* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    164    257     489
    1     0 S   NP   _N1_     1    28.86125    91.30168   -22.59326
    2     1 S   H    _HN1     2     1.02790   100.67753   -95.70643
    3     1 S   H    _H1_     3     1.02948    98.31748    14.81044
    4     1 S   H    _H2_     4     1.02837    14.50428   143.23071
    5     1 S   CT   _CA1     5     1.50095   125.19404   137.21748
    6     5 S   HC   _HA1     6     1.09595   105.14151    60.70560
    7     5 S   CO3  _C1_     7     1.53651   112.53430   -59.17998
    8     7 S   O2Z  _O11     8     1.26378   115.21870   -44.18328
    9     7 S   O2Z  _O12     9     1.26217   114.90779   135.13567
   10     5 S   CT   _CB1    10     1.53112   107.42217   178.26856
   11    10 S   HC   HB11    11     1.09811   108.90969   -53.26882
   12    10 S   HC   HB12    12     1.09813   110.55734    63.14379
   13    10 S   CT   _CG1    13     1.53022   112.78383  -174.60007
   14    13 S   HC   HG11    14     1.09534   110.15440   -68.96992
   15    13 S   HC   HG12    15     1.09672   110.03955    50.06770
   16    13 S   C    _CD1    16     1.51890   112.53187   170.01875
   17    16 S   O    _OE1    17     1.22735   123.24269    -5.21763
   18    16 S   N    _N2_    18     1.38655   111.71505   175.97270
   19    18 S   H    _HN2    19     1.01598   118.95724    -1.33163
   20    18 S   CT1  _CA2    20     1.46264   123.38503   175.21500
   21    20 S   HC   _HA2    21     1.09751   109.25643   -10.86212
   22    20 S   C    _C2_    22     1.53487   108.03049  -125.96475
   23    22 S   O    _O2_    23     1.23021   122.47744  -147.35684
   24    20 S   CT   _CB2    32     1.53336   112.03397   111.54422
   25    24 S   HC   HB21    33     1.09458   110.02157    53.40112
   26    24 S   HC   HB22    34     1.09513   110.18957   172.52633
   27    22 S   N    _N3_    24     1.38396   113.42053    40.15680
   28    27 S   H    _HN3    25     1.01640   119.50927    -3.60288
   29    24 S   S    _SG2    35     1.82595   111.62242   -68.06682
   30    27 S   CT   _CA3    26     1.45285   123.11956   176.96720
   31    30 S   HC   HA31    27     1.09552   107.55063   -63.17959
   32    30 S   HC   HA32    28     1.09558   107.92115    53.22849
   33    29 S   CT   _C21    36     1.84825    99.81790  -179.08700
   34    33 S   HC   _H3_    37     1.09603   108.71442    12.63735
   35    30 S   CO3  _C3_    29     1.52930   114.12612   175.18362
   36    35 S   O2Z  _O31    30     1.26366   116.04894    -0.95900
   37    35 S   O2Z  _O32    31     1.26428   114.41501   179.09367
   38    33 S   CT   _C13    38     1.54924   109.40453  -107.90546
   39    38 S   HC   _H39    39     1.09592   107.91048   -48.93487
   40    33 S   CT   _C20    83     1.52885   106.64476   128.86882
   41    40 S   HC   _H47    84     1.09588   111.77743    67.75501
   42    40 S   HC   _H48    85     1.09631   111.51702   -53.70419
   43    40 S   HC   _H49    86     1.09492   110.85129  -171.92017
   44    38 S   CO4  _C5_    40     1.52264   109.36690    69.70305
   45    44 S   O    _O20    41     1.22394   124.50810    56.76429
   46    38 S   CT   _C8_    67     1.54761   113.91349  -169.07000
   47    46 S   HC   _H29    68     1.09516   109.97599    58.66814
   48    46 S   HC   _H30    69     1.09946   108.48267   -55.54331
   49    44 S   OS   _O23    42     1.36112   109.30327  -125.49963
   50    49 S   CT   _C16    43     1.42139   117.47506  -169.78829
   51    50 S   HC   _H42    44     1.09976   110.38778    30.36250
   52    50 S   CT   _C9_    45     1.51480   111.21352   -90.83295
   53    52 S   HC   _H31    46     1.09456   111.99634    80.37594
   54    52 S   HC   _H32    47     1.09487   111.21166   -39.67087
   55    52 S   CT   _C10    48     1.51177   101.92758  -159.17658
   56    55 S   HC   _H33    49     1.09513   112.55443   162.80512
