* LIGAND DATABASE FILE (OPLS2005)
*
001      91    93    166    245     477
    1     0 S   NP   _N1_     1    29.06158    94.61801   -19.42967
    2     1 S   H    _HN1     2     1.02777    76.23355   -80.96248
    3     1 S   H    _H1_     3     1.02960    96.65212    26.35841
    4     1 S   H    _H2_     4     1.02837    38.93427   135.23803
    5     1 S   CT   _CA1     5     1.50072   145.98485   169.48023
    6     5 S   HC   _HA1     6     1.09575   105.27060    36.72073
    7     5 S   CO3  _C1_     7     1.53943   112.59438   -83.46593
    8     7 S   O2Z  _O11     8     1.26356   114.99836   -39.94763
    9     7 S   O2Z  _O12     9     1.26309   114.98996   139.54256
   10     5 S   CT   _CB1    10     1.53163   107.45255   154.69698
   11    10 S   HC   HB11    11     1.09797   109.63162   -51.12975
   12    10 S   HC   HB12    12     1.09820   110.30792    65.62376
   13    10 S   CT   _CG1    13     1.52794   112.29471  -172.30107
   14    13 S   HC   HG11    14     1.09376   109.79744   -60.16224
   15    13 S   HC   HG12    15     1.09619   110.32401    58.92918
   16    13 S   C    _CD1    16     1.51585   112.89519   179.96044
   17    16 S   O    _OE1    17     1.22659   123.39823   -12.01003
   18    16 S   N    _N2_    18     1.38565   111.16213   168.33845
   19    18 S   H    _HN2    19     1.01538   118.73313     2.36604
   20    18 S   CT1  _CA2    20     1.46013   123.86669  -176.90111
   21    20 S   HC   _HA2    21     1.09699   109.43753   -14.23232
   22    20 S   C    _C2_    22     1.53255   107.63983  -130.20364
   23    22 S   O    _O2_    23     1.22982   122.29930  -144.52385
   24    20 S   CT   _CB2    32     1.53571   111.43400   108.11000
   25    24 S   HC   HB21    33     1.09476   109.76202    59.50782
   26    24 S   HC   HB22    34     1.09534   110.39613   177.33744
   27    22 S   N    _N3_    24     1.38476   113.62594    42.35145
   28    27 S   H    _HN3    25     1.01524   119.01315     0.20271
   29    24 S   S    _SG2    35     1.82938   111.65002   -63.45980
   30    27 S   CT   _CA3    26     1.45380   122.95201   176.76687
   31    30 S   HC   HA31    27     1.09567   108.74124    33.38649
   32    30 S   HC   HA32    28     1.09486   107.24960   150.21290
   33    29 S   CT   _C8_    36     1.85007   100.24172   130.81189
   34    33 S   HC   _H4_    37     1.09566   108.22986   -33.06846
   35    30 S   CO3  _C3_    29     1.52875   113.39791   -89.79222
   36    35 S   O2Z  _O31    30     1.26374   115.45278   -45.03314
   37    35 S   O2Z  _O32    31     1.26371   114.91307   135.92103
   38    33 S   C    _C9_    38     1.53599   106.06887    87.01344
   39    38 S   O    _O42    39     1.23103   121.06489    72.80308
   40    33 S   CT   _C6_    79     1.55490   111.12460  -151.72816
   41    40 S   HC   _H3_    80     1.09948   108.65366   -57.33816
   42    38 S   NM   _N4_    40     1.33591   110.35002  -106.76227
   43    40 S   CT   _C7_    81     1.53824   112.22839    60.91703
   44    43 S   HC   _H14    82     1.09447   111.55349    52.34614
   45    43 S   HC   _H15    83     1.09542   110.87976   172.82602
   46    43 S   HC   _H16    84     1.09421   111.59662   -68.31411
   47    40 S   CT   _C5_    85     1.54950   112.84826  -174.37740
   48    47 S   HC   _H12    86     1.09763   108.70310   176.67327
   49    47 S   HC   _H13    87     1.09621   109.76957    61.64003
   50    42 S   SY   _S1_    41     1.59178   116.30493   177.02968
   51    50 S   OY   _O33    42     1.46032   114.37411   -63.54025
   52    50 S   OY   _O34    43     1.45977   114.59305    73.11484
   53    47 S   CT   _C4_    88     1.52257   115.42955   -61.47709
   54    53 S   HC   _H9_    89     1.09266   111.69573    61.92160
   55    53 S   HC   _H10    90     1.09342   111.62949   -59.94411
   56    53 S   HC   _H11    91     1.09506   109.76930  -179.02542
   57    50 S   OS   _O35    44     1.63663    99.26555  -174.86477
   58    57 S   P2   _P1_    45     1.63247   116.55089  -173.62419
