* LIGAND DATABASE FILE (OPLS2005)
*
001      86    90    168    270     495
    1     0 S   NP   _N1_     1    28.66063    94.05583   -21.73057
    2     1 S   H    _HN1     2     1.02778    92.48705   -80.99852
    3     1 S   H    _H1_     3     1.02957    91.25264    27.41270
    4     1 S   H    _H2_     4     1.02836    27.65432   153.58927
    5     1 S   CT   _CA1     5     1.50130   138.37289   150.74646
    6     5 S   HC   _HA1     6     1.09568   105.24044    60.67031
    7     5 S   CO3  _C1_     7     1.53825   112.31085   -59.59573
    8     7 S   O2Z  _O11     8     1.26377   115.00527   -43.93468
    9     7 S   O2Z  _O12     9     1.26221   114.96976   135.22945
   10     5 S   CT   _CB1    10     1.53102   107.41567   178.66221
   11    10 S   HC   HB11    11     1.09821   109.47734   -49.36816
   12    10 S   HC   HB12    12     1.09819   110.37065    67.23551
   13    10 S   CT   _CG1    13     1.52993   112.63091  -170.41138
   14    13 S   HC   HG11    14     1.09514   110.43523   -61.06880
   15    13 S   HC   HG12    15     1.09644   110.01646    58.00441
   16    13 S   C    _CD1    16     1.51835   112.27609   178.24710
   17    16 S   O    _OE1    17     1.22722   123.23662    -6.51617
   18    16 S   N    _N2_    18     1.38584   111.67303   174.04606
   19    18 S   H    _HN2    19     1.01622   118.91421     0.24549
   20    18 S   CT1  _CA2    20     1.46274   123.52258  -179.94405
   21    20 S   HC   _HA2    21     1.09726   109.47357    -7.75497
   22    20 S   C    _C2_    22     1.53444   108.41013  -123.46794
   23    22 S   O    _O2_    23     1.23024   122.16902  -146.05103
   24    20 S   CT   _CB2    32     1.53392   111.16920   114.37117
   25    24 S   HC   HB21    33     1.09398   109.33426    55.31041
   26    24 S   HC   HB22    34     1.09502   110.80700   173.79973
   27    22 S   N    _N3_    24     1.38484   113.44702    41.32843
   28    27 S   H    _HN3    25     1.01518   118.90619    -0.86660
   29    24 S   S    _SG2    35     1.82751   111.45133   -66.80341
   30    27 S   CT   _CA3    26     1.45462   123.58242   175.14667
   31    30 S   HC   HA31    27     1.09515   109.38946    21.20484
   32    30 S   HC   HA32    28     1.09501   107.07836   138.23241
   33    29 S   CT   _C22    36     1.83574   100.05815   156.81804
   34    33 S   HC   _H3_    37     1.09718   105.22098    52.49448
   35    30 S   CO3  _C3_    29     1.52921   113.02907  -102.38178
   36    35 S   O2Z  _O31    30     1.26411   115.38010   -44.87405
   37    35 S   O2Z  _O32    31     1.26351   114.99995   136.03660
   38    33 S   CT   _C18    38     1.54649   115.13908   -68.64184
   39    38 S   HC   _H41    39     1.09811   107.07491    79.08094
   40    38 S   CT   _C19    40     1.55090   111.85296  -161.50411
   41    40 S   HC   _H42    41     1.09901   109.88629    95.86353
   42    38 S   CO4  _C12    80     1.52346   113.62614   -37.28583
   43    42 S   O    _O24    81     1.22567   122.94146   120.19266
   44    40 S   CT   _C14    42     1.53904   111.21337  -146.09738
   45    44 S   HC   _H34    43     1.09904   110.02465    53.32245
   46    44 S   HC   _H35    44     1.09724   109.01373   -63.06668
   47    40 S   CT   _C20    71     1.53788   110.56705   -22.64779
   48    47 S   HC   _H43    72     1.10171   106.63293   -57.91992
   49    42 S   OS   _O26    82     1.36254   111.32712   -59.85621
   50    44 S   CT   _C17    45     1.53522   111.15497   175.14255
   51    50 S   HC   _H40    46     1.09972   109.18043    61.64720
   52    47 S   CT   _C21    73     1.55044   110.51999    57.32734
   53    52 S   HC   _H44    74     1.09726   108.46976  -148.67257
   54    49 S   CT   _C24    83     1.43038   115.50407   178.91574
   55    54 S   HC   _H49    84     1.09320   108.09430   172.05937
   56    54 S   HC   _H50    85     1.09430   110.86147    53.16032
   57    54 S   HC   _H51    86     1.09329   109.70106   -69.57420
   58    50 S   C5A  _C11    47     1.49864   112.37886  -179.40884
   59    33 S   OS   _O25    75     1.42831   109.96484   168.02790
