* LIGAND DATABASE FILE (OPLS2005)
*
001      89    91    164    241     471
    1     0 S   NP   _N1_     1    30.58546    89.20523   -22.36998
    2     1 S   H    _HN1     2     1.03494   115.35110   -55.66934
    3     1 S   H    _H1_     3     1.03485   118.01423    70.61641
    4     1 S   H    _H2_     4     1.02759    18.27520    12.67123
    5     1 S   CT   _CA1     5     1.49978    93.04338  -172.15810
    6     5 S   HC   _HA1     6     1.09690   104.53902    63.79024
    7     5 S   CO3  _C1_     7     1.54428   111.23390   -51.94881
    8     7 S   O2Z  _O11     8     1.26087   116.79556  -118.70275
    9     7 S   O2Z  _O12     9     1.26631   113.86528    60.77068
   10     5 S   CT   _CB1    10     1.53095   107.22882   179.79537
   11    10 S   HC   HB11    11     1.09828   110.13938   -42.37079
   12    10 S   HC   HB12    12     1.09754   110.21247    74.06564
   13    10 S   CT   _CG1    13     1.53088   112.23090  -162.82592
   14    13 S   HC   HG11    14     1.09484   111.78798   -59.30479
   15    13 S   HC   HG12    15     1.09615   110.47303    59.82477
   16    13 S   C    _CD1    16     1.51238   110.24501   179.33854
   17    16 S   O    _OE1    17     1.22844   121.90092   -98.76366
   18    16 S   N    _N2_    18     1.38318   112.97954    79.92225
   19    18 S   H    _HN2    19     1.01603   119.37392     5.40178
   20    18 S   CT1  _CA2    20     1.45546   122.35191  -175.95039
   21    20 S   HC   _HA2    21     1.09552   108.17100    30.06487
   22    20 S   C    _C2_    22     1.52933   107.97160   -86.42553
   23    22 S   O    _O2_    23     1.22950   123.15317   -26.03052
   24    20 S   CT   _CB2    32     1.53174   112.63324   153.10641
   25    24 S   HC   HB21    33     1.09708   109.36100    68.19589
   26    24 S   HC   HB22    34     1.09518   110.90969  -175.70764
   27    22 S   N    _N3_    24     1.38548   112.41137   156.60173
   28    27 S   H    _HN3    25     1.01693   120.29652    -1.91336
   29    24 S   S    _SG2    35     1.82876   115.82140   -51.02837
   30    27 S   CT   _CA3    26     1.45323   122.46073   178.74212
   31    30 S   HC   HA31    27     1.09567   107.73091   -57.18776
   32    30 S   HC   HA32    28     1.09563   107.67189    59.12012
   33    29 S   CT   _C15    36     1.84835   102.26077   -54.01339
   34    33 S   HC   _H7_    37     1.09365   108.27551    54.75039
   35    30 S   CO3  _C3_    29     1.52879   114.37376  -179.09194
   36    35 S   O2Z  _O31    30     1.26322   116.09501    -1.34188
   37    35 S   O2Z  _O32    31     1.26449   114.38817   178.66046
   38    33 S   CM   _C16    38     1.50149   110.10918   -67.58355
   39    38 S   CMA  _C17    39     1.35302   123.55581   -99.72891
   40    39 S   OM   _O44    40     1.26375   128.98035  -174.79851
   41    38 S   OH   _O45    88     1.38536   115.02676    85.55371
   42    41 S   HO   _H21    89     0.97549   105.95693   177.64698
   43    39 S   CT   _C18    41     1.54692   118.51841     2.48262
   44    43 S   HC   _H8_    42     1.09817   109.04139  -112.21009
   45    43 S   OS   _O43    43     1.44201   113.82949     6.15906
   46    43 S   CT   _C19    84     1.53419   114.22148   126.24069
   47    46 S   HC   _H18    85     1.09623   110.80586   -58.54265
   48    46 S   HC   _H19    86     1.09610   110.30554  -176.33441
   49    46 S   HC   _H20    87     1.09438   112.34591    63.20650
   50    33 S   CT   _C14    44     1.53791   110.74115   172.46740
   51    50 S   HC   _H6_    45     1.09794   110.10502  -175.53274
   52    50 S   OS   _O42    46     1.42431   109.73522   -56.42864
   53    52 S   P2   _P2_    47     1.63136   119.75304  -144.63599
   54    53 S   O2Z  _O41    48     1.51343   107.54425  -176.93005
   55    53 S   O2Z  _O40    49     1.51197   109.33776   -43.87131
   56    53 S   OS   _O39    50     1.62834    98.93677    70.02470
   57    56 S   P2   _P1_    51     1.62851   130.19011   166.40281
   58    57 S   O2Z  _O38    52     1.51207   109.56211    54.59434
   59    57 S   O2Z  _O37    53     1.51374   108.53804   -79.25846
