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
  16   7   2   1   1  11   4  17   8   8   4  15   8   9   5   4
  11   5   9   4   3   9   5   4   6   4   3   7   3   9   5   4
   3   2   8   4   6   5   4   1   1   9   5   4   3   2   1   1
   8   5   4   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44    65  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    40    41    44    45    49    57    65    66    72    51  
   38    39    42    40    41    44    65  
   36    37  
   37  
    0  
   39    42    43    46    47    48    54    40    41    44    65  
   42    43    46    40  
   41    44    45    49    50    57    58    59    65    66    72    73    51    52    53    60    42  
   44    45    49    57    65    66    72    51  
   43    46    47    48    54    55    56    62  
   46    47    48    54  
   45    49    50    57    58    59    65    66    72    51    52    53    60    61    67  
   49    50    57    65    51    52    53    60  
   47    48    54    55    56    62    63    64    69  
   48    54    55    56    62  
   54    55    56    62  
   50    57    58    59    65    66    72    51    52    53    60  
   57    58    59    65    51  
   52    53    60    61    67    68    74    57    65  
   53    60    61    67  
   60    61    67  
   55    56    62    63    64    69    70    71    77  
   56    62    63    64    69  
   62    63    64    69  
   58    59    65    66    72    73  
   59    65    66    72  
   65    66    72  
   61    67    68    74    75    76    81  
   67    68    74  
   63    64    69    70    71    77    78    79    80  
   64    69    70    71    77  
   69    70    71    77  
   66    72    73  
   72    73  
   68    74    75    76    81    82    83    84  
   74    75    76    81  
   70    71    77    78    79    80  
   71    77    78    79    80  
   77    78    79    80  
   73  
    0  
   75    76    81    82    83    84    85    86    87  
   76    81    82    83    84  
   81    82    83    84  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84    85    86    87    88    89  
   83    84    85    86    87  
   84    85    86    87  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    46   270.000  1.512
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    65   268.000  1.529
   44    45   340.000  1.090
   44    49   317.000  1.522
   44    51   268.000  1.529
   49    50   570.000  1.229
   49    57   317.000  1.522
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    65   268.000  1.529
   65    66   340.000  1.090
   65    72   320.000  1.410
   72    73   553.000  0.945
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    60   317.000  1.510
   60    61   340.000  1.080
   60    67   549.000  1.340
   67    68   340.000  1.080
   67    74   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   317.000  1.522
   87    88   656.000  1.250
   87    89   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   33    40    65    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    46    65.00000  122.18000
   42    38    39    40.00000  120.50800
   42    46    47    45.00000  110.52000
   42    46    48    45.00000  110.52000
   42    46    54    70.00000  112.02700
   46    42    43    85.00000  112.85300
   46    54    55    37.50000  110.70000
   46    54    56    37.50000  110.70000
   46    54    62    58.35000  112.70000
   48    46    47    33.00000  107.80000
   54    46    47    37.50000  110.70000
   54    46    48    37.50000  110.70000
   54    62    63    37.50000  110.70000
   54    62    64    37.50000  110.70000
   54    62    69    58.35000  112.70000
   56    54    55    33.00000  107.80000
   62    54    55    37.50000  110.70000
   62    54    56    37.50000  110.70000
   62    69    70    37.50000  110.70000
   62    69    71    37.50000  110.70000
   62    69    77    58.35000  112.70000
