* LIGAND DATABASE FILE (OPLS2005)
*
001      86    85    151    211     434
    1     0 S   NP   _N1_     1    28.98466    93.32050   -18.82121
    2     1 S   H    _HN1     2     1.02780    77.57661   -69.73011
    3     1 S   H    _H1_     3     1.02965   109.59913    35.48462
    4     1 S   H    _H2_     4     1.02840    31.49937   126.40281
    5     1 S   CT   _CA1     5     1.50096   132.44815  -178.57220
    6     5 S   HC   _HA1     6     1.09568   105.32965    32.21917
    7     5 S   CO3  _C1_     7     1.53879   112.11548   -88.14286
    8     7 S   O2Z  _O11     8     1.26358   115.05088   -49.25759
    9     7 S   O2Z  _O12     9     1.26231   114.90899   129.97281
   10     5 S   CT   _CB1    10     1.53095   107.41767   150.16078
   11    10 S   HC   HB11    11     1.09816   109.58998   -49.93072
   12    10 S   HC   HB12    12     1.09836   110.31612    66.61729
   13    10 S   CT   _CG1    13     1.53045   112.62430  -171.08478
   14    13 S   HC   HG11    14     1.09432   110.28751   -54.94431
   15    13 S   HC   HG12    15     1.09594   110.34483    63.97824
   16    13 S   C    _CD1    16     1.51787   111.52352  -176.16452
   17    16 S   O    _OE1    17     1.22789   122.74267   -26.60510
   18    16 S   N    _N2_    18     1.38544   112.19715   154.44289
   19    18 S   H    _HN2    19     1.01575   119.18088     1.48819
   20    18 S   CT1  _CA2    20     1.46254   123.33707  -177.11880
   21    20 S   HC   _HA2    21     1.09731   109.30683   -16.40618
   22    20 S   C    _C2_    22     1.53378   108.25234  -132.17533
   23    22 S   O    _O2_    23     1.23007   122.29541  -145.36867
   24    20 S   CT   _CB2    32     1.53534   111.47579   105.64620
   25    24 S   HC   HB21    33     1.09614   109.81060    55.26673
   26    24 S   HC   HB22    34     1.09513   110.51503   174.33524
   27    22 S   N    _N3_    24     1.38526   113.30713    41.96132
   28    27 S   H    _HN3    25     1.01535   118.91049    -0.49258
   29    24 S   S    _SG2    35     1.82589   111.96932   -65.67427
   30    27 S   CT   _CA3    26     1.45443   123.39379   175.14703
   31    30 S   HC   HA31    27     1.09528   109.16532    25.66695
   32    30 S   HC   HA32    28     1.09493   107.13643   142.66097
   33    29 S   CT   _C11    36     1.82611    99.01679   172.49695
   34    33 S   HC   _H14    37     1.09534   108.23093    68.12867
   35    33 S   HC   _H15    38     1.09536   108.04449   -48.05373
   36    30 S   CO3  _C3_    29     1.52931   113.17955   -97.76009
   37    36 S   O2Z  _O31    30     1.26397   115.43804   -43.72469
   38    36 S   O2Z  _O32    31     1.26360   114.96116   137.22388
   39    33 S   CT   _C9_    39     1.53825   113.51933  -169.73507
   40    39 S   HC   _H3_    40     1.09861   107.99551   176.81709
   41    39 S   CO4  _C8_    41     1.52356   111.78137    60.36212
   42    41 S   O    _O34    42     1.22369   125.02828  -121.58677
   43    39 S   CT   _C10    83     1.52974   112.78834   -65.70409
   44    43 S   HC   _H11    84     1.09484   112.24810    67.28053
   45    43 S   HC   _H12    85     1.09591   110.40916  -173.40614
   46    43 S   HC   _H13    86     1.09491   110.87567   -54.04169
   47    41 S   OS   _O33    43     1.36446   109.49645    58.83661
   48    47 S   CT   _C7_    44     1.43706   116.01334  -175.26124
   49    48 S   HC   _H9_    45     1.09678   108.79549   -62.73167
   50    48 S   HC   _H10    46     1.09655   108.96934    54.65598
   51    48 S   CT   _C6_    47     1.54977   109.71332   175.84108
   52    51 S   CT   _C5_    48     1.55875   111.67113   -53.60575
   53    52 S   HC   _H7_    49     1.09767   109.62232   178.76933
   54    52 S   HC   _H8_    50     1.09776   109.57513    63.29841
   55    51 S   CT   _C12    55     1.54962   107.65427  -176.50576
   56    55 S   HC   _H16    56     1.09720   110.50672   -59.74476
   57    55 S   HC   _H17    57     1.09540   110.81205    59.77853
   58    51 S   CT   _C17    69     1.55535   109.68614    64.11885
   59    58 S   HC   _H23    70     1.09709   110.51062   -60.11359
   60    58 S   HC   _H24    71     1.09717   110.50553  -179.91844
   61    52 S   CT   _C4_    51     1.52257   115.64259   -58.83116
   62    61 S   HC   _H4_    52     1.09306   111.65970    60.16815
   63    61 S   HC   _H5_    53     1.09517   109.77845   179.14065
   64    61 S   HC   _H6_    54     1.09295   111.62370   -61.86767
   65    55 S   OS   _O35    58     1.43735   109.90565   179.77015