   60    57 S   OS   _O36    54     1.63363    98.82582   168.45974
   61    60 S   CT   _C13    55     1.41954   118.91091   -72.31811
   62    61 S   HC   _H16    56     1.09536   108.47101   -92.66074
   63    61 S   HC   _H17    57     1.09613   110.87230    24.26853
   64    61 S   CT   _C12    58     1.52233   109.99269   146.75617
   65    64 S   HC   _H5_    59     1.09794   109.12840    56.30946
   66    64 S   CT   _C11    60     1.52176   113.46705   -66.82149
   67    66 S   HC   _H4_    61     1.09439   111.36110   -38.03402
   68    66 S   CT   _C10    62     1.51018   101.84938  -155.76187
   69    68 S   HC   _H14    63     1.09404   113.01122   157.88781
   70    68 S   HC   _H15    64     1.09761   109.74228   -83.09636
   71    66 S   OH   _O46    82     1.41218   111.49664    84.56809
   72    71 S   HO   _H22    83     0.97276   108.16970   173.53595
   73    68 S   CO   _C9_    65     1.52450   103.00494    34.08064
   74    73 S   HC   _H3_    66     1.09638   109.42889  -138.35701
   75    73 S   N*   _N4_    67     1.47078   113.19166   101.49401
   76    64 S   OS   _O35    81     1.43599   109.79159   174.88266
   77    75 S   CM   _C6_    68     1.38262   120.93727   -93.63227
   78    77 S   HC   _H12    69     1.08395   116.60454     1.23543
   79    77 S   CM   _C5_    70     1.33904   123.69465  -178.11508
   80    79 S   C    _C8_    71     1.48447   118.40090    -0.85729
   81    80 S   O    _O34    72     1.22786   121.80693   177.49087
   82    79 S   CT   _C4_    77     1.49464   123.75592   179.18243
   83    82 S   HC   _H9_    78     1.09473   110.62677   124.13226
   84    82 S   HC   _H10    79     1.09517   111.89240     4.13346
   85    82 S   HC   _H11    80     1.09484   110.35411  -115.90791
   86    80 S   NNB  _N5_    73     1.38133   114.92062    -2.04823
   87    86 S   H    _H13    74     1.01421   116.62045  -178.41526
   88    75 S   C    _C7_    75     1.40327   117.95802    84.92445
   89    88 S   O    _O33    76     1.23274   124.24820    -0.70360
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  12   7   2   1   1  11  11   5   3   1   9   6   8   4   2   1
   1   6   2   5   7   3   2   5   7   3   2   7  10   5   4  12
   6  10   7  10   6   5   3   1   9   4  10   2  11   4   9   9
   4   4   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    45    50    51    52    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    45    50    51    52    53    41    42  
   38    39    45    50    51    52    41  
   36    37  
   37  
    0  
   39    40    43    44    45    50    51    52    46    41    42  
   40    43    44    45    50    46    47    48    49    41    42  
   43    44    45    46    41  
   42    43    50  
    0  
   44    45    50    51    52    46    47    48    49  
   45    50    46    47    48    49  
   50    51    52    53    46    47    48    49  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    54    55    56  
   52    53  
   53    54    55    56    57  
   54    55    56    57    58    59    60  
   55    56    57  
   56    57  
   57    58    59    60    61  
   58    59    60    61    62    63    64  
   59    60    61  
   60    61  
   61    62    63    64    65    66    76  
   62    63    64    65    66    67    68    73    76    71  
   63    64    65    66    76  
   64    65    66    76  
   65    66    67    68    69    70    73    74    75    76    71    72  
   66    67    68    73    76    71  
   67    68    69    70    73    74    75    76    71    72  
   68    69    70    73    76    71    72  
   69    70    73    74    75    77    88    76    71    72  
   70    73    74    75    76    71  
   73    74    75    76    71  
   72    73    76  
    0  
   74    75    77    78    79    86    88    89    76  
   75    77    88    76  
   77    78    79    80    86    87    88    89    82    76  
   77    88  
   78    79    80    81    86    88    89    82    83    84    85  
   79    80    88    82  
   80    81    86    87    88    82    83    84    85  
   81    86    87    88    89    82    83    84    85  
   86    87    88    82  
   83    84    85    86  