   64    62    63    33.00000  107.80000
   69    62    63    37.50000  110.70000
   69    62    64    37.50000  110.70000
   69    77    78    37.50000  110.70000
   69    77    79    37.50000  110.70000
   69    77    80    37.50000  110.70000
   71    69    70    33.00000  107.80000
   77    69    70    37.50000  110.70000
   77    69    71    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    44    45    37.50000  110.70000
   40    44    49    63.00000  111.10000
   40    44    51    58.35000  112.70000
   40    65    57    58.35000  112.70000
   40    65    66    37.50000  110.70000
   40    65    72    50.00000  109.50000
   44    40    41    37.50000  110.70000
   44    49    50    80.00000  120.40000
   44    49    57    70.00000  116.00000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    60    70.00000  112.02700
   49    44    45    35.00000  109.50000
   49    57    58    35.00000  109.50000
   49    57    59    35.00000  109.50000
   49    57    65    63.00000  111.10000
   57    49    50    80.00000  120.40000
   57    65    66    37.50000  110.70000
   57    65    72    50.00000  109.50000
   59    57    58    33.00000  107.80000
   65    40    41    37.50000  110.70000
   65    40    44    58.35000  112.70000
   65    57    58    37.50000  110.70000
   65    57    59    37.50000  110.70000
   65    72    73    55.00000  108.50000
   72    65    66    35.00000  109.50000
   51    44    45    37.50000  110.70000
   51    44    49    63.00000  111.10000
   51    60    61    35.00000  117.00000
   51    60    67    70.00000  124.00000
   53    51    52    33.00000  107.80000
   60    51    52    35.00000  109.50000
   60    51    53    35.00000  109.50000
   60    67    68    35.00000  120.00000
   60    67    74    70.00000  124.00000
   67    60    61    35.00000  120.00000
   67    74    75    35.00000  109.50000
   67    74    76    35.00000  109.50000
   67    74    81    70.00000  112.02700
   74    67    68    35.00000  117.00000
   74    81    82    37.50000  110.70000
   74    81    83    37.50000  110.70000
   74    81    84    58.35000  112.70000
   76    74    75    33.00000  107.80000
   81    74    75    37.50000  110.70000
   81    74    76    37.50000  110.70000
   81    84    85    37.50000  110.70000
   81    84    86    37.50000  110.70000
   81    84    87    70.00000  109.69300
   83    81    82    33.00000  107.80000
   84    81    82    37.50000  110.70000
   84    81    83    37.50000  110.70000
   84    87    88    70.00000  117.00000
   84    87    89    70.00000  117.00000
   86    84    85    33.00000  107.80000
   87    84    85    35.00000  109.50000
   87    84    86    35.00000  109.50000
   89    87    88    80.00000  126.00000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   29    33    40    65   0.44750  1.0 1.0
   29    33    40    65  -0.17800 -1.0 2.0
   29    33    40    65   0.20200  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    49  -0.95700  1.0 1.0
   33    40    44    49  -0.18200 -1.0 2.0
   33    40    44    49   0.29450  1.0 3.0
   33    40    44    51   0.56750  1.0 1.0
   33    40    44    51  -0.07550 -1.0 2.0
   33    40    44    51   0.20000  1.0 3.0
   33    40    65    57   0.56750  1.0 1.0
   33    40    65    57  -0.07550 -1.0 2.0
   33    40    65    57   0.20000  1.0 3.0
   33    40    65    66   0.15000  1.0 3.0
   33    40    65    72   0.86500  1.0 1.0
   33    40    65    72  -0.17500 -1.0 2.0
   33    40    65    72   0.20800  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   34    33    40    65   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.34400  1.0 1.0
   38    33    40    44   0.09450 -1.0 2.0
   38    33    40    44   0.11100  1.0 3.0
   38    33    40    65   0.34400  1.0 1.0
   38    33    40    65   0.09450 -1.0 2.0