   59    58 S   O2Z  _O37    46     1.51339   111.05182   -56.42458
   60    58 S   O2Z  _O36    47     1.51355   109.40292    79.64539
   61    58 S   OS   _O38    48     1.64103    98.16784  -168.87486
   62    61 S   CT   _C10    49     1.42686   118.10857    62.05742
   63    62 S   HC   _H17    50     1.09223   109.18786   -26.45742
   64    62 S   HC   _H18    51     1.09455   108.13509    90.95980
   65    62 S   CT   _C11    52     1.52838   109.28270  -148.40645
   66    65 S   HC   _H5_    53     1.09601   108.62934   -62.31657
   67    65 S   CT   _C12    54     1.52766   114.94798   172.98793
   68    67 S   HC   _H6_    55     1.09748   108.76851   152.80548
   69    67 S   CT   _C13    56     1.52140   103.05012   -91.79413
   70    69 S   HC   _H7_    57     1.09423   112.80952  -160.08901
   71    67 S   OH   _O41    77     1.41181   113.78033    32.21015
   72    71 S   HO   _H24    78     0.97249   107.72497  -161.88445
   73    69 S   CO   _C14    58     1.52519   100.24519   -38.38460
   74    73 S   HC   _H8_    59     1.09755   110.46241   -79.70948
   75    69 S   OH   _O40    75     1.42252   109.58402    79.01847
   76    75 S   HO   _H23    76     0.97402   107.77204   162.18234
   77    73 S   N*   _N5_    60     1.44791   116.72556   158.00122
   78    65 S   OS   _O39    74     1.44426   109.59889    54.28320
   79    77 S   CRAB _C15    61     1.36959   127.20346  -117.49276
   80    79 S   HA   _H19    62     1.08184   122.91451     4.62707
   81    79 S   NNA  _N6_    63     1.31602   112.17313  -174.52135
   82    81 S   C56B _C16    64     1.37265   105.02105    -0.04846
   83    77 S   C56A _C17    65     1.37010   125.58930    68.21432
   84    83 S   NB   _N7_    66     1.34187   127.89764    -4.89137
   85    84 S   CQ   _C18    67     1.34775   110.62269   179.46551
   86    85 S   HA   _H20    68     1.08497   115.76229   179.43594
   87    85 S   NB   _N8_    69     1.35432   128.69897    -0.47064
   88    82 S   CA   _C19    70     1.40294   131.52516   178.99809
   89    88 S   NND  _N9_    71     1.38043   122.07509    -0.61992
   90    89 S   H    _H21    72     1.01082   120.39366    -0.34718
   91    89 S   H    _H22    73     1.01304   120.11437   179.95577
  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
  15   7   2   1   1  10   3  13   8   5   7   3   2   1   6   5
   4   7   3   2   3   2   1   1   5   7   3   2   7  10   5   4
  12   6  11   7  11   7   4   1  11   5   3   1   9   2   6   3
   6   8   6   4   4   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    43    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    50    40    41    43    44    45    46    47    48    49    53  
   38    39    42    40    41    43    47  
   36    37  
   37  
    0  
   39    42    50    51    52    57    40    41    43    47  
   42    50    40  
   41    43    44    45    46    47    48    49    53    54    55    56    42  
   43    44    45    46    47    48    49    53  
   50    51    52    57    58  
   44    45    46    47    48    49    53  
   45    46    47  
   46    47  
   47  
   48    49    53    54    55    56  
   49    53    54    55    56  
   53    54    55    56  
   51    52    57    58    59    60    61  
   52    57    58  
   57    58  
   54    55    56  
   55    56  
   56  
    0  
   58    59    60    61    62  
   59    60    61    62    63    64    65  
   60    61    62  
   61    62  
   62    63    64    65    66    67    78  
   63    64    65    66    67    68    69    73    78    71  
   64    65    66    67    78  
   65    66    67    78  
   66    67    68    69    70    73    74    77    78    75    71    72  
   67    68    69    73    78    71  
   68    69    70    73    74    77    78    75    76    71    72  
   69    70    73    78    75    71    72  
   70    73    74    77    79    83    78    75    76    71    72  
   73    74    77    78    75    76    71  
   72    73    75    78  
    0  
   74    77    79    80    81    82    83    84    78    75    76  