   84    85  
   85  
    0  
   87    88    89  
   88    89  
   89  
    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   3.5500   0.0760  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.392500   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.8500   0.1400  -0.632500   1.7660   1.5600   0.020110767  -0.896042159
   53   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   54   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   55   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   56   2.8500   0.1400  -0.022200   1.5900   1.4000   0.020110767  -0.896042159
   57   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   58   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   59   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   60   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.080000   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.655000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.0000   0.0000   0.390000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.510000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0500   0.100000   1.3810   1.2100   0.008598240   0.268726247
   75   3.2500   0.1700  -0.600000   1.8100   1.6000   0.054801302  -1.445846770
   76   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0800   0.080000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0800  -0.070000   2.0020   1.7750   0.023028004  -0.852763146
   80   3.7500   0.1050   0.450000   1.9250   1.7000   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.420000   1.5250   1.4250   0.001000000  -1.480495490
   82   3.5000   0.0800  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0500   0.080000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0500   0.080000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0500   0.080000   1.4250   1.2500   0.008598240   0.268726247
   86   3.2500   0.1700  -0.510000   1.8100   1.6000   0.054801302  -1.445846770
   87   0.5000   0.0300   0.360000   1.5900   1.4000   0.030040813  -0.651083722
   88   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.400000   1.5250   1.4250   0.001000000  -1.480495490
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    50   268.000  1.529
   38    39   465.000  1.376
   38    41   510.000  1.338
   39    40   745.000  1.250
   39    43   270.000  1.512
   43    44   340.000  1.090
   43    45   320.000  1.410
   43    46   268.000  1.529
   45    50   320.000  1.410
   50    51   340.000  1.090
   50    52   320.000  1.410
   52    53   230.000  1.697
   53    54   525.000  1.480
   53    55   525.000  1.480
   53    56   230.000  1.697
   56    57   230.000  1.697
   57    58   525.000  1.480
   57    59   525.000  1.480
   57    60   230.000  1.697
   60    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    76   320.000  1.410
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    71   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   250.000  1.527
   73    74   340.000  1.090
   73    75   275.000  1.479
   73    76   320.000  1.380
   75    77   448.000  1.365
   75    88   418.000  1.388
   77    78   340.000  1.080
   77    79   549.000  1.340
   79    80   410.000  1.444
   79    82   317.000  1.510
   80    81   570.000  1.229
   80    86   418.000  1.388
   86    87   434.000  1.010
   86    88   418.000  1.388
   88    89   570.000  1.229
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   71    72   553.000  0.945
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   41    42   553.000  0.945
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  112.20000
   29    33    50    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    90.00000  109.34000
   33    50    45    50.00000  109.50000
   33    50    51    37.50000  110.70000
   33    50    52    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    43    65.00000  122.18000
   38    41    42    70.00000  107.45700
   39    43    44    45.00000  110.52000
   39    43    45    85.00000  110.90400
   39    43    46    70.00000  112.02700
   43    39    40    85.00000  112.85300