   38    33    40    65   0.11100  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    54   0.09850  1.0 1.0
   38    42    46    54   0.15250 -1.0 2.0
   38    42    46    54  -0.50650  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   42    46    54    55   0.15000  1.0 3.0
   42    46    54    56   0.15000  1.0 3.0
   42    46    54    62   0.34400  1.0 1.0
   42    46    54    62   0.09450 -1.0 2.0
   42    46    54    62   0.11100  1.0 3.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    48   0.00000  1.0 1.0
   43    42    46    54   0.09700  1.0 1.0
   43    42    46    54   0.15600 -1.0 2.0
   43    42    46    54  -0.50800  1.0 3.0
   46    54    62    63   0.15000  1.0 3.0
   46    54    62    64   0.15000  1.0 3.0
   46    54    62    69   0.56750  1.0 1.0
   46    54    62    69  -0.07550 -1.0 2.0
   46    54    62    69   0.20000  1.0 3.0
   47    46    54    55   0.15000  1.0 3.0
   47    46    54    56   0.15000  1.0 3.0
   47    46    54    62   0.15000  1.0 3.0
   48    46    54    55   0.15000  1.0 3.0
   48    46    54    56   0.15000  1.0 3.0
   48    46    54    62   0.15000  1.0 3.0
   54    62    69    70   0.15000  1.0 3.0
   54    62    69    71   0.15000  1.0 3.0
   54    62    69    77   0.56750  1.0 1.0
   54    62    69    77  -0.07550 -1.0 2.0
   54    62    69    77   0.20000  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    64   0.15000  1.0 3.0
   55    54    62    69   0.15000  1.0 3.0
   56    54    62    63   0.15000  1.0 3.0
   56    54    62    64   0.15000  1.0 3.0
   56    54    62    69   0.15000  1.0 3.0
   62    69    77    78   0.15000  1.0 3.0
   62    69    77    79   0.15000  1.0 3.0
   62    69    77    80   0.15000  1.0 3.0
   63    62    69    70   0.15000  1.0 3.0
   63    62    69    71   0.15000  1.0 3.0
   63    62    69    77   0.15000  1.0 3.0
   64    62    69    70   0.15000  1.0 3.0
   64    62    69    71   0.15000  1.0 3.0
   64    62    69    77   0.15000  1.0 3.0
   70    69    77    78   0.15000  1.0 3.0
   70    69    77    79   0.15000  1.0 3.0
   70    69    77    80   0.15000  1.0 3.0
   71    69    77    78   0.15000  1.0 3.0
   71    69    77    79   0.15000  1.0 3.0
   71    69    77    80   0.15000  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42   0.09850  1.0 1.0
   40    33    38    42   0.15250 -1.0 2.0
   40    33    38    42  -0.50650  1.0 3.0
   40    44    49    50   0.30150 -1.0 2.0
   40    44   -49    57   0.60050  1.0 1.0
   40    44   -49    57   0.05600 -1.0 2.0
   40    44   -49    57   0.26150  1.0 3.0
   40    44    51    52   0.15000  1.0 3.0
   40    44    51    53   0.15000  1.0 3.0
   40    44    51    60   0.34400  1.0 1.0
   40    44    51    60   0.09450 -1.0 2.0
   40    44    51    60   0.11100  1.0 3.0
   40    65    72    73  -0.11600  1.0 1.0
   40    65    72    73  -0.09450 -1.0 2.0
   40    65    72    73   0.21250  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    49  -0.11250  1.0 3.0
   41    40    44    51   0.15000  1.0 3.0
   41    40    65    57   0.15000  1.0 3.0
   41    40    65    66   0.15000  1.0 3.0
   41    40    65    72   0.23400  1.0 3.0
   44    40   -65    57   0.56750  1.0 1.0
   44    40   -65    57  -0.07550 -1.0 2.0
   44    40   -65    57   0.20000  1.0 3.0
   44    40    65    66   0.15000  1.0 3.0
   44    40    65    72   0.86500  1.0 1.0
   44    40    65    72  -0.17500 -1.0 2.0
   44    40    65    72   0.20800  1.0 3.0
   44    49    57    58   0.00000  1.0 1.0
   44    49    57    59   0.00000  1.0 1.0
   44    49   -57    65   0.60050  1.0 1.0
   44    49   -57    65   0.05600 -1.0 2.0
   44    49   -57    65   0.26150  1.0 3.0
   44    51    60    61   0.00000  1.0 1.0
   44    51    60    67   0.09850  1.0 1.0
   44    51    60    67   0.15250 -1.0 2.0
   44    51    60    67  -0.50650  1.0 3.0
   45    44    49    50   0.00000  1.0 1.0