   77    79    83    78    75  
   76    77    78  
    0  
   79    80    81    82    83    84    85    88    78  
   79    83  
   80    81    82    83    84    88  
   81    82    83  
   82    83    84    87    88    89  
   83    84    85    87    88    89    90    91  
   84    85    86    87    88    89  
   85    86    87    88  
   86    87    88    89  
   87    88  
   88    89    90    91  
   89    90    91  
   90    91  
   91  
    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   3.7500   0.1050   0.622500   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.500000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.4200   0.1700  -1.237500   1.9310   1.7100   0.005000000   0.000000000
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.2500   1.425300   2.0020   1.7750   0.025682759  -1.666211680
   51   2.9600   0.1700  -0.577000   1.6780   1.4800   0.001000000  -0.126889456
   52   2.9600   0.1700  -0.577000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.468800   1.5900   1.4000   0.020110767  -0.896042159
   58   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   59   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   60   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   61   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660   0.080000   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   78   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   81   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   82   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   83   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
   84   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   85   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   87   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   88   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   89   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   90   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   91   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
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  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    42   495.000  1.346
   42    50   350.000  1.613
   50    51   735.000  1.471
   50    52   735.000  1.471
   50    57   335.000  1.682
   57    58   230.000  1.697
   58    59   525.000  1.480
   58    60   525.000  1.480
   58    61   230.000  1.697
   61    62   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    78   320.000  1.410
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    71   320.000  1.410
   69    70   340.000  1.090
   69    73   250.000  1.527
   69    75   320.000  1.410
   73    74   340.000  1.090
   73    77   275.000  1.479
   73    78   320.000  1.380
   77    79   440.000  1.371
   77    83   436.000  1.374
   79    80   367.000  1.080
   79    81   529.000  1.304
   81    82   414.000  1.391
   82    83   447.000  1.419
   82    88   469.000  1.404
   83    84   461.000  1.354
   84    85   502.000  1.324
   85    86   367.000  1.080
   85    87   502.000  1.324
   87    88   483.000  1.339
   88    89   481.000  1.340
   89    90   434.000  1.010
   89    91   434.000  1.010
   75    76   553.000  0.945
   71    72   553.000  0.945
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    47   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    70.00000  112.33000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    42    80.00000  112.12000
   33    40    41    37.50000  110.70000
   33    40    43    58.35000  112.70000
   33    40    47    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    50    75.00000  119.03800
   42    38    39    85.00000  128.94100
   42    50    51   105.00000  114.79700
   42    50    52   105.00000  114.79700
   42    50    57   110.00000  109.00000
   50    57    58    75.00000  113.00000
   52    50    51   115.00000  120.17200
   57    50    51   135.00000  106.70400
   57    50    52   135.00000  106.70400