   60    52 S   CT   _C23    76     1.52585   114.98613    90.66999
   61    60 S   HC   _H46    77     1.09537   110.99019   -57.64506
   62    60 S   HC   _H47    78     1.09598   110.35741  -175.48933
   63    60 S   HC   _H48    79     1.09361   111.93668    64.38263
   64    58 S   C5B  _C9_    48     1.37925   125.13811   139.50004
   65    58 S   NA   _N22    59     1.36648   126.59834   -44.14012
   66    65 S   H    _H52    60     1.01069   125.60496     1.81628
   67    64 S   C56B _C8_    49     1.42053   107.77784   178.29866
   68    64 S   CT   _C13    61     1.48868   121.07053    -2.34844
   69    68 S   HC   _H32    62     1.09557   110.56574   136.88307
   70    68 S   HC   _H33    63     1.09700   108.76290  -105.00954
   71    67 S   CA   _C6_    50     1.40916   134.47522   179.32711
   72    71 S   HA   _H30    51     1.08615   120.72555    -0.15323
   73    68 S   CT   _C15    64     1.54744   110.73077    15.33124
   74    73 S   HC   _H36    65     1.09846   109.90384    76.81136
   75    73 S   HC   _H37    66     1.09689   107.68900  -166.77474
   76    71 S   CA   _C4_    52     1.39950   119.27194   179.85463
   77    76 S   HA   _H28    53     1.08686   119.52187   179.96574
   78    50 S   NT   _N23    67     1.49033   109.06000   -58.00751
   79    76 S   CA   _C5_    54     1.39328   120.76195    -0.05595
   80    79 S   HA   _H29    55     1.08715   119.55482  -179.96574
   81    78 S   CT   _C16    68     1.46902   110.64033    63.54412
   82    81 S   HC   _H38    69     1.09704   109.73908   178.78743
   83    81 S   HC   _H39    70     1.09688   109.79617    60.71292
   84    79 S   CA   _C7_    56     1.39786   121.04906     0.00000
   85    84 S   HA   _H31    57     1.08493   120.91279  -179.95154
   86    67 S   C56A _C10    58     1.39900   106.78668    -0.82803
  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   8   5   4   3
  14   6   2   1   1  16   8  20   9   9   2  13   6   5  14   8
   4  15   6  10   6   3   2   1   1  13   5   4   2   1   1  15
   9   3  12   9   5   4   7   4   6   3   2   6   3   3   4   3
   2   1   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    59    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    52    59    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    52    53    59    60    42    43    49  
   38    39    40    52    59    42  
   36    37  
   37  
    0  
   39    40    41    44    45    46    50    81    47    48    52    59    42    43    49    54  
   40    41    44    47    59    42    43    49  
   41    44    45    46    50    51    58    78    81    82    83    47    48    52    53    59    60    42    43    49  
   44    45    46    50    81    47    48    52    42  
   43    49    54    55    56    57    44    47    59  
   49    54  
   45    46    50    51    58    64    65    73    78    81    47    48    52  
   46    50    51    58    78    47  
   50    51    58    78    47  
   48    52    53    59    60    61    62    63    50    73    78    81    82    83  
   52    53    59    60    78    81    82    83  
   54    55    56    57  
   51    58    64    67    86    65    66    68    73    74    75    78    81    82    83  
   58    64    65    73    78    81  
   53    59    60    61    62    63    78    81    82    83  
   59    60    61    62    63    81  
   55    56    57  
   56    57  
   57  
    0  
   64    67    71    84    86    65    66    68    69    70    73    78    81  
   60    61    62    63    81  
   61    62    63    81  
   62    63  
   63  
    0  
   67    71    72    76    84    86    65    66    68    69    70    73    74    75    78  
   66    68    78    67    71    79    84    85    86  
   67    84    86  
   71    72    76    77    79    84    85    86    68    69    70    73  
   69    70    73    74    75    78    81    71    86  
   70    73    74    75    78  
   73    74    75    78  
   72    76    77    79    80    84    86  
   76    77    79    86  
   74    75    78    81    82    83  
   75    78    81  
