* LIGAND DATABASE FILE (OPLS2005)
*
001      85    86    151    224     434
    1     0 S   NP   _N1_     1    28.96513    95.62186   -23.74648
    2     1 S   H    _HN1     2     1.02825    29.74524   152.67875
    3     1 S   H    _H1_     3     1.02783   107.95078  -112.50982
    4     1 S   H    _H2_     4     1.02945    79.29224    -6.48322
    5     1 S   CT   _CA1     5     1.50113   132.24653   101.43754
    6     5 S   HC   _HA1     6     1.09572   105.19362    83.76354
    7     5 S   CO3  _C1_     7     1.53806   112.36712   -36.48597
    8     7 S   O2Z  _O11     8     1.26383   114.99690   -44.06722
    9     7 S   O2Z  _O12     9     1.26228   114.96867   134.94547
   10     5 S   CT   _CB1    10     1.53078   107.40752  -158.24264
   11    10 S   HC   HB11    11     1.09833   109.46301   -49.15507
   12    10 S   HC   HB12    12     1.09807   110.47093    67.51400
   13    10 S   CT   _CG1    13     1.52937   112.49309  -170.05349
   14    13 S   HC   HG11    14     1.09586   110.68417   -65.09754
   15    13 S   HC   HG12    15     1.09682   109.73787    54.07476
   16    13 S   C    _CD1    16     1.51810   112.21793   174.61802
   17    16 S   O    _OE1    17     1.22717   123.40514     8.95649
   18    16 S   N    _N2_    18     1.38563   111.55055  -171.16384
   19    18 S   H    _HN2    19     1.01748   118.68301     0.94543
   20    18 S   CT1  _CA2    20     1.46150   123.68177   178.61464
   21    20 S   HC   _HA2    21     1.09730   108.90535    15.39397
   22    20 S   C    _C2_    22     1.53747   111.09967  -100.97128
   23    22 S   O    _O2_    23     1.23161   121.53173  -164.03097
   24    20 S   CT   _CB2    32     1.53498   110.85001   137.02262
   25    24 S   HC   HB21    33     1.09296   109.01629    56.97864
   26    24 S   HC   HB22    34     1.09393   110.25233   175.70965
   27    22 S   N    _N3_    24     1.38006   114.74039    21.39108
   28    27 S   H    _HN3    25     1.01515   119.53410    -2.35634
   29    24 S   S    _SG2    35     1.82826   111.11172   -63.95080
   30    27 S   CT   _CA3    26     1.45296   123.41304   178.64131
   31    30 S   HC   HA31    27     1.09525   107.30074   -73.41402
   32    30 S   HC   HA32    28     1.09557   108.37293    43.20930
   33    29 S   CT   _C23    36     1.85825   101.43822   172.83618
   34    33 S   Cl   Cl1_    37     1.81398   105.92314   178.57152
   35    33 S   Cl   Cl2_    38     1.81087   107.61543    65.18813
   36    30 S   CO3  _C3_    29     1.52968   113.91472   165.46232
   37    36 S   O2Z  _O31    30     1.26380   116.05281     2.99879
   38    36 S   O2Z  _O32    31     1.26415   114.43597  -176.89928
   39    33 S   CT   _C5_    39     1.56608   115.09953   -59.00704
   40    39 S   HC   _H3_    40     1.09591   107.44722    65.34334
   41    39 S   CT   _C4_    41     1.54528   112.38573  -178.77955
   42    41 S   HC   _H5_    42     1.09465   111.71874    71.48121
   43    41 S   HC   _H6_    43     1.09426   111.04350  -168.53602
   44    41 S   HC   _H7_    44     1.09325   112.29494   -50.18105
   45    39 S   CT   _C6_    45     1.55682   113.30116   -53.12422
   46    45 S   HC   _H8_    46     1.09211   110.44507    49.54520
   47    45 S   HC   _H9_    47     1.09700   109.41316   -65.27759
   48    45 S   CM   _C7_    48     1.51469   114.28096   172.61268
   49    48 S   CM   _C8_    49     1.34354   126.90697   -90.60981
   50    49 S   HC   _H10    50     1.08601   119.27435   178.49976
   51    48 S   OS   _O34    81     1.39032   114.24242    86.43069
   52    49 S   C    _C9_    51     1.48634   124.68490    -5.27956
   53    52 S   O    _O33    52     1.23100   119.09204   -50.03860
   54    51 S   CT   _C22    82     1.42702   110.73892    91.63429
   55    54 S   HC   _H23    83     1.09392   107.88749  -179.28783
   56    54 S   HC   _H24    84     1.09533   111.01566    62.40859
   57    54 S   HC   _H25    85     1.09493   111.30834   -60.81448
   58    52 S   N    _N4_    53     1.40197   116.49926   132.53626
   59    58 S   CT   _C10    54     1.46438   117.55797   173.26850