   43    45    50    60.00000  109.50000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    49    37.50000  110.70000
   45    43    44    35.00000  109.50000
   45    50    51    35.00000  109.50000
   45    50    52   110.00000  112.65000
   50    33    34    37.50000  110.70000
   50    33    38    70.00000  112.02700
   50    52    53   100.00000  120.50000
   52    50    51    35.00000  109.50000
   52    53    54   100.00000  108.23000
   52    53    55   100.00000  108.23000
   52    53    56    45.00000  102.60000
   53    56    57    50.00000  132.62000
   55    53    54   140.00000  119.90000
   56    53    54   100.00000  108.23000
   56    53    55   100.00000  108.23000
   56    57    58   100.00000  108.23000
   56    57    59   100.00000  108.23000
   56    57    60    45.00000  102.60000
   57    60    61   100.00000  120.50000
   59    57    58   140.00000  119.90000
   60    57    58   100.00000  108.23000
   60    57    59   100.00000  108.23000
   60    61    62    35.00000  109.50000
   60    61    63    35.00000  109.50000
   60    61    64    50.00000  109.50000
   61    64    65    37.50000  110.70000
   61    64    66    58.35000  112.70000
   61    64    76    50.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    66    67    37.50000  110.70000
   64    66    68    58.35000  112.70000
   64    66    71    50.00000  109.50000
   64    76    73    60.00000  109.50000
   66    64    65    37.50000  110.70000
   66    68    69    37.50000  110.70000
   66    68    70    37.50000  110.70000
   66    68    73    75.00000  109.43000
   66    71    72    55.00000  108.50000
   68    66    67    37.50000  110.70000
   68    73    74    45.00000  112.01100
   68    73    75    75.00000  107.44000
   68    73    76    90.00000  108.56700
   70    68    69    33.00000  107.80000
   73    68    69    45.00000  108.72000
   73    68    70    45.00000  108.72000
   73    75    77    70.00000  121.20000
   73    75    88    70.00000  117.60000
   75    73    74    55.00000  103.44000
   75    77    78    35.00000  119.10000
   75    77    79    70.00000  121.20000
   75    88    86    70.00000  118.60000
   75    88    89    80.00000  120.60000
   77    79    80    70.00000  118.70000
   77    79    82    70.00000  124.00000
   79    77    78    35.00000  120.00000
   79    80    81    80.00000  125.30000
   79    80    86    70.00000  114.10000
   79    82    83    35.00000  109.50000
   79    82    84    35.00000  109.50000
   79    82    85    35.00000  109.50000
   80    86    87    35.00000  116.80000
   80    86    88    70.00000  126.40000
   86    80    81    80.00000  120.60000
   86    88    89    80.00000  120.60000
   88    75    77    70.00000  121.60000
   88    86    87    35.00000  116.80000
   82    79    80    70.00000  119.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   76    64    65    35.00000  109.50000
   76    64    66    50.00000  109.50000
   76    73    74    35.00000  109.50000
   76    73    75   105.00000  106.22000
   71    66    67    35.00000  109.50000
   71    66    68    50.00000  109.50000
   46    43    44    37.50000  110.70000
   46    43    45    50.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   41    38    39    80.00000  121.38400
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    50    45   0.56750  1.0 1.0
   29    33    50    45  -0.07550 -1.0 2.0
   29    33    50    45   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    52   0.56750  1.0 1.0
   29    33    50    52  -0.07550 -1.0 2.0
   29    33    50    52   0.20000  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    43   7.00000 -1.0 2.0
   33    38    41    42   2.00000 -1.0 2.0
   33    50    52    53  -2.65550  1.0 1.0
   33    50    52    53  -0.22350 -1.0 2.0
   33    50    52    53   0.24150  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    50    45   0.23400  1.0 3.0
   34    33    50    51   0.15000  1.0 3.0
   34    33    50    52   0.23400  1.0 3.0
   38    33    50    45   0.61850  1.0 1.0
   38    33    50    45  -0.22750 -1.0 2.0