   66    58 S   OS   _O37    72     1.43774   110.12048    59.95836
   67    65 S   CO4  _C13    59     1.35905   116.01944   175.09823
   68    67 S   O    _O36    60     1.22238   125.96502    -0.42658
   69    66 S   CO4  _C18    73     1.35890   116.00622   179.22874
   70    69 S   O    _O38    74     1.22246   125.89111     0.29871
   71    67 S   CM   _C14    61     1.48978   109.39011   179.72446
   72    69 S   CM   _C19    75     1.48964   109.41837  -179.67857
   73    71 S   CM   _C15    62     1.34141   117.43665  -179.47474
   74    73 S   HC   _H18    63     1.08548   120.95967   180.00000
   75    73 S   HC   _H19    64     1.08537   122.45057     0.06256
   76    71 S   CT   _C16    65     1.49798   120.06381     0.55143
   77    76 S   HC   _H20    66     1.09503   110.59197   -60.45683
   78    76 S   HC   _H21    67     1.09506   110.58484    60.03353
   79    76 S   HC   _H22    68     1.09536   111.88923   179.78150
   80    72 S   CM   _C20    76     1.34140   117.44084  -179.34002
   81    80 S   HC   _H25    77     1.08555   120.95108  -179.95577
   82    80 S   HC   _H26    78     1.08536   122.47543     0.03956
   83    72 S   CT   _C21    79     1.49809   120.05826     0.73648
   84    83 S   HC   _H27    80     1.09504   110.59236   -60.51179
   85    83 S   HC   _H28    81     1.09506   110.58383    59.97825
   86    83 S   HC   _H29    82     1.09536   111.88800   179.72660
  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
  11   5   4   2   1   1   9   7  10   3   4   2   1   1   7  15
   5   4  17  14   7   6  11   4   3   8   3   2   3   2   1   1
   5   5   9   3   9   3   7   7   6   2   1   3   2   1   1   6
   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    47    43    44    45    46  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    47    48    43    44    45    46  
   41    42    47    43    44    45    46  
   42    47    48    49    50    51    43    44    45    46  
   47    48    43  
   44    45    46    47  
   45    46  
   46  
    0  
   48    49    50    51    52    55    58  
   49    50    51    52    53    54    61    55    56    57    65    58    59    60    66  
   50    51    52    55    58  
   51    52    55    58  
   52    53    54    61    62    63    64    55    56    57    65    67    58    59    60    66    69  
   53    54    61    62    63    64    55    56    57    65    58    59    60    66  
   54    61    62    63    64    55    58  
   61    62    63    64    55    58  
   56    57    65    67    68    71    58    59    60    66    61  
   57    65    67    58  
   65    67    58  
   59    60    66    69    70    72    61    65  
   60    66    69  
   66    69  
   62    63    64  
   63    64  
   64  
    0  
   67    68    71    73    76  
   69    70    72    80    83  
   68    71    73    74    75    76    77    78    79  
   71    73    76  
   70    72    80    81    82    83    84    85    86  
   72    80    83  
   73    74    75    76    77    78    79  
   80    81    82    83    84    85    86  
   74    75    76    77    78    79  
   75    76  
   76  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83    84    85    86  
   82    83  
   83  
   84    85    86  
   85    86  
   86  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   66   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    43   268.000  1.529
   41    42   570.000  1.229
   41    47   214.000  1.327
   47    48   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   268.000  1.529
   51    55   268.000  1.529
   51    58   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    65   320.000  1.410
   65    67   214.000  1.327
   67    68   570.000  1.229
   67    71   320.000  1.462
   71    73   549.000  1.340
   71    76   317.000  1.510
   73    74   340.000  1.080
   73    75   340.000  1.080
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    66   320.000  1.410
   66    69   214.000  1.327
   69    70   570.000  1.229
   69    72   320.000  1.462
   72    80   549.000  1.340
   72    83   317.000  1.510
   80    81   340.000  1.080
   80    82   340.000  1.080
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    43    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    47    81.00000  111.40000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    46    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    47    48    83.00000  116.90000
   47    41    42    83.00000  123.40000