   78    81  
   77    79    80    84    85    86  
   79    80    84  
   81    82    83  
   80    84    85    86  
   84    85    86  
   82    83  
   83  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   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   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   59   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   65   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   66   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   73   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   78   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   79   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   81   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   86   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
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    59   320.000  1.410
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   317.000  1.522
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    47   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   268.000  1.529
   50    51   340.000  1.090
   50    58   295.000  1.489
   50    78   382.000  1.448
   58    64   520.000  1.370
   58    65   427.000  1.381
   64    67   380.000  1.440
   64    68   295.000  1.494
   67    71   469.000  1.404
   67    86   447.000  1.419
   71    72   367.000  1.080
   71    76   469.000  1.400
   76    77   367.000  1.080
   76    79   469.000  1.400
   79    80   367.000  1.080
   79    84   469.000  1.400
   84    85   367.000  1.080
   84    86   469.000  1.400
   86    65   428.000  1.380
   65    66   434.000  1.010
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    78   382.000  1.448
   78    81   382.000  1.448
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    47   268.000  1.529
   47    48   340.000  1.090
   47    52   268.000  1.529
   52    53   340.000  1.090
   52    59   320.000  1.410
   52    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   42    43   570.000  1.229
   42    49   214.000  1.327
   49    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    59    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    63.00000  111.10000
   33    59    52    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    47    58.35000  112.70000
   38    42    43    80.00000  120.40000
   38    42    49    81.00000  111.40000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    50    58.35000  112.70000
   40    47    81    58.35000  112.70000
   40    47    48    37.50000  110.70000
   40    47    52    58.35000  112.70000
   44    40    41    37.50000  110.70000
   44    50    51    37.50000  110.70000
   44    50    58    70.00000  113.44400
   44    50    78    56.20000  109.47000
   46    44    45    33.00000  107.80000
   50    44    45    37.50000  110.70000
   50    44    46    37.50000  110.70000
   50    58    64    55.00000  130.44200
   50    58    65    65.00000  122.56900
   50    78    73    51.80000  107.20000
   50    78    81    51.80000  107.20000
   58    50    51    45.00000  110.47400
   58    64    67    80.00000  105.82900
   58    64    68    55.00000  127.77900
   58    65    86    90.00000  107.14200
   58    65    66    35.00000  120.00000
   64    67    71    50.00000  134.85500
   64    67    86    80.00000  107.43600
   64    68    69    45.00000  111.11700
   64    68    70    45.00000  111.11700
   64    68    73    70.00000  112.62400
   67    71    72    35.00000  120.00000
   67    71    76    63.00000  120.00000
   67    86    84    85.00000  122.70000
   67    86    65    70.00000  104.40000
   71    76    77    35.00000  120.00000
   71    76    79    63.00000  120.00000
   76    71    72    35.00000  120.00000
   76    79    80    35.00000  120.00000
   76    79    84    63.00000  120.00000
   79    76    77    35.00000  120.00000
   79    84    85    35.00000  120.00000
   79    84    86    85.00000  120.00000
   84    79    80    35.00000  120.00000
   84    86    65    70.00000  132.80000
   86    67    71    85.00000  116.20000