   57    55 S   HC   _H34    50     1.09721   109.45330   -78.83527
   58    55 S   NTH0 _N19    51     1.47181   106.01793    37.34566
   59    58 S   CT   _C11    52     1.47412   112.20762    93.98931
   60    59 S   HC   _H35    53     1.09767   108.28921   139.20390
   61    59 S   HC   _H36    54     1.09445   114.28238    21.82983
   62    59 S   CT   _C17    55     1.51801   106.71279  -102.48390
   63    62 S   HC   _H43    56     1.09595   111.64175    84.31985
   64    62 S   CT   _C14    57     1.51894   101.78731   -34.36012
   65    64 S   HC   _H40    58     1.10234   108.03074   -73.01402
   66    62 S   OH   _O24    81     1.41511   111.84322  -153.21202
   67    66 S   HO   _H51    82     0.97638   106.87627   -71.74800
   68    64 S   CT   _C12    59     1.52580   112.80704   171.03831
   69    68 S   HC   _H37    60     1.09635   110.99838   -46.59127
   70    68 S   HC   _H38    61     1.09709   109.41674    72.04393
   71    50 S   CT   _C15    79     1.53933   113.77957   151.35358
   72    71 S   HC   _H41    80     1.09770   107.79817  -100.44955
   73    68 S   OS   _O22    62     1.43506   110.06455  -168.62520
   74    73 S   CO4  _C6_    63     1.36737   114.98182   174.21941
   75    74 S   O    _O21    64     1.22609   125.19470     7.46734
   76    74 S   CT   _C18    65     1.53137   110.99038  -171.39435
   77    76 S   CM   _C4_    66     1.53122   109.84665    63.94326
   78    76 S   CT   _C19    73     1.53583   108.48404   -64.23304
   79    78 S   HC   _H44    74     1.09711   110.61285   -57.71949
   80    78 S   HC   _H45    75     1.09623   111.02917  -175.49785
   81    78 S   HC   _H46    76     1.09519   112.64533    62.20060
   82    76 S   OH   _O25    77     1.43035   108.06440  -179.09259
   83    82 S   HO   _H52    78     0.97283   108.08744    56.87173
   84    77 S   CM   _C7_    70     1.34656   123.03639  -113.19535
   85    84 S   HC   _H27    71     1.08345   122.79704     1.85351
   86    84 S   HC   _H28    72     1.08603   121.19886  -178.57234
  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  10   5   4   3
  14   8   2   1   1  15   8   5   2   1   1  10   3  11   4   3
  10  15   8  10   6   5  10   4   3  11  11   6   5  11   6  10
   7   3   1   8   4   3   2   1   6  10   4  10   9   6   3   2
   1   2   1   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    44    46    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    44    45    49    77    46    47    48    40    41    42    43  
   38    39    44    46    40    41    42    43  
   36    37  
   37  
    0  
   39    44    45    49    50    76    77    46    47    48    84    40    41    42    43  
   44    45    49    77    46    47    48    40  
   41    42    43    44    46  
   42    43  
   43  
    0  
   45    49    50    51    52    77    46    47    48    71  
   49    50    46  
   47    48    84    85    86    78    82    49    74    76    77  
   48    84    76    77  
   84    76    77  
   50    51    52    53    54    55    58    64    71    72  
   51    52    53    54    55    56    57    58    59    62    64    65    68    71    72  
   52    53    54    55    58    64    71    72  
   53    54    55    56    57    58    59    64    71    72  
   54    55    56    57    58    71  
   55    56    57    58    71  
   56    57    58    59    60    61    62    64    71    72  
   57    58    59    71  
   58    59    71  
   59    60    61    62    63    64    65    68    71    72    66  
   60    61    62    63    64    65    68    71    72    66    67  
   61    62    63    64    71    66  
   62    63    64    71    66  
   63    64    65    68    69    70    73    71    72    66    67  
   64    65    68    71    66    67  
   65    68    69    70    73    74    71    72    66    67  
   68    69    70    73    71    72    66  
   67    68    71  
    0  
   69    70    73    74    75    76    71    72  