   38    33    50    45   0.15300  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    52   0.61850  1.0 1.0
   38    33    50    52  -0.22750 -1.0 2.0
   38    33    50    52   0.15300  1.0 3.0
   38    39    43    44   0.00000  1.0 1.0
   38    39   -43    45   0.39000  1.0 1.0
   38    39   -43    45  -0.05800 -1.0 2.0
   38    39   -43    45  -0.55150  1.0 3.0
   38    39    43    46   0.09850  1.0 1.0
   38    39    43    46   0.15250 -1.0 2.0
   38    39    43    46  -0.50650  1.0 3.0
   39    38    41    42  -0.66100  1.0 1.0
   39    38    41    42   1.20850 -1.0 2.0
   39    38    41    42  -0.36000  1.0 3.0
   39    43    45    50  -0.77900  1.0 1.0
   39    43    45    50  -0.36900 -1.0 2.0
   39    43    45    50   0.40400  1.0 3.0
   39    43    46    47   0.15000  1.0 3.0
   39    43    46    48   0.15000  1.0 3.0
   39    43    46    49   0.15000  1.0 3.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    43    45   0.09700  1.0 1.0
   40    39    43    45   0.15600 -1.0 2.0
   40    39    43    45  -0.50800  1.0 3.0
   40    39    43    46   0.09700  1.0 1.0
   40    39    43    46   0.15600 -1.0 2.0
   40    39    43    46  -0.50800  1.0 3.0
   43    45   -50    33   0.06250  1.0 1.0
   43    45   -50    33  -0.01100 -1.0 2.0
   43    45   -50    33   0.28050  1.0 3.0
   43    45    50    51   0.37050  1.0 3.0
   43    45    50    52  -0.81800  1.0 1.0
   44    43    45    50   0.37050  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    49   0.15000  1.0 3.0
   45    43    46    47   0.23400  1.0 3.0
   45    43    46    48   0.23400  1.0 3.0
   45    43    46    49   0.23400  1.0 3.0
   45    50    52    53   0.37500  1.0 3.0
   50    33   -38    39   0.09850  1.0 1.0
   50    33   -38    39   0.15250 -1.0 2.0
   50    33   -38    39  -0.50650  1.0 3.0
   50    33    38    41   0.09700  1.0 1.0
   50    33    38    41   0.15600 -1.0 2.0
   50    33    38    41  -0.50800  1.0 3.0
   50    52    53    54   0.00000  1.0 1.0
   50    52    53    55   0.00000  1.0 1.0
   50    52    53    56   0.05050  1.0 1.0
   50    52    53    56  -1.30700 -1.0 2.0
   50    52    53    56   0.91550  1.0 3.0
   51    50    52    53   0.03000  1.0 3.0
   52    53    56    57   0.15000  1.0 3.0
   53    56    57    58   0.50000  1.0 3.0
   53    56    57    59   0.50000  1.0 3.0
   53    56    57    60   0.15000  1.0 3.0
   54    53    56    57   0.50000  1.0 3.0
   55    53    56    57   0.50000  1.0 3.0
   56    57    60    61   0.05050  1.0 1.0
   56    57    60    61  -1.30700 -1.0 2.0
   56    57    60    61   0.91550  1.0 3.0
   57    60    61    62   0.03000  1.0 3.0
   57    60    61    63   0.03000  1.0 3.0
   57    60    61    64  -2.65550  1.0 1.0
   57    60    61    64  -0.22350 -1.0 2.0
   57    60    61    64   0.24150  1.0 3.0
   58    57    60    61   0.00000  1.0 1.0
   59    57    60    61   0.00000  1.0 1.0
   60    61    64    65   0.23400  1.0 3.0
   60    61    64    66   0.62750  1.0 1.0
   60    61    64    66  -0.30950 -1.0 2.0
   60    61    64    66   0.27300  1.0 3.0
   60    61    64    76   1.11900  1.0 1.0
   60    61    64    76  -1.16350 -1.0 2.0
   60    61    64    76  -0.34150  1.0 3.0
   61    64    66    67   0.15000  1.0 3.0
   61    64    66    68   0.56750  1.0 1.0
   61    64    66    68  -0.07550 -1.0 2.0
   61    64    66    68   0.20000  1.0 3.0
   61    64    66    71   0.86500  1.0 1.0
   61    64    66    71  -0.17500 -1.0 2.0
   61    64    66    71   0.20800  1.0 3.0
   61    64    76    73   0.06250  1.0 1.0
   61    64    76    73  -0.01100 -1.0 2.0
   61    64    76    73   0.28050  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    76   0.23400  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    76   0.23400  1.0 3.0
   64    66    68    69   0.15000  1.0 3.0
   64    66    68    70   0.15000  1.0 3.0
   64    66   -68    73   3.97050  1.0 1.0
   64    66    71    72  -0.11600  1.0 1.0
   64    66    71    72  -0.09450 -1.0 2.0
   64    66    71    72   0.21250  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68   0.15000  1.0 3.0
   65    64    66    71   0.23400  1.0 3.0
   65    64    76    73   0.37050  1.0 3.0