   57    58    59   100.00000  108.23000
   57    58    60   100.00000  108.23000
   57    58    61    45.00000  102.60000
   58    61    62   100.00000  120.50000
   60    58    59   140.00000  119.90000
   61    58    59   100.00000  108.23000
   61    58    60   100.00000  108.23000
   61    62    63    35.00000  109.50000
   61    62    64    35.00000  109.50000
   61    62    65    50.00000  109.50000
   62    65    66    37.50000  110.70000
   62    65    67    58.35000  112.70000
   62    65    78    50.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    67    68    37.50000  110.70000
   65    67    69    58.35000  112.70000
   65    67    71    50.00000  109.50000
   65    78    73    60.00000  109.50000
   67    65    66    37.50000  110.70000
   67    69    70    37.50000  110.70000
   67    69    73    75.00000  109.43000
   67    69    75    50.00000  109.50000
   67    71    72    55.00000  108.50000
   69    67    68    37.50000  110.70000
   69    73    74    45.00000  112.01100
   69    73    77    75.00000  107.44000
   69    73    78    90.00000  108.56700
   69    75    76    55.00000  108.50000
   73    69    70    45.00000  108.72000
   73    77    79    70.00000  128.80000
   73    77    83    70.00000  125.80000
   77    73    74    55.00000  103.44000
   77    79    80    35.00000  123.05000
   77    79    81    70.00000  113.90000
   77    83    82    70.00000  106.20000
   77    83    84    70.00000  126.20000
   79    81    82    70.00000  103.80000
   81    79    80    35.00000  123.05000
   81    82    83    70.00000  110.40000
   81    82    88    70.00000  132.40000
   82    83    84    70.00000  127.70000
   82    88    87    70.00000  117.30000
   82    88    89    70.00000  123.50000
   83    77    79    70.00000  105.40000
   83    84    85    70.00000  111.00000
   84    85    86    35.00000  115.45000
   84    85    87    70.00000  129.10000
   85    87    88    70.00000  118.60000
   87    85    86    35.00000  115.45000
   87    88    89    70.00000  119.30000
   88    82    83    85.00000  116.20000
   88    89    90    35.00000  120.00000
   88    89    91    35.00000  120.00000
   91    89    90    35.00000  120.00000
   78    65    66    35.00000  109.50000
   78    65    67    50.00000  109.50000
   78    73    74    35.00000  109.50000
   78    73    77   105.00000  106.22000
   75    69    70    35.00000  109.50000
   75    69    73    90.00000  111.58700
   71    67    68    35.00000  109.50000
   71    67    69    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   40    47    48    37.50000  110.70000
   40    47    49    37.50000  110.70000
   40    47    53    58.35000  112.70000
   43    40    41    37.50000  110.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    40    41    37.50000  110.70000
   47    40    43    58.35000  112.70000
   47    53    54    37.50000  110.70000
   47    53    55    37.50000  110.70000
   47    53    56    37.50000  110.70000
   49    47    48    33.00000  107.80000
   53    47    48    37.50000  110.70000
   53    47    49    37.50000  110.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  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   0.30150 -1.0 2.0
   29    33    38    42   0.00000  1.0 1.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    40    47   0.44750  1.0 1.0
   29    33    40    47  -0.17800 -1.0 2.0
   29    33    40    47   0.20200  1.0 3.0
   33    38    42    50   1.73850  1.0 1.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    45   0.15000  1.0 3.0
   33    40    43    46   0.15000  1.0 3.0
   33    40    47    48   0.15000  1.0 3.0
   33    40    47    49   0.15000  1.0 3.0
   33    40    47    53   0.56750  1.0 1.0
   33    40    47    53  -0.07550 -1.0 2.0
   33    40    47    53   0.20000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   34    33    40    47   0.15000  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    43  -0.95700  1.0 1.0
   38    33    40    43  -0.18200 -1.0 2.0
   38    33    40    43   0.29450  1.0 3.0