   70    73    74    71  
   73    74    71  
   72    73  
    0  
   74    75    76    77    78    82  
   75    76    77    84    78    79    80    81    82    83  
   76    77    78    82  
   77    84    85    86    78    79    80    81    82    83  
   84    85    86    78    79    80    81    82    83  
   79    80    81    82    83    84  
   80    81    82  
   81    82  
   82  
   83    84  
    0  
   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   0.107500   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   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   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   59   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    44   317.000  1.522
   38    46   268.000  1.529
   44    45   570.000  1.229
   44    49   214.000  1.327
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    71   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   310.000  1.447
   58    59   310.000  1.447
   58    71   310.000  1.447
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   340.000  1.090
   62    64   268.000  1.529
   62    66   320.000  1.410
   64    65   340.000  1.090
   64    68   268.000  1.529
   64    71   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   320.000  1.410
   73    74   214.000  1.327
   74    75   570.000  1.229
   74    76   317.000  1.522
   76    77   317.000  1.510
   76    78   268.000  1.529
   76    82   320.000  1.410
   77    46   317.000  1.510
   77    84   549.000  1.340
   46    47   340.000  1.090
   46    48   340.000  1.090
   84    85   340.000  1.080
   84    86   340.000  1.080
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   553.000  0.945
   71    72   340.000  1.090
   66    67   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    44    63.00000  111.10000
   33    38    46    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    44    45    80.00000  120.40000
   38    44    49    81.00000  111.40000
   38    46    77    70.00000  112.02700
   38    46    47    37.50000  110.70000
   38    46    48    37.50000  110.70000
   44    38    39    35.00000  109.50000
   44    49    50    83.00000  116.90000
   49    44    45    83.00000  123.40000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    71    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    55    58.35000  112.70000
   50    71    58    75.00000  113.73300
   50    71    64    58.35000  112.70000
   50    71    72    37.50000  110.70000
   52    50    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    75.00000  113.73300
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    58    59    80.00000  110.40700
   55    58    71    80.00000  110.40700
   57    55    56    33.00000  107.80000
   58    55    56    50.00000  110.15500
   58    55    57    50.00000  110.15500
   58    59    60    50.00000  110.15500
   58    59    61    50.00000  110.15500
   58    59    62    75.00000  113.73300
   58    71    64    75.00000  113.73300
   58    71    72    50.00000  110.15500
   59    62    63    37.50000  110.70000
   59    62    64    58.35000  112.70000
   59    62    66    50.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    64    65    37.50000  110.70000
   62    64    68    58.35000  112.70000
   62    64    71    58.35000  112.70000
   62    66    67    55.00000  108.50000
   64    62    63    37.50000  110.70000
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    68    73    50.00000  109.50000
   64    71    72    37.50000  110.70000
   68    64    65    37.50000  110.70000
   68    73    74    83.00000  116.90000
   70    68    69    33.00000  107.80000
   73    68    69    35.00000  109.50000
   73    68    70    35.00000  109.50000
   73    74    75    83.00000  123.40000
   73    74    76    81.00000  111.40000
   74    76    77    70.00000  109.06800
   74    76    78    63.00000  111.10000
   74    76    82    90.00000  109.61100