   86    84    85    35.00000  120.00000
   86    65    66    35.00000  123.10000
   65    58    64    70.00000  106.30000
   68    64    67    55.00000  128.73000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    78    56.20000  109.47000
   70    68    69    33.00000  107.80000
   73    68    69    37.50000  110.70000
   73    68    70    37.50000  110.70000
   73    78    81    51.80000  107.20000
   75    73    74    33.00000  107.80000
   78    50    51    35.00000  109.50000
   78    50    58    75.00000  112.58000
   78    73    74    35.00000  109.50000
   78    73    75    35.00000  109.50000
   78    81    82    35.00000  109.50000
   78    81    83    35.00000  109.50000
   78    81    47    56.20000  109.47000
   81    47    48    37.50000  110.70000
   81    47    52    58.35000  112.70000
   83    81    82    33.00000  107.80000
   47    40    41    37.50000  110.70000
   47    40    44    58.35000  112.70000
   47    81    82    37.50000  110.70000
   47    81    83    37.50000  110.70000
   47    52    53    37.50000  110.70000
   47    52    59    50.00000  109.50000
   47    52    60    58.35000  112.70000
   52    47    48    37.50000  110.70000
   52    60    61    37.50000  110.70000
   52    60    62    37.50000  110.70000
   52    60    63    37.50000  110.70000
   59    33    34    35.00000  109.50000
   59    33    38    50.00000  109.50000
   59    52    53    35.00000  109.50000
   60    52    53    37.50000  110.70000
   60    52    59    50.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    63.00000  111.10000
   42    49    54    83.00000  116.90000
   49    42    43    83.00000  123.40000
   49    54    55    35.00000  109.50000
   49    54    56    35.00000  109.50000
   49    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    59   0.13850  1.0 1.0
   24    29    33    59  -1.34450 -1.0 2.0
   24    29    33    59   0.57400  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    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    59    52   0.14700  1.0 1.0
   29    33    59    52  -1.16150 -1.0 2.0
   29    33    59    52   0.48700  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    47   0.56750  1.0 1.0
   33    38    40    47  -0.07550 -1.0 2.0
   33    38    40    47   0.20000  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    49   0.36750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42  -0.11250  1.0 3.0
   34    33    59    52   0.37050  1.0 3.0
   38    33    59    52   0.06250  1.0 1.0
   38    33    59    52  -0.01100 -1.0 2.0
   38    33    59    52   0.28050  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40    44    46   0.15000  1.0 3.0
   38    40    44    50   0.56750  1.0 1.0
   38    40    44    50  -0.07550 -1.0 2.0
   38    40    44    50   0.20000  1.0 3.0
   38    40    47    81   0.56750  1.0 1.0
   38    40    47    81  -0.07550 -1.0 2.0
   38    40    47    81   0.20000  1.0 3.0
   38    40    47    48   0.15000  1.0 3.0
   38    40   -47    52   0.56750  1.0 1.0
   38    40   -47    52  -0.07550 -1.0 2.0
   38    40   -47    52   0.20000  1.0 3.0
   38    42    49    54   1.63150  1.0 1.0
   38    42    49    54   2.92000 -1.0 2.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    47   0.15000  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    49   0.00000  1.0 1.0
   40    38    42    43   0.30150 -1.0 2.0
   40    38    42    49   0.36750  1.0 3.0
   40    44    50    51   0.15000  1.0 3.0
   40    44    50    58  -0.03700  1.0 1.0
   40    44    50    58   0.37200 -1.0 2.0
   40    44    50    58  -0.47300  1.0 3.0
   40    44    50    78   1.53400  1.0 1.0
   40    44    50    78  -0.09950 -1.0 2.0
   40    44    50    78   0.05700  1.0 3.0
   40    47    52    53   0.15000  1.0 3.0
   40    47    52    59   0.62750  1.0 1.0
   40    47    52    59  -0.30950 -1.0 2.0
   40    47    52    59   0.27300  1.0 3.0
   40    47    52    60   0.56750  1.0 1.0
   40    47    52    60  -0.07550 -1.0 2.0
   40    47    52    60   0.20000  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    50   0.15000  1.0 3.0