   38    33    40    47  -0.95700  1.0 1.0
   38    33    40    47  -0.18200 -1.0 2.0
   38    33    40    47   0.29450  1.0 3.0
   38    42    50    51   0.64800  1.0 1.0
   38    42    50    51   0.05750 -1.0 2.0
   38    42    50    51   0.28250  1.0 3.0
   38    42    50    52   0.64800  1.0 1.0
   38    42    50    52   0.05750 -1.0 2.0
   38    42    50    52   0.28250  1.0 3.0
   38    42    50    57   0.00000  1.0 1.0
   39    38    42    50   7.00000 -1.0 2.0
   42    50    57    58   0.00000  1.0 1.0
   50    57    58    59   0.00000  1.0 1.0
   50    57    58    60   0.00000  1.0 1.0
   50    57    58    61   0.15000  1.0 3.0
   51    50    57    58   0.29800  1.0 3.0
   52    50    57    58   0.29800  1.0 3.0
   57    58    61    62   0.05050  1.0 1.0
   57    58    61    62  -1.30700 -1.0 2.0
   57    58    61    62   0.91550  1.0 3.0
   58    61    62    63   0.03000  1.0 3.0
   58    61    62    64   0.03000  1.0 3.0
   58    61    62    65  -2.65550  1.0 1.0
   58    61    62    65  -0.22350 -1.0 2.0
   58    61    62    65   0.24150  1.0 3.0
   59    58    61    62   0.00000  1.0 1.0
   60    58    61    62   0.00000  1.0 1.0
   61    62    65    66   0.23400  1.0 3.0
   61    62    65    67   0.62750  1.0 1.0
   61    62    65    67  -0.30950 -1.0 2.0
   61    62    65    67   0.27300  1.0 3.0
   61    62    65    78   1.11900  1.0 1.0
   61    62    65    78  -1.16350 -1.0 2.0
   61    62    65    78  -0.34150  1.0 3.0
   62    65    67    68   0.15000  1.0 3.0
   62    65    67    69   0.56750  1.0 1.0
   62    65    67    69  -0.07550 -1.0 2.0
   62    65    67    69   0.20000  1.0 3.0
   62    65    67    71   0.86500  1.0 1.0
   62    65    67    71  -0.17500 -1.0 2.0
   62    65    67    71   0.20800  1.0 3.0
   62    65    78    73   0.06250  1.0 1.0
   62    65    78    73  -0.01100 -1.0 2.0
   62    65    78    73   0.28050  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    78   0.23400  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    78   0.23400  1.0 3.0
   65    67    69    70   0.15000  1.0 3.0
   65    67   -69    73   3.97050  1.0 1.0
   65    67    69    75   0.86500  1.0 1.0
   65    67    69    75  -0.17500 -1.0 2.0
   65    67    69    75   0.20800  1.0 3.0
   65    67    71    72  -0.11600  1.0 1.0
   65    67    71    72  -0.09450 -1.0 2.0
   65    67    71    72   0.21250  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    71   0.23400  1.0 3.0
   66    65    78    73   0.37050  1.0 3.0
   67    65   -78    73   0.06250  1.0 1.0
   67    65   -78    73  -0.01100 -1.0 2.0
   67    65   -78    73   0.28050  1.0 3.0
   67    69    73    74   0.15000  1.0 3.0
   67    69    73    77  -0.64600  1.0 1.0
   67    69    73    77   0.58400 -1.0 2.0
   67    69   -73    78   0.62750  1.0 1.0
   67    69   -73    78  -0.30950 -1.0 2.0
   67    69   -73    78   0.27300  1.0 3.0
   67    69    75    76  -0.11600  1.0 1.0
   67    69    75    76  -0.09450 -1.0 2.0
   67    69    75    76   0.21250  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    73   0.15000  1.0 3.0
   68    67    69    75   0.23400  1.0 3.0
   68    67    71    72   0.19450  1.0 3.0
   69    67    71    72  -0.11600  1.0 1.0
   69    67    71    72  -0.09450 -1.0 2.0
   69    67    71    72   0.21250  1.0 3.0
   69    73    77    79   1.10250  1.0 1.0
   69    73    77    79   0.01650 -1.0 2.0
   69    73    77    79   0.39100  1.0 3.0
   69    73    77    83   1.10250  1.0 1.0
   69    73    77    83   0.01650 -1.0 2.0
   69    73    77    83   0.39100  1.0 3.0
   69    73   -78    65   0.06250  1.0 1.0
   69    73   -78    65  -0.01100 -1.0 2.0
   69    73   -78    65   0.28050  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    77   0.15000  1.0 3.0
   70    69    73    78   0.23400  1.0 3.0
   70    69    75    76   0.19450  1.0 3.0
   73    69    75    76  -0.11600  1.0 1.0
   73    69    75    76  -0.09450 -1.0 2.0
   73    69    75    76   0.21250  1.0 3.0
   73    77    79    80   3.62500 -1.0 2.0