   76    74    75    80.00000  120.40000
   76    77    46    65.00000  117.92700
   76    77    84    70.00000  124.00000
   76    78    79    37.50000  110.70000
   76    78    80    37.50000  110.70000
   76    78    81    37.50000  110.70000
   76    82    83    55.00000  108.50000
   77    46    47    35.00000  109.50000
   77    46    48    35.00000  109.50000
   77    84    85    35.00000  120.00000
   77    84    86    35.00000  120.00000
   46    38    39    37.50000  110.70000
   46    38    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   84    77    46    70.00000  124.00000
   86    84    85    35.00000  117.00000
   78    76    77    70.00000  112.02700
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    76    77    90.00000  110.39200
   82    76    78    50.00000  109.50000
   71    50    51    37.50000  110.70000
   71    50    52    58.35000  112.70000
   71    58    59    80.00000  110.40700
   71    64    65    37.50000  110.70000
   71    64    68    58.35000  112.70000
   66    62    63    35.00000  109.50000
   66    62    64    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    38    46   0.44750  1.0 1.0
   29    33    38    46  -0.17800 -1.0 2.0
   29    33    38    46   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    38    44    45   0.30150 -1.0 2.0
   33    38    44    49   0.36750  1.0 3.0
   33    38    46    77   0.34400  1.0 1.0
   33    38    46    77   0.09450 -1.0 2.0
   33    38    46    77   0.11100  1.0 3.0
   33    38    46    47   0.15000  1.0 3.0
   33    38    46    48   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    44  -0.11250  1.0 3.0
   34    33    38    46   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    43   0.15000  1.0 3.0
   38    44    49    50   1.63150  1.0 1.0
   38    44    49    50   2.92000 -1.0 2.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    49   0.00000  1.0 1.0
   39    38    46    77   0.15000  1.0 3.0
   39    38    46    47   0.15000  1.0 3.0
   39    38    46    48   0.15000  1.0 3.0
   44    38    46    77  -0.98800  1.0 1.0
   44    38    46    77   0.48800 -1.0 2.0
   44    38    46    77   0.76800  1.0 3.0
   44    38    46    47  -0.11250  1.0 3.0
   44    38    46    48  -0.11250  1.0 3.0
   44    49    50    51   0.08050  1.0 3.0
   44    49    50    52  -0.25900  1.0 1.0
   44    49    50    52  -0.47000 -1.0 2.0
   44    49    50    52   0.11750  1.0 3.0
   44    49    50    71  -0.25900  1.0 1.0
   44    49    50    71  -0.47000 -1.0 2.0
   44    49    50    71   0.11750  1.0 3.0
   45    44    49    50   3.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    54   0.23400  1.0 3.0
   49    50    52    55   0.62750  1.0 1.0
   49    50    52    55  -0.30950 -1.0 2.0
   49    50    52    55   0.27300  1.0 3.0
   49    50    71    58   0.63850  1.0 1.0
   49    50    71    58   0.02700 -1.0 2.0
   49    50    71    64   0.62750  1.0 1.0
   49    50    71    64  -0.30950 -1.0 2.0
   49    50    71    64   0.27300  1.0 3.0
   49    50    71    72   0.23400  1.0 3.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    57   0.15000  1.0 3.0
   50    52   -55    58   1.53400  1.0 1.0
   50    52   -55    58  -0.09950 -1.0 2.0
   50    52   -55    58   0.05700  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    71    58   0.15000  1.0 3.0
   51    50    71    64   0.15000  1.0 3.0
   51    50    71    72   0.15000  1.0 3.0
   52    50   -71    58   1.53400  1.0 1.0
   52    50   -71    58  -0.09950 -1.0 2.0
   52    50   -71    58   0.05700  1.0 3.0
   52    50    71    64   0.56750  1.0 1.0
   52    50    71    64  -0.07550 -1.0 2.0
   52    50    71    64   0.20000  1.0 3.0
   52    50    71    72   0.15000  1.0 3.0
   52    55    58    59   1.99000  1.0 1.0
   52    55    58    59   0.18800 -1.0 2.0
   52    55    58    59   0.81350  1.0 3.0
   52    55   -58    71   1.99000  1.0 1.0