   47    48    49    35.00000  109.50000
   47    48    50    35.00000  109.50000
   47    48    51    50.00000  109.50000
   48    51    52    58.35000  112.70000
   48    51    55    58.35000  112.70000
   48    51    58    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    52    53    37.50000  110.70000
   51    52    54    37.50000  110.70000
   51    52    61    58.35000  112.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    65    50.00000  109.50000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    66    50.00000  109.50000
   52    61    62    37.50000  110.70000
   52    61    63    37.50000  110.70000
   52    61    64    37.50000  110.70000
   54    52    53    33.00000  107.80000
   61    52    53    37.50000  110.70000
   61    52    54    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   55    51    52    58.35000  112.70000
   55    65    67    83.00000  116.90000
   57    55    56    33.00000  107.80000
   65    55    56    35.00000  109.50000
   65    55    57    35.00000  109.50000
   65    67    68    83.00000  123.40000
   65    67    71    90.00000  111.29400
   67    71    73    65.00000  118.96000
   67    71    76    65.00000  116.34900
   71    67    68    80.00000  123.72100
   71    73    74    35.00000  120.00000
   71    73    75    35.00000  120.00000
   71    76    77    35.00000  109.50000
   71    76    78    35.00000  109.50000
   71    76    79    35.00000  109.50000
   75    73    74    35.00000  117.00000
   76    71    73    70.00000  124.00000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   58    51    52    58.35000  112.70000
   58    51    55    58.35000  112.70000
   58    66    69    83.00000  116.90000
   60    58    59    33.00000  107.80000
   66    58    59    35.00000  109.50000
   66    58    60    35.00000  109.50000
   66    69    70    83.00000  123.40000
   66    69    72    90.00000  111.29400
   69    72    80    65.00000  118.96000
   69    72    83    65.00000  116.34900
   72    69    70    80.00000  123.72100
   72    80    81    35.00000  120.00000
   72    80    82    35.00000  120.00000
   72    83    84    35.00000  109.50000
   72    83    85    35.00000  109.50000
   72    83    86    35.00000  109.50000
   82    80    81    35.00000  117.00000
   83    72    80    70.00000  124.00000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   43    39    40    37.50000  110.70000
   43    39    41    63.00000  111.10000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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   0.32350  1.0 3.0
   24    29    33    35   0.32350  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   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    47   0.36750  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    46   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    43   0.15000  1.0 3.0
   39    41    47    48   1.63150  1.0 1.0
   39    41    47    48   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    47   0.00000  1.0 1.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    46   0.15000  1.0 3.0
   41    39    43    44  -0.11250  1.0 3.0
   41    39    43    45  -0.11250  1.0 3.0
   41    39    43    46  -0.11250  1.0 3.0
   41    47    48    49   0.08050  1.0 3.0
   41    47    48    50   0.08050  1.0 3.0
   41    47    48    51  -0.25900  1.0 1.0
   41    47    48    51  -0.47000 -1.0 2.0
   41    47    48    51   0.11750  1.0 3.0
   42    41    47    48   3.00000 -1.0 2.0
   47    48    51    52   0.62750  1.0 1.0
   47    48    51    52  -0.30950 -1.0 2.0
   47    48    51    52   0.27300  1.0 3.0
   47    48    51    55   0.62750  1.0 1.0
   47    48    51    55  -0.30950 -1.0 2.0
   47    48    51    55   0.27300  1.0 3.0
   47    48    51    58   0.62750  1.0 1.0
   47    48    51    58  -0.30950 -1.0 2.0
   47    48    51    58   0.27300  1.0 3.0
   48    51    52    53   0.15000  1.0 3.0
   48    51    52    54   0.15000  1.0 3.0
   48    51    52    61   0.56750  1.0 1.0
   48    51    52    61  -0.07550 -1.0 2.0
   48    51    52    61   0.20000  1.0 3.0
   48    51    55    56   0.15000  1.0 3.0
   48    51    55    57   0.15000  1.0 3.0
   48    51    55    65   0.62750  1.0 1.0
   48    51    55    65  -0.30950 -1.0 2.0
   48    51    55    65   0.27300  1.0 3.0
   48    51    58    59   0.15000  1.0 3.0
   48    51    58    60   0.15000  1.0 3.0
   48    51    58    66   0.62750  1.0 1.0