   41    40    47    81   0.15000  1.0 3.0
   41    40    47    48   0.15000  1.0 3.0
   41    40    47    52   0.15000  1.0 3.0
   44    40    47    81   0.56750  1.0 1.0
   44    40    47    81  -0.07550 -1.0 2.0
   44    40    47    81   0.20000  1.0 3.0
   44    40    47    48   0.15000  1.0 3.0
   44    40    47    52   0.56750  1.0 1.0
   44    40    47    52  -0.07550 -1.0 2.0
   44    40    47    52   0.20000  1.0 3.0
   44    50    58    64   0.04150 -1.0 2.0
   44    50    58    65   0.39850  1.0 1.0
   44    50    58    65   0.06450 -1.0 2.0
   44    50    58    65   0.32400  1.0 3.0
   44    50    78    73   0.23450  1.0 1.0
   44    50    78    73   0.02050 -1.0 2.0
   44    50    78    73   0.25250  1.0 3.0
   44    50   -78    81   0.23450  1.0 1.0
   44    50   -78    81   0.02050 -1.0 2.0
   44    50   -78    81   0.25250  1.0 3.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    58   0.43200  1.0 3.0
   45    44    50    78   0.15000  1.0 3.0
   46    44    50    51   0.15000  1.0 3.0
   46    44    50    58   0.43200  1.0 3.0
   46    44    50    78   0.15000  1.0 3.0
   50    58    64    67   3.62500 -1.0 2.0
   50    58    64    68   3.62500 -1.0 2.0
   50    58    65    86   3.62500 -1.0 2.0
   50    58    65    66   2.00000 -1.0 2.0
   50    78    81    82   0.28000  1.0 3.0
   50    78    81    83   0.28000  1.0 3.0
   50    78    81    47   0.23450  1.0 1.0
   50    78    81    47   0.02050 -1.0 2.0
   50    78    81    47   0.25250  1.0 3.0
   51    50    58    64   0.00000  1.0 1.0
   51    50    58    65   0.00000  1.0 1.0
   51    50    78    73   0.28000  1.0 3.0
   51    50    78    81   0.28000  1.0 3.0
   58    50    78    73   0.82600  1.0 1.0
   58    50    78    73  -0.32100 -1.0 2.0
   58    50    78    73   1.02000  1.0 3.0
   58    50    78    81   0.82600  1.0 1.0
   58    50    78    81  -0.32100 -1.0 2.0
   58    50    78    81   1.02000  1.0 3.0
   58    64    67    71   3.62500 -1.0 2.0
   58    64   -67    86   3.50000 -1.0 2.0
   58    64    68    69   0.00000  1.0 1.0
   58    64    68    70   0.00000  1.0 1.0
   58    64   -68    73   0.04150 -1.0 2.0
   64    58   -65    86   3.62500 -1.0 2.0
   64    58    65    66   1.40000 -1.0 2.0
   64    67    71    72   3.62500 -1.0 2.0
   64    67    71    76   3.62500 -1.0 2.0
   64    67    86    84   3.00000 -1.0 2.0
   64    67   -86    65   3.00000 -1.0 2.0
   64    68    73    74   0.43200  1.0 3.0
   64    68    73    75   0.43200  1.0 3.0
   64    68    73    78   0.83750  1.0 1.0
   64    68    73    78   0.32200 -1.0 2.0
   64    68    73    78   0.70600  1.0 3.0
   67    64    68    69   0.00000  1.0 1.0
   67    64    68    70   0.00000  1.0 1.0
   67    64    68    73   0.04150 -1.0 2.0
   67    71    76    77   3.62500 -1.0 2.0
   67    71    76    79   3.62500 -1.0 2.0
   67    86   -65    58   3.62500 -1.0 2.0
   67    86    65    66   1.52500 -1.0 2.0
   71    67    86    84   3.00000 -1.0 2.0
   71    67    86    65   3.00000 -1.0 2.0
   71    76    79    80   3.62500 -1.0 2.0
   71    76   -79    84   3.62500 -1.0 2.0
   72    71    76    77   3.62500 -1.0 2.0
   72    71    76    79   3.62500 -1.0 2.0
   76    79    84    85   3.62500 -1.0 2.0
   76    79    84    86   3.62500 -1.0 2.0
   77    76    79    80   3.62500 -1.0 2.0
   77    76    79    84   3.62500 -1.0 2.0
   79    84   -86    67   3.62500 -1.0 2.0
   79    84    86    65   3.62500 -1.0 2.0
   80    79    84    85   3.62500 -1.0 2.0
   80    79    84    86   3.62500 -1.0 2.0
   84    86    65    58   3.62500 -1.0 2.0
   84    86    65    66   1.52500 -1.0 2.0
   85    84    86    67   3.62500 -1.0 2.0
   85    84    86    65   3.62500 -1.0 2.0
   86    67    71    72   3.50000 -1.0 2.0
   86    67   -71    76   3.50000 -1.0 2.0
   65    58   -64    67   3.62500 -1.0 2.0
   65    58    64    68   3.62500 -1.0 2.0
   68    64    67    71   3.62500 -1.0 2.0
   68    64    67    86   3.62500 -1.0 2.0
   68    73   -78    50   0.23450  1.0 1.0
   68    73   -78    50   0.02050 -1.0 2.0