   52    55   -58    71   0.18800 -1.0 2.0
   52    55   -58    71   0.81350  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    58   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    58   0.15000  1.0 3.0
   55    58    59    60   0.28000  1.0 3.0
   55    58    59    61   0.28000  1.0 3.0
   55    58    59    62   1.99000  1.0 1.0
   55    58    59    62   0.18800 -1.0 2.0
   55    58    59    62   0.81350  1.0 3.0
   55    58   -71    50   1.99000  1.0 1.0
   55    58   -71    50   0.18800 -1.0 2.0
   55    58   -71    50   0.81350  1.0 3.0
   55    58    71    64   1.99000  1.0 1.0
   55    58    71    64   0.18800 -1.0 2.0
   55    58    71    64   0.81350  1.0 3.0
   55    58    71    72   0.28000  1.0 3.0
   56    55    58    59   0.28000  1.0 3.0
   56    55    58    71   0.28000  1.0 3.0
   57    55    58    59   0.28000  1.0 3.0
   57    55    58    71   0.28000  1.0 3.0
   58    59    62    63   0.15000  1.0 3.0
   58    59   -62    64   1.53400  1.0 1.0
   58    59   -62    64  -0.09950 -1.0 2.0
   58    59   -62    64   0.05700  1.0 3.0
   58    59    62    66   3.18500  1.0 1.0
   59    58    71    50   1.99000  1.0 1.0
   59    58    71    50   0.18800 -1.0 2.0
   59    58    71    50   0.81350  1.0 3.0
   59    58   -71    64   1.99000  1.0 1.0
   59    58   -71    64   0.18800 -1.0 2.0
   59    58   -71    64   0.81350  1.0 3.0
   59    58    71    72   0.28000  1.0 3.0
   59    62    64    65   0.15000  1.0 3.0
   59    62    64    68   0.56750  1.0 1.0
   59    62    64    68  -0.07550 -1.0 2.0
   59    62    64    68   0.20000  1.0 3.0
   59    62   -64    71   0.56750  1.0 1.0
   59    62   -64    71  -0.07550 -1.0 2.0
   59    62   -64    71   0.20000  1.0 3.0
   59    62    66    67  -0.11600  1.0 1.0
   59    62    66    67  -0.09450 -1.0 2.0
   59    62    66    67   0.21250  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64   0.15000  1.0 3.0
   60    59    62    66   0.23400  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    64   0.15000  1.0 3.0
   61    59    62    66   0.23400  1.0 3.0
   62    64    68    69   0.15000  1.0 3.0
   62    64    68    70   0.15000  1.0 3.0
   62    64    68    73   0.62750  1.0 1.0
   62    64    68    73  -0.30950 -1.0 2.0
   62    64    68    73   0.27300  1.0 3.0
   62    64    71    50   0.56750  1.0 1.0
   62    64    71    50  -0.07550 -1.0 2.0
   62    64    71    50   0.20000  1.0 3.0
   62    64   -71    58   1.53400  1.0 1.0
   62    64   -71    58  -0.09950 -1.0 2.0
   62    64   -71    58   0.05700  1.0 3.0
   62    64    71    72   0.15000  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    68   0.15000  1.0 3.0
   63    62    64    71   0.15000  1.0 3.0
   63    62    66    67   0.19450  1.0 3.0
   64    62    66    67  -0.11600  1.0 1.0
   64    62    66    67  -0.09450 -1.0 2.0
   64    62    66    67   0.21250  1.0 3.0
   64    68    73    74  -0.25900  1.0 1.0
   64    68    73    74  -0.47000 -1.0 2.0
   64    68    73    74   0.11750  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    70   0.15000  1.0 3.0
   65    64    68    73   0.23400  1.0 3.0
   65    64    71    50   0.15000  1.0 3.0
   65    64    71    58   0.15000  1.0 3.0
   65    64    71    72   0.15000  1.0 3.0
   68    64    71    50   0.56750  1.0 1.0
   68    64    71    50  -0.07550 -1.0 2.0
   68    64    71    50   0.20000  1.0 3.0
   68    64    71    58   1.53400  1.0 1.0
   68    64    71    58  -0.09950 -1.0 2.0
   68    64    71    58   0.05700  1.0 3.0
   68    64    71    72   0.15000  1.0 3.0
   68    73    74    75   3.00000 -1.0 2.0
   68    73    74    76   1.63150  1.0 1.0
   68    73    74    76   2.92000 -1.0 2.0
   69    68    73    74   0.08050  1.0 3.0
   70    68    73    74   0.08050  1.0 3.0
   73    74    76    77   0.40000  1.0 3.0
   73    74    76    78   0.36750  1.0 3.0
   73    74    76    82   0.30750  1.0 1.0