   48    51    58    66  -0.30950 -1.0 2.0
   48    51    58    66   0.27300  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    55   0.15000  1.0 3.0
   49    48    51    58   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    55   0.15000  1.0 3.0
   50    48    51    58   0.15000  1.0 3.0
   51    52    61    62   0.15000  1.0 3.0
   51    52    61    63   0.15000  1.0 3.0
   51    52    61    64   0.15000  1.0 3.0
   51    55    65    67  -0.25900  1.0 1.0
   51    55    65    67  -0.47000 -1.0 2.0
   51    55    65    67   0.11750  1.0 3.0
   51    58    66    69  -0.25900  1.0 1.0
   51    58    66    69  -0.47000 -1.0 2.0
   51    58    66    69   0.11750  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    65   0.62750  1.0 1.0
   52    51    55    65  -0.30950 -1.0 2.0
   52    51    55    65   0.27300  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    66   0.62750  1.0 1.0
   52    51    58    66  -0.30950 -1.0 2.0
   52    51    58    66   0.27300  1.0 3.0
   53    52    61    62   0.15000  1.0 3.0
   53    52    61    63   0.15000  1.0 3.0
   53    52    61    64   0.15000  1.0 3.0
   54    52    61    62   0.15000  1.0 3.0
   54    52    61    63   0.15000  1.0 3.0
   54    52    61    64   0.15000  1.0 3.0
   55    51    52    53   0.15000  1.0 3.0
   55    51    52    54   0.15000  1.0 3.0
   55    51    52    61   0.56750  1.0 1.0
   55    51    52    61  -0.07550 -1.0 2.0
   55    51    52    61   0.20000  1.0 3.0
   55    51    58    59   0.15000  1.0 3.0
   55    51    58    60   0.15000  1.0 3.0
   55    51    58    66   0.62750  1.0 1.0
   55    51    58    66  -0.30950 -1.0 2.0
   55    51    58    66   0.27300  1.0 3.0
   55    65    67    68   3.00000 -1.0 2.0
   55    65    67    71   2.00000 -1.0 2.0
   56    55    65    67   0.08050  1.0 3.0
   57    55    65    67   0.08050  1.0 3.0
   65    67    71    73  -0.56150  1.0 1.0
   65    67    71    73   2.19150 -1.0 2.0
   65    67    71    76  -0.15000  1.0 1.0
   65    67    71    76   0.89550 -1.0 2.0
   65    67    71    76  -0.06900  1.0 3.0
   67    71    73    74   7.00000 -1.0 2.0
   67    71    73    75   7.00000 -1.0 2.0
   67    71    76    77   0.15000  1.0 3.0
   67    71    76    78   0.15000  1.0 3.0
   67    71    76    79   0.15000  1.0 3.0
   68    67    71    73   1.00000 -1.0 2.0
   68    67    71    76  -0.64400  1.0 1.0
   68    67    71    76   0.26850 -1.0 2.0
   73    71    76    77   0.00000  1.0 1.0
   73    71    76    78   0.00000  1.0 1.0
   73    71    76    79   0.00000  1.0 1.0
   76    71    73    74   7.00000 -1.0 2.0
   76    71    73    75   7.00000 -1.0 2.0
   58    51    52    53   0.15000  1.0 3.0
   58    51    52    54   0.15000  1.0 3.0
   58    51    52    61   0.56750  1.0 1.0
   58    51    52    61  -0.07550 -1.0 2.0
   58    51    52    61   0.20000  1.0 3.0
   58    51    55    56   0.15000  1.0 3.0
   58    51    55    57   0.15000  1.0 3.0
   58    51    55    65   0.62750  1.0 1.0
   58    51    55    65  -0.30950 -1.0 2.0
   58    51    55    65   0.27300  1.0 3.0
   58    66    69    70   3.00000 -1.0 2.0
   58    66    69    72   2.00000 -1.0 2.0
   59    58    66    69   0.08050  1.0 3.0
   60    58    66    69   0.08050  1.0 3.0
   66    69    72    80  -0.56150  1.0 1.0
   66    69    72    80   2.19150 -1.0 2.0
   66    69    72    83  -0.15000  1.0 1.0
   66    69    72    83   0.89550 -1.0 2.0
   66    69    72    83  -0.06900  1.0 3.0
   69    72    80    81   7.00000 -1.0 2.0
   69    72    80    82   7.00000 -1.0 2.0
   69    72    83    84   0.15000  1.0 3.0
   69    72    83    85   0.15000  1.0 3.0
   69    72    83    86   0.15000  1.0 3.0
   70    69    72    80   1.00000 -1.0 2.0
   70    69    72    83  -0.64400  1.0 1.0
   70    69    72    83   0.26850 -1.0 2.0
   80    72    83    84   0.00000  1.0 1.0
   80    72    83    85   0.00000  1.0 1.0
   80    72    83    86   0.00000  1.0 1.0
   83    72    80    81   7.00000 -1.0 2.0
   83    72    80    82   7.00000 -1.0 2.0
   43    39    41    42   0.30150 -1.0 2.0
   43    39    41    47   0.36750  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
   37    30    36    38  10.50000 -1.0 2.0
   39    47    41    42  10.50000 -1.0 2.0
   65    71    67    68  10.50000 -1.0 2.0
   67    76    71    73  15.00000 -1.0 2.0
   74    75    73    71  15.00000 -1.0 2.0
   66    72    69    70  10.50000 -1.0 2.0
   69    83    72    80  15.00000 -1.0 2.0
   81    82    80    72  15.00000 -1.0 2.0
END