   60    59 S   HC   _H11    55     1.09193   109.58665   120.60216
   61    59 S   HC   _H12    56     1.09224   112.02535    -0.17132
   62    59 S   HC   _H13    57     1.09319   109.10317  -119.14559
   63    58 S   CT   _C11    58     1.49470   124.29828   -13.14609
   64    63 S   HC   _H4_    59     1.09395   107.58155    33.68680
   65    63 S   CRA  _C19    60     1.51588   108.01808   -83.45238
   66    63 S   CT   _C12    67     1.54650   113.55889   152.58997
   67    66 S   HC   _H14    68     1.09835   109.61076   -49.28209
   68    66 S   HC   _H15    69     1.09805   110.94335    67.14332
   69    65 S   N5B  _N5_    61     1.31756   124.65575   -50.84634
   70    66 S   CA   _C13    70     1.51161   113.49664  -169.56480
   71    69 S   C5B  _C20    62     1.37940   109.78304   179.91607
   72    71 S   HA   _H21    63     1.08195   119.13541  -179.46698
   73    70 S   CA   _C14    71     1.40170   120.50025  -103.44246
   74    73 S   HA   _H16    72     1.08734   120.44007    -0.58551
   75    71 S   C5A  _C21    64     1.37689   115.75719     0.45970
   76    75 S   HA   _H22    65     1.08045   128.59294  -179.95154
   77    73 S   CA   _C15    73     1.39555   120.42370   179.03511
   78    77 S   HA   _H17    74     1.08628   119.93788  -179.87028
   79    65 S   SA   _S1_    66     1.72561   120.17816   129.95532
   80    77 S   CA   _C16    75     1.39359   120.07537     0.02798
   81    80 S   HA   _H18    76     1.08617   120.01657  -179.97202
   82    80 S   CA   _C17    77     1.39362   119.96267     0.00000
   83    82 S   HA   _H19    78     1.08628   119.97382  -179.96574
   84    70 S   CA   _C18    79     1.40174   120.45290    75.62561
   85    84 S   HA   _H20    80     1.08721   120.37569     0.85409
  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   7   5   4   3
  12   5   4   2   1   1  11   8   7   3   2   1   8   4   3  10
   8   4   5  10   3   3   2   1   1  13   7   3   2   1  12   7
  10  11   4   3   5   9   4   3   8   4   2   1   6   3   1   5
   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    45  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    45    46    47    48  
   35    39    40    41    45  
   39    40    41    45  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    48    49    51  
   41    42    43    44    45    46    47    48  
   42    43    44    45    46    47    48  
   43    44    45  
   44    45  
   45  
   46    47    48    49    50    52    51    54  
   47    48    49    51  
   48    49    51  
   49    50    52    53    58    51    54    55    56    57  
   50    52    53    58    59    63    51    54  
   52    53    58    51  
   54    55    56    57    52  
   53    58    59    60    61    62    63    64    65    66  
   58    59    63  
   55    56    57  
   56    57  
   57  
    0  
   59    60    61    62    63    64    65    69    79    66    67    68    70  
   60    61    62    63    64    65    66  
   61    62    63  
   62    63  
   63  
   64    65    69    71    75    79    66    67    68    70    73    84  
   65    69    79    66    67    68    70  
   69    71    72    75    76    79    66    67    68    70  
   67    68    70    73    74    77    82    84    85    69    79  
   68    70    73    84  
   70    73    84  
   71    72    75    76    79  
   73    74    77    78    80    82    83    84    85  
   72    75    76    79  
   75    76    79  
   74    77    78    80    81    82    84    85  
   77    78    80    84  
   76    79  
   79  
   78    80    81    82    83    84  
   80    81    82  
    0  
   81    82    83    84    85  
   82    83    84  
   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  -0.175000   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   0.150500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
   35   3.4000   0.3000  -0.135800   2.1950   1.9500   0.001000000   0.320982824