   73    74    76    82   1.13850 -1.0 2.0
   73    74    76    82   0.38850  1.0 3.0
   74    76    77    46   0.17250  1.0 1.0
   74    76    77    46  -0.04100 -1.0 2.0
   74    76    77    46  -0.33850  1.0 3.0
   74    76    77    84  -0.51250  1.0 1.0
   74    76    77    84  -0.88800 -1.0 2.0
   74    76    77    84   0.08850  1.0 3.0
   74    76    78    79  -0.11250  1.0 3.0
   74    76    78    80  -0.11250  1.0 3.0
   74    76    78    81  -0.11250  1.0 3.0
   74    76    82    83   0.91850  1.0 1.0
   74    76    82    83   0.57950  1.0 3.0
   75    74    76    77   0.30150 -1.0 2.0
   75    74    76    78   0.30150 -1.0 2.0
   75    74    76    82   0.30150 -1.0 2.0
   76    77    46    38   0.46850  1.0 1.0
   76    77    46    38   0.08550 -1.0 2.0
   76    77    46    38   0.09800  1.0 3.0
   76    77    46    47   0.34800  1.0 3.0
   76    77    46    48   0.34800  1.0 3.0
   76    77    84    85   7.00000 -1.0 2.0
   76    77    84    86   7.00000 -1.0 2.0
   77    76    78    79   0.15000  1.0 3.0
   77    76    78    80   0.15000  1.0 3.0
   77    76    78    81   0.15000  1.0 3.0
   77    76    82    83  -0.07800  1.0 1.0
   77    76    82    83  -0.21500 -1.0 2.0
   77    76    82    83  -0.03150  1.0 3.0
   46    38    44    45   0.30150 -1.0 2.0
   46    38    44    49   0.36750  1.0 3.0
   46    77    84    85   7.00000 -1.0 2.0
   46    77    84    86   7.00000 -1.0 2.0
   84    77    46    38   0.09850  1.0 1.0
   84    77    46    38   0.15250 -1.0 2.0
   84    77    46    38  -0.50650  1.0 3.0
   84    77    46    47   0.00000  1.0 1.0
   84    77    46    48   0.00000  1.0 1.0
   78    76    77    46   0.46850  1.0 1.0
   78    76    77    46   0.08550 -1.0 2.0
   78    76    77    46   0.09800  1.0 3.0
   78    76    77    84   0.09850  1.0 1.0
   78    76    77    84   0.15250 -1.0 2.0
   78    76    77    84  -0.50650  1.0 3.0
   78    76    82    83  -0.11600  1.0 1.0
   78    76    82    83  -0.09450 -1.0 2.0
   78    76    82    83   0.21250  1.0 3.0
   82    76    77    46   0.18000  1.0 1.0
   82    76    77    46   0.16450 -1.0 2.0
   82    76    77    46   0.04450  1.0 3.0
   82    76    77    84   0.67800  1.0 1.0
   82    76    77    84   0.47050 -1.0 2.0
   82    76    77    84  -0.62500  1.0 3.0
   82    76    78    79   0.23400  1.0 3.0
   82    76    78    80   0.23400  1.0 3.0
   82    76    78    81   0.23400  1.0 3.0
   71    50    52    53   0.15000  1.0 3.0
   71    50    52    54   0.15000  1.0 3.0
   71    50   -52    55   0.56750  1.0 1.0
   71    50   -52    55  -0.07550 -1.0 2.0
   71    50   -52    55   0.20000  1.0 3.0
   71    58    59    60   0.28000  1.0 3.0
   71    58    59    61   0.28000  1.0 3.0
   71    58   -59    62   1.99000  1.0 1.0
   71    58   -59    62   0.18800 -1.0 2.0
   71    58   -59    62   0.81350  1.0 3.0
   71    64    68    69   0.15000  1.0 3.0
   71    64    68    70   0.15000  1.0 3.0
   71    64    68    73   0.62750  1.0 1.0
   71    64    68    73  -0.30950 -1.0 2.0
   71    64    68    73   0.27300  1.0 3.0
   66    62    64    65   0.23400  1.0 3.0
   66    62    64    68   0.86500  1.0 1.0
   66    62    64    68  -0.17500 -1.0 2.0
   66    62    64    68   0.20800  1.0 3.0
   66    62    64    71   0.86500  1.0 1.0
   66    62    64    71  -0.17500 -1.0 2.0
   66    62    64    71   0.20800  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    44  -0.95700  1.0 1.0
   40    33    38    44  -0.18200 -1.0 2.0
   40    33    38    44   0.29450  1.0 3.0
   40    33    38    46   0.56750  1.0 1.0
   40    33    38    46  -0.07550 -1.0 2.0
   40    33    38    46   0.20000  1.0 3.0
IPHI
    9     5     7     8  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    35    36  10.50000 -1.0 2.0
   38    49    44    45  10.50000 -1.0 2.0
   73    76    74    75  10.50000 -1.0 2.0
   76    46    77    84   1.10000 -1.0 2.0
   85    86    84    77   1.10000 -1.0 2.0
END