   73    77    79    81   3.62500 -1.0 2.0
   73    77    83    82   0.81400  1.0 1.0
   73    77    83    82   1.55550 -1.0 2.0
   73    77    83    84   3.62500 -1.0 2.0
   74    73    77    79   0.00000  1.0 1.0
   74    73    77    83   0.00000  1.0 1.0
   74    73    78    65   0.37050  1.0 3.0
   77    73    78    65  -2.37750  1.0 1.0
   77    73    78    65  -0.08150 -1.0 2.0
   77    73    78    65   0.59000  1.0 3.0
   77    79   -81    82   3.62500 -1.0 2.0
   77    83    84    85   3.62500 -1.0 2.0
   79    77   -83    82   0.70250  1.0 1.0
   79    77   -83    82   1.56150 -1.0 2.0
   79    77    83    84   3.62500 -1.0 2.0
   79    81   -82    83   3.62500 -1.0 2.0
   79    81    82    88   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   81    82   -83    77   3.62500 -1.0 2.0
   81    82    83    84   3.62500 -1.0 2.0
   81    82    88    87   3.62500 -1.0 2.0
   81    82    88    89   3.62500 -1.0 2.0
   82    83    84    85   3.62500 -1.0 2.0
   82    88    89    90   0.70000 -1.0 2.0
   82    88    89    91   0.70000 -1.0 2.0
   83    77    79    80   3.62500 -1.0 2.0
   83    77   -79    81   3.62500 -1.0 2.0
   83    82    88    87   3.62500 -1.0 2.0
   83    82    88    89   3.62500 -1.0 2.0
   83    84    85    86   3.62500 -1.0 2.0
   83    84   -85    87   3.62500 -1.0 2.0
   84    85    87    88   3.62500 -1.0 2.0
   85    87   -88    82   3.62500 -1.0 2.0
   85    87    88    89   3.62500 -1.0 2.0
   86    85    87    88   3.62500 -1.0 2.0
   87    88    89    90   0.70000 -1.0 2.0
   87    88    89    91   0.70000 -1.0 2.0
   88    82    83    77   3.00000 -1.0 2.0
   88    82   -83    84   3.62500 -1.0 2.0
   78    65    67    68   0.23400  1.0 3.0
   78    65   -67    69   0.62750  1.0 1.0
   78    65   -67    69  -0.30950 -1.0 2.0
   78    65   -67    69   0.27300  1.0 3.0
   78    65    67    71   3.69350  1.0 1.0
   78    65    67    71  -1.82950 -1.0 2.0
   78    73    77    79   0.10350  1.0 1.0
   78    73    77    79  -0.15350 -1.0 2.0
   78    73    77    83   0.10350  1.0 1.0
   78    73    77    83  -0.15350 -1.0 2.0
   75    69    73    74   0.23400  1.0 3.0
   75    69    73    77   2.76900  1.0 1.0
   75    69    73    77  -0.24350 -1.0 2.0
   75    69    73    77  -0.78250  1.0 3.0
   75    69    73    78   3.69350  1.0 1.0
   75    69    73    78  -1.82950 -1.0 2.0
   71    67    69    70   0.23400  1.0 3.0
   71    67    69    73   0.86500  1.0 1.0
   71    67    69    73  -0.17500 -1.0 2.0
   71    67    69    73   0.20800  1.0 3.0
   71    67    69    75   3.75450  1.0 1.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33    38    42   0.00000  1.0 1.0
   40    47    53    54   0.15000  1.0 3.0
   40    47    53    55   0.15000  1.0 3.0
   40    47    53    56   0.15000  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    45   0.15000  1.0 3.0
   41    40    43    46   0.15000  1.0 3.0
   41    40    47    48   0.15000  1.0 3.0
   41    40    47    49   0.15000  1.0 3.0
   41    40    47    53   0.15000  1.0 3.0
   43    40    47    48   0.15000  1.0 3.0
   43    40    47    49   0.15000  1.0 3.0
   43    40    47    53   0.56750  1.0 1.0
   43    40    47    53  -0.07550 -1.0 2.0
   43    40    47    53   0.20000  1.0 3.0
   47    40    43    44   0.15000  1.0 3.0
   47    40    43    45   0.15000  1.0 3.0
   47    40    43    46   0.15000  1.0 3.0
   48    47    53    54   0.15000  1.0 3.0
   48    47    53    55   0.15000  1.0 3.0
   48    47    53    56   0.15000  1.0 3.0
   49    47    53    54   0.15000  1.0 3.0
   49    47    53    55   0.15000  1.0 3.0
   49    47    53    56   0.15000  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    42    38    39  10.50000 -1.0 2.0
   79    83    77    73   4.00000 -1.0 2.0
   81    80    79    77   1.10000 -1.0 2.0
   83    88    82    81   4.00000 -1.0 2.0
   82    84    83    77   4.00000 -1.0 2.0
   87    86    85    84   1.10000 -1.0 2.0
   87    89    88    82   4.00000 -1.0 2.0
   91    88    89    90   1.00000 -1.0 2.0
END