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.068600   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   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   3.5000   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   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5500   0.0760  -0.171700   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   52   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   54   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.2500   0.1700  -0.140000   1.8100   1.6000   0.054801302  -1.445846770
   59   3.5000   0.0660  -0.110000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660   0.125000   2.4950   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5500   0.0700   0.185900   2.0020   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700   0.186200   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.098100   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   245.000  1.781
   33    35   245.000  1.781
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    45   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   317.000  1.510
   48    49   549.000  1.340
   48    51   440.000  1.360
   49    50   340.000  1.080
   49    52   410.000  1.444
   52    53   570.000  1.229
   52    58   490.000  1.335
   58    59   337.000  1.449
   58    63   337.000  1.449
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   63    64   340.000  1.090
   63    65   295.000  1.488
   63    66   268.000  1.529
   65    69   488.000  1.335
   65    79   250.000  1.765
   69    71   410.000  1.394
   71    72   367.000  1.080
   71    75   520.000  1.370
   75    76   367.000  1.080
   75    79   265.000  1.745
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    70   317.000  1.510
   70    73   469.000  1.400
   70    84   469.000  1.400
   73    74   367.000  1.080
   73    77   469.000  1.400
   77    78   367.000  1.080
   77    80   469.000  1.400
   80    81   367.000  1.080
   80    82   469.000  1.400
   82    83   367.000  1.080
   82    84   469.000  1.400
   84    85   367.000  1.080
   51    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  110.65400
   29    33    35    85.00000  110.65400
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    45    58.35000  112.70000
   35    33    34    80.00000  110.42200
   39    33    34    69.00000  109.80000
   39    33    35    69.00000  109.80000
   39    41    42    37.50000  110.70000
   39    41    43    37.50000  110.70000
   39    41    44    37.50000  110.70000
   39    45    46    37.50000  110.70000
   39    45    47    37.50000  110.70000
   39    45    48    70.00000  112.02700
   41    39    40    37.50000  110.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
   45    39    40    37.50000  110.70000
   45    39    41    58.35000  112.70000
   45    48    49    70.00000  124.00000
   45    48    51    85.00000  112.85300
   47    45    46    33.00000  107.80000
   48    45    46    35.00000  109.50000
   48    45    47    35.00000  109.50000
   48    49    50    35.00000  120.00000
   48    49    52    70.00000  118.70000
   48    51    54    90.00000  111.18400
   49    52    53    80.00000  125.30000
   49    52    58    80.00000  111.56200
   52    49    50    35.00000  119.70000
   52    58    59    50.00000  121.90000
   52    58    63    50.00000  121.90000
   58    52    53    80.00000  122.90000
   58    59    60    35.00000  109.50000
   58    59    61    35.00000  109.50000
   58    59    62    35.00000  109.50000
   58    63    64    35.00000  109.50000
   58    63    65    75.00000  107.65000
   58    63    66    70.00000  110.72300
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   63    58    59    50.00000  118.00000
   63    65    69    65.00000  125.57700
   63    65    79    65.00000  125.49400
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    70    70.00000  112.17500
   65    63    64    45.00000  109.19200
   65    69    71    70.00000  110.00000
   65    79    75   120.00000   89.04400
   69    71    72    35.00000  120.00000
   69    71    75    70.00000  111.00000
   71    75    76    35.00000  130.70000