   66    64   -76    73   0.06250  1.0 1.0
   66    64   -76    73  -0.01100 -1.0 2.0
   66    64   -76    73   0.28050  1.0 3.0
   66    68    73    74   0.15000  1.0 3.0
   66    68    73    75  -0.27100  1.0 1.0
   66    68    73    75  -0.01700 -1.0 2.0
   66    68    73    75  -0.48600  1.0 3.0
   66    68   -73    76   0.62750  1.0 1.0
   66    68   -73    76  -0.30950 -1.0 2.0
   66    68   -73    76   0.27300  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    73   0.15000  1.0 3.0
   67    66    71    72   0.19450  1.0 3.0
   68    66    71    72  -0.11600  1.0 1.0
   68    66    71    72  -0.09450 -1.0 2.0
   68    66    71    72   0.21250  1.0 3.0
   68    73    75    77   2.08450  1.0 1.0
   68    73    75    77  -0.39300 -1.0 2.0
   68    73    75    77   0.23400  1.0 3.0
   68    73    75    88  -0.43950  1.0 1.0
   68    73    75    88  -0.08100 -1.0 2.0
   68    73    75    88   0.03350  1.0 3.0
   68    73   -76    64   0.06250  1.0 1.0
   68    73   -76    64  -0.01100 -1.0 2.0
   68    73   -76    64   0.28050  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    76   0.23400  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    76   0.23400  1.0 3.0
   73    75    77    78   1.88100 -1.0 2.0
   73    75    77    79  -0.88150  1.0 1.0
   73    75    77    79   2.95600 -1.0 2.0
   73    75    88    86   3.62500 -1.0 2.0
   73    75    88    89   3.04450 -1.0 2.0
   74    73    75    77   0.00000  1.0 1.0
   74    73    75    88   0.00000  1.0 1.0
   74    73    76    64   0.37050  1.0 3.0
   75    73    76    64  -2.37750  1.0 1.0
   75    73    76    64  -0.08150 -1.0 2.0
   75    73    76    64   0.59000  1.0 3.0
   75    77    79    80   7.00000 -1.0 2.0
   75    77    79    82   7.00000 -1.0 2.0
   77    75    88    86   3.62500 -1.0 2.0
   77    75    88    89   2.67200 -1.0 2.0
   77    79    80    81   1.00000 -1.0 2.0
   77    79   -80    86   1.50000 -1.0 2.0
   77    79    82    83   0.00000  1.0 1.0
   77    79    82    84   0.00000  1.0 1.0
   77    79    82    85   0.00000  1.0 1.0
   78    77    79    80   7.00000 -1.0 2.0
   78    77    79    82   7.00000 -1.0 2.0
   79    80    86    87   1.52500 -1.0 2.0
   79    80    86    88   7.00000 -1.0 2.0
   80    79    82    83   0.15000  1.0 3.0
   80    79    82    84   0.15000  1.0 3.0
   80    79    82    85   0.15000  1.0 3.0
   80    86   -88    75   3.00000 -1.0 2.0
   80    86    88    89   3.04450 -1.0 2.0
   81    80    86    87   2.45000 -1.0 2.0
   81    80    86    88   3.04450 -1.0 2.0
   87    86    88    75   2.56700 -1.0 2.0
   87    86    88    89   2.45000 -1.0 2.0
   88    75    77    78   1.44600  1.0 1.0
   88    75   -77    79  -0.18900  1.0 1.0
   88    75   -77    79   1.70900 -1.0 2.0
   82    79    80    81  -0.64400  1.0 1.0
   82    79    80    81   0.26850 -1.0 2.0
   82    79    80    86   1.50000 -1.0 2.0
   76    64    66    67   0.23400  1.0 3.0
   76    64   -66    68   0.62750  1.0 1.0
   76    64   -66    68  -0.30950 -1.0 2.0
   76    64   -66    68   0.27300  1.0 3.0
   76    64    66    71   3.69350  1.0 1.0
   76    64    66    71  -1.82950 -1.0 2.0
   76    73    75    77  -0.28000  1.0 1.0
   76    73    75    77  -1.16550 -1.0 2.0
   76    73    75    88  -2.75650  1.0 1.0
   76    73    75    88  -1.18150 -1.0 2.0
   76    73    75    88   0.81900  1.0 3.0
   71    66    68    69   0.23400  1.0 3.0
   71    66    68    70   0.23400  1.0 3.0
   71    66    68    73   0.86500  1.0 1.0
   71    66    68    73  -0.17500 -1.0 2.0
   71    66    68    73   0.20800  1.0 3.0
   46    43    45    50   0.06250  1.0 1.0
   46    43    45    50  -0.01100 -1.0 2.0
   46    43    45    50   0.28050  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    43   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   43    40    39    38   1.10000 -1.0 2.0
   77    88    75    73   1.00000 -1.0 2.0
   75    78    77    79   1.10000 -1.0 2.0
   80    82    79    77   1.10000 -1.0 2.0
   79    86    80    81  10.50000 -1.0 2.0
   87    80    86    88   1.00000 -1.0 2.0
   75    86    88    89  10.50000 -1.0 2.0
END