   68    73   -78    50   0.25250  1.0 3.0
   68    73    78    81   0.23450  1.0 1.0
   68    73    78    81   0.02050 -1.0 2.0
   68    73    78    81   0.25250  1.0 3.0
   69    68    73    74   0.15000  1.0 3.0
   69    68    73    75   0.15000  1.0 3.0
   69    68    73    78   0.15000  1.0 3.0
   70    68    73    74   0.15000  1.0 3.0
   70    68    73    75   0.15000  1.0 3.0
   70    68    73    78   0.15000  1.0 3.0
   73    78    81    82   0.28000  1.0 3.0
   73    78    81    83   0.28000  1.0 3.0
   73    78    81    47   0.23450  1.0 1.0
   73    78    81    47   0.02050 -1.0 2.0
   73    78    81    47   0.25250  1.0 3.0
   74    73    78    50   0.28000  1.0 3.0
   74    73    78    81   0.28000  1.0 3.0
   75    73    78    50   0.28000  1.0 3.0
   75    73    78    81   0.28000  1.0 3.0
   78    50   -58    64   0.18550 -1.0 2.0
   78    50   -58    64   0.14000  1.0 3.0
   78    50    58    65   0.04300 -1.0 2.0
   78    81   -47    40   1.53400  1.0 1.0
   78    81   -47    40  -0.09950 -1.0 2.0
   78    81   -47    40   0.05700  1.0 3.0
   78    81    47    48   0.15000  1.0 3.0
   78    81    47    52   1.53400  1.0 1.0
   78    81    47    52  -0.09950 -1.0 2.0
   78    81    47    52   0.05700  1.0 3.0
   81    47    52    53   0.15000  1.0 3.0
   81    47    52    59   0.62750  1.0 1.0
   81    47    52    59  -0.30950 -1.0 2.0
   81    47    52    59   0.27300  1.0 3.0
   81    47    52    60   0.56750  1.0 1.0
   81    47    52    60  -0.07550 -1.0 2.0
   81    47    52    60   0.20000  1.0 3.0
   82    81    47    40   0.15000  1.0 3.0
   82    81    47    48   0.15000  1.0 3.0
   82    81    47    52   0.15000  1.0 3.0
   83    81    47    40   0.15000  1.0 3.0
   83    81    47    48   0.15000  1.0 3.0
   83    81    47    52   0.15000  1.0 3.0
   47    40    44    45   0.15000  1.0 3.0
   47    40    44    46   0.15000  1.0 3.0
   47    40   -44    50   0.56750  1.0 1.0
   47    40   -44    50  -0.07550 -1.0 2.0
   47    40   -44    50   0.20000  1.0 3.0
   47    52   -59    33   0.06250  1.0 1.0
   47    52   -59    33  -0.01100 -1.0 2.0
   47    52   -59    33   0.28050  1.0 3.0
   47    52    60    61   0.15000  1.0 3.0
   47    52    60    62   0.15000  1.0 3.0
   47    52    60    63   0.15000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    59   0.23400  1.0 3.0
   48    47    52    60   0.15000  1.0 3.0
   53    52    59    33   0.37050  1.0 3.0
   53    52    60    61   0.15000  1.0 3.0
   53    52    60    62   0.15000  1.0 3.0
   53    52    60    63   0.15000  1.0 3.0
   59    33    38    39   0.23400  1.0 3.0
   59    33   -38    40   0.62750  1.0 1.0
   59    33   -38    40  -0.30950 -1.0 2.0
   59    33   -38    40   0.27300  1.0 3.0
   59    33    38    42  -0.09450  1.0 1.0
   59    33    38    42  -1.12950 -1.0 2.0
   59    33    38    42   0.54000  1.0 3.0
   59    52    60    61   0.23400  1.0 3.0
   59    52    60    62   0.23400  1.0 3.0
   59    52    60    63   0.23400  1.0 3.0
   60    52    59    33   0.06250  1.0 1.0
   60    52    59    33  -0.01100 -1.0 2.0
   60    52    59    33   0.28050  1.0 3.0
   42    38    40    41  -0.11250  1.0 3.0
   42    38    40    44  -0.95700  1.0 1.0
   42    38    40    44  -0.18200 -1.0 2.0
   42    38    40    44   0.29450  1.0 3.0
   42    38    40    47  -0.95700  1.0 1.0
   42    38    40    47  -0.18200 -1.0 2.0
   42    38    40    47   0.29450  1.0 3.0
   42    49    54    55   0.08050  1.0 3.0
   42    49    54    56   0.08050  1.0 3.0
   42    49    54    57   0.08050  1.0 3.0
   43    42    49    54   3.00000 -1.0 2.0
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
   64    65    58    50   4.00000 -1.0 2.0
   67    68    64    58   4.00000 -1.0 2.0
   71    86    67    64   4.00000 -1.0 2.0
   76    72    71    67   1.10000 -1.0 2.0
   79    77    76    71   1.10000 -1.0 2.0
   84    80    79    76   1.10000 -1.0 2.0
   86    85    84    79   1.10000 -1.0 2.0
   84    65    86    67   4.00000 -1.0 2.0
   66    58    65    86   1.00000 -1.0 2.0
   38    49    42    43  10.50000 -1.0 2.0
END