   71    75    79    80.00000  111.29200
   75    71    72    35.00000  128.20000
   79    65    69    80.00000  114.57700
   79    75    76    40.00000  122.38200
   66    63    64    37.50000  110.70000
   66    63    65    70.00000  112.56400
   66    70    73    70.00000  120.00000
   66    70    84    70.00000  120.00000
   68    66    67    33.00000  107.80000
   70    66    67    35.00000  109.50000
   70    66    68    35.00000  109.50000
   70    73    74    35.00000  120.00000
   70    73    77    63.00000  120.00000
   70    84    82    63.00000  120.00000
   70    84    85    35.00000  120.00000
   73    77    78    35.00000  120.00000
   73    77    80    63.00000  120.00000
   77    73    74    35.00000  120.00000
   77    80    81    35.00000  120.00000
   77    80    82    63.00000  120.00000
   80    77    78    35.00000  120.00000
   80    82    83    35.00000  120.00000
   80    82    84    63.00000  120.00000
   82    80    81    35.00000  120.00000
   82    84    85    35.00000  120.00000
   84    70    73    63.00000  120.00000
   84    82    83    35.00000  120.00000
   51    48    49    80.00000  120.01400
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    45   0.44750  1.0 1.0
   29    33    39    45  -0.17800 -1.0 2.0
   29    33    39    45   0.20200  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.15000  1.0 3.0
   33    39    41    44   0.15000  1.0 3.0
   33    39    45    46   0.15000  1.0 3.0
   33    39    45    47   0.15000  1.0 3.0
   33    39    45    48   0.34400  1.0 1.0
   33    39    45    48   0.09450 -1.0 2.0
   33    39    45    48   0.11100  1.0 3.0
   34    33    39    40   0.27000  1.0 3.0
   34    33    39    41   0.35600  1.0 1.0
   34    33    39    41  -0.14650 -1.0 2.0
   34    33    39    41   0.33350  1.0 3.0
   34    33    39    45   0.35600  1.0 1.0
   34    33    39    45  -0.14650 -1.0 2.0
   34    33    39    45   0.33350  1.0 3.0
   35    33    39    40   0.27000  1.0 3.0
   35    33    39    41   0.35600  1.0 1.0
   35    33    39    41  -0.14650 -1.0 2.0
   35    33    39    41   0.33350  1.0 3.0
   35    33    39    45   0.35600  1.0 1.0
   35    33    39    45  -0.14650 -1.0 2.0
   35    33    39    45   0.33350  1.0 3.0
   39    45    48    49   0.09850  1.0 1.0
   39    45    48    49   0.15250 -1.0 2.0
   39    45    48    49  -0.50650  1.0 3.0
   39    45    48    51   0.09700  1.0 1.0
   39    45    48    51   0.15600 -1.0 2.0
   39    45    48    51  -0.50800  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    44   0.15000  1.0 3.0
   40    39    45    46   0.15000  1.0 3.0
   40    39    45    47   0.15000  1.0 3.0
   40    39    45    48   0.15000  1.0 3.0
   41    39    45    46   0.15000  1.0 3.0
   41    39    45    47   0.15000  1.0 3.0
   41    39    45    48   0.34400  1.0 1.0
   41    39    45    48   0.09450 -1.0 2.0
   41    39    45    48   0.11100  1.0 3.0
   45    39    41    42   0.15000  1.0 3.0
   45    39    41    43   0.15000  1.0 3.0
   45    39    41    44   0.15000  1.0 3.0
   45    48    49    50   7.00000 -1.0 2.0
   45    48    49    52   7.00000 -1.0 2.0
   45    48    51    54   2.00000 -1.0 2.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    51   0.00000  1.0 1.0
   47    45    48    49   0.00000  1.0 1.0
   47    45    48    51   0.00000  1.0 1.0
   48    49    52    53   1.00000 -1.0 2.0
   48    49    52    58   0.49500  1.0 1.0
   48    49    52    58   1.31600 -1.0 2.0
   48    49    52    58  -0.02300  1.0 3.0
   48    51    54    55   0.08050  1.0 3.0
   48    51    54    56   0.08050  1.0 3.0
   48    51    54    57   0.08050  1.0 3.0
   49    48    51    54  -2.26850  1.0 1.0
   49    48    51    54   3.39050 -1.0 2.0
   49    52    58    59   1.49850  1.0 1.0
   49    52    58    59   1.53950 -1.0 2.0
   49    52    58    63   1.49850  1.0 1.0
   49    52    58    63   1.53950 -1.0 2.0
   50    49    52    53   0.00000  1.0 1.0
   50    49    52    58   0.65100 -1.0 2.0
   52    58    59    60   0.00000  1.0 1.0
   52    58    59    61   0.00000  1.0 1.0