   45    44    49    57   0.00000  1.0 1.0
   45    44    51    52   0.15000  1.0 3.0
   45    44    51    53   0.15000  1.0 3.0
   45    44    51    60   0.15000  1.0 3.0
   49    44    51    52  -0.11250  1.0 3.0
   49    44    51    53  -0.11250  1.0 3.0
   49    44    51    60  -0.98800  1.0 1.0
   49    44    51    60   0.48800 -1.0 2.0
   49    44    51    60   0.76800  1.0 3.0
   49    57   -65    40  -0.95700  1.0 1.0
   49    57   -65    40  -0.18200 -1.0 2.0
   49    57   -65    40   0.29450  1.0 3.0
   49    57    65    66  -0.11250  1.0 3.0
   49    57    65    72  -0.09450  1.0 1.0
   49    57    65    72  -1.12950 -1.0 2.0
   49    57    65    72   0.54000  1.0 3.0
   50    49    57    58   0.00000  1.0 1.0
   50    49    57    59   0.00000  1.0 1.0
   50    49    57    65   0.30150 -1.0 2.0
   57    65    72    73  -0.11600  1.0 1.0
   57    65    72    73  -0.09450 -1.0 2.0
   57    65    72    73   0.21250  1.0 3.0
   58    57    65    40   0.15000  1.0 3.0
   58    57    65    66   0.15000  1.0 3.0
   58    57    65    72   0.23400  1.0 3.0
   59    57    65    40   0.15000  1.0 3.0
   59    57    65    66   0.15000  1.0 3.0
   59    57    65    72   0.23400  1.0 3.0
   65    40    44    45   0.15000  1.0 3.0
   65    40   -44    49  -0.95700  1.0 1.0
   65    40   -44    49  -0.18200 -1.0 2.0
   65    40   -44    49   0.29450  1.0 3.0
   65    40    44    51   0.56750  1.0 1.0
   65    40    44    51  -0.07550 -1.0 2.0
   65    40    44    51   0.20000  1.0 3.0
   66    65    72    73   0.19450  1.0 3.0
   51    44    49    50   0.30150 -1.0 2.0
   51    44    49    57   0.60050  1.0 1.0
   51    44    49    57   0.05600 -1.0 2.0
   51    44    49    57   0.26150  1.0 3.0
   51    60    67    68   7.00000 -1.0 2.0
   51    60    67    74   7.00000 -1.0 2.0
   52    51    60    61   0.33100  1.0 3.0
   52    51    60    67   0.00000  1.0 1.0
   53    51    60    61   0.33100  1.0 3.0
   53    51    60    67   0.00000  1.0 1.0
   60    67    74    75   0.00000  1.0 1.0
   60    67    74    76   0.00000  1.0 1.0
   60    67    74    81   0.09850  1.0 1.0
   60    67    74    81   0.15250 -1.0 2.0
   60    67    74    81  -0.50650  1.0 3.0
   61    60    67    68   7.00000 -1.0 2.0
   61    60    67    74   7.00000 -1.0 2.0
   67    74    81    82   0.15000  1.0 3.0
   67    74    81    83   0.15000  1.0 3.0
   67    74    81    84   0.34400  1.0 1.0
   67    74    81    84   0.09450 -1.0 2.0
   67    74    81    84   0.11100  1.0 3.0
   68    67    74    75   0.33100  1.0 3.0
   68    67    74    76   0.33100  1.0 3.0
   68    67    74    81   0.00000  1.0 1.0
   74    81    84    85   0.15000  1.0 3.0
   74    81    84    86   0.15000  1.0 3.0
   74    81    84    87  -1.63150  1.0 1.0
   74    81    84    87  -0.43550 -1.0 2.0
   74    81    84    87   0.24500  1.0 3.0
   75    74    81    82   0.15000  1.0 3.0
   75    74    81    83   0.15000  1.0 3.0
   75    74    81    84   0.15000  1.0 3.0
   76    74    81    82   0.15000  1.0 3.0
   76    74    81    83   0.15000  1.0 3.0
   76    74    81    84   0.15000  1.0 3.0
   81    84    87    88   0.41150 -1.0 2.0
   81    84    87    89   0.41150 -1.0 2.0
   82    81    84    85   0.15000  1.0 3.0
   82    81    84    86   0.15000  1.0 3.0
   82    81    84    87  -0.11250  1.0 3.0
   83    81    84    85   0.15000  1.0 3.0
   83    81    84    86   0.15000  1.0 3.0
   83    81    84    87  -0.11250  1.0 3.0
   85    84    87    88   0.00000  1.0 1.0
   85    84    87    89   0.00000  1.0 1.0
   86    84    87    88   0.00000  1.0 1.0
   86    84    87    89   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42  15.00000 -1.0 2.0
   46    43    42    38  15.00000 -1.0 2.0
   44    57    49    50  10.50000 -1.0 2.0
   51    61    60    67  15.00000 -1.0 2.0
   74    68    67    60  15.00000 -1.0 2.0
   88    84    87    89  10.50000 -1.0 2.0
END