   52    58    59    62   0.00000  1.0 1.0
   52    58    63    64   0.00000  1.0 1.0
   52    58    63    65  -0.69800  1.0 1.0
   52    58    63    65  -0.21350 -1.0 2.0
   52    58    63    66  -0.43950  1.0 1.0
   52    58    63    66  -0.08100 -1.0 2.0
   52    58    63    66   0.03350  1.0 3.0
   53    52    58    59   3.04450 -1.0 2.0
   53    52    58    63   3.04450 -1.0 2.0
   58    63    65    69   0.04300 -1.0 2.0
   58    63    65    79   0.04300 -1.0 2.0
   58    63    66    67   0.15000  1.0 3.0
   58    63    66    68   0.15000  1.0 3.0
   58    63    66    70   0.08550  1.0 1.0
   58    63    66    70   1.07500 -1.0 2.0
   58    63    66    70  -0.10950  1.0 3.0
   59    58    63    64   0.00000  1.0 1.0
   59    58    63    65   0.17850 -1.0 2.0
   59    58    63    66  -0.05900 -1.0 2.0
   63    58    59    60   0.00000  1.0 1.0
   63    58    59    61   0.00000  1.0 1.0
   63    58    59    62   0.00000  1.0 1.0
   63    65    69    71   3.62500 -1.0 2.0
   63    65    79    75   3.62500 -1.0 2.0
   63    66    70    73   0.04150 -1.0 2.0
   63    66    70    84   0.04150 -1.0 2.0
   64    63    65    69   0.00000  1.0 1.0
   64    63    65    79   0.00000  1.0 1.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    70   0.43200  1.0 3.0
   65    63    66    67   0.43200  1.0 3.0
   65    63    66    68   0.43200  1.0 3.0
   65    63    66    70  -0.94300  1.0 1.0
   65    63    66    70   1.32550 -1.0 2.0
   65    63    66    70  -0.07100  1.0 3.0
   65    69    71    72   2.40000 -1.0 2.0
   65    69   -71    75   2.40000 -1.0 2.0
   69    65   -79    75   3.62500 -1.0 2.0
   69    71    75    76   3.62500 -1.0 2.0
   69    71   -75    79   3.62500 -1.0 2.0
   71    75   -79    65   3.62500 -1.0 2.0
   72    71    75    76   3.62500 -1.0 2.0
   72    71    75    79   3.62500 -1.0 2.0
   76    75    79    65   3.62500 -1.0 2.0
   79    65   -69    71   3.62500 -1.0 2.0
   66    63    65    69   0.29300  1.0 1.0
   66    63    65    69  -1.19700 -1.0 2.0
   66    63    65    69   0.60900  1.0 3.0
   66    63    65    79  -1.00500  1.0 1.0
   66    63    65    79  -0.91300 -1.0 2.0
   66    63    65    79   0.11400  1.0 3.0
   66    70    73    74   3.62500 -1.0 2.0
   66    70    73    77   3.62500 -1.0 2.0
   66    70    84    82   3.62500 -1.0 2.0
   66    70    84    85   3.62500 -1.0 2.0
   67    66    70    73   0.00000  1.0 1.0
   67    66    70    84   0.00000  1.0 1.0
   68    66    70    73   0.00000  1.0 1.0
   68    66    70    84   0.00000  1.0 1.0
   70    73    77    78   3.62500 -1.0 2.0
   70    73    77    80   3.62500 -1.0 2.0
   73    70    84    82   3.62500 -1.0 2.0
   73    70    84    85   3.62500 -1.0 2.0
   73    77    80    81   3.62500 -1.0 2.0
   73    77   -80    82   3.62500 -1.0 2.0
   74    73    77    78   3.62500 -1.0 2.0
   74    73    77    80   3.62500 -1.0 2.0
   77    80    82    83   3.62500 -1.0 2.0
   77    80    82    84   3.62500 -1.0 2.0
   78    77    80    81   3.62500 -1.0 2.0
   78    77    80    82   3.62500 -1.0 2.0
   80    82   -84    70   3.62500 -1.0 2.0
   80    82    84    85   3.62500 -1.0 2.0
   81    80    82    83   3.62500 -1.0 2.0
   81    80    82    84   3.62500 -1.0 2.0
   83    82    84    70   3.62500 -1.0 2.0
   83    82    84    85   3.62500 -1.0 2.0
   84    70    73    74   3.62500 -1.0 2.0
   84    70   -73    77   3.62500 -1.0 2.0
   51    48    49    50   7.00000 -1.0 2.0
   51    48    49    52   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   45    51    48    49  15.00000 -1.0 2.0
   52    50    49    48  15.00000 -1.0 2.0
   49    58    52    53  10.50000 -1.0 2.0
   63    52    58    59   1.00000 -1.0 2.0
   69    79    65    63   4.00000 -1.0 2.0
   75    72    71    69   1.10000 -1.0 2.0
   79    76    75    71   1.10000 -1.0 2.0
   73    84    70    66   4.00000 -1.0 2.0
   77    74    73    70   1.10000 -1.0 2.0
   80    78    77    73   1.10000 -1.0 2.0
   82    81    80    77   1.10000 -1.0 2.0
   84    83    82    80   1.10000 -1.0 2.0
   82    85    84    70   1.10000 -1.0 2.0
END
