* LIGAND DATABASE FILE (OPLS2005)
*
001      88    91    166    267     492
    1     0 S   NP   _N1_     1    29.06755    93.35953   -23.54928
    2     1 S   H    _HN1     2     1.02778   105.67931   -91.49805
    3     1 S   H    _H1_     3     1.02962    89.78230    17.48581
    4     1 S   H    _H2_     4     1.02838    19.68699   169.14128
    5     1 S   CT   _CA1     5     1.50116   127.35972   133.31404
    6     5 S   HC   _HA1     6     1.09574   105.23904    71.27339
    7     5 S   CO3  _C1_     7     1.53779   112.38917   -48.95690
    8     7 S   O2Z  _O11     8     1.26357   115.00411   -43.98090
    9     7 S   O2Z  _O12     9     1.26236   114.91508   135.22652
   10     5 S   CT   _CB1    10     1.53092   107.44206  -170.81166
   11    10 S   HC   HB11    11     1.09826   109.32395   -50.87011
   12    10 S   HC   HB12    12     1.09823   110.41192    65.65999
   13    10 S   CT   _CG1    13     1.53035   112.70029  -171.98291
   14    13 S   HC   HG11    14     1.09593   110.45035   -63.67178
   15    13 S   HC   HG12    15     1.09648   110.00251    55.58639
   16    13 S   C    _CD1    16     1.51797   112.25959   175.91793
   17    16 S   O    _OE1    17     1.22731   123.20454    -2.47227
   18    16 S   N    _N2_    18     1.38638   111.72337   177.72858
   19    18 S   H    _HN2    19     1.01589   119.00011     1.95565
   20    18 S   CT1  _CA2    20     1.46099   123.43477   179.90309
   21    20 S   HC   _HA2    21     1.09555   109.37720    -2.44984
   22    20 S   C    _C2_    22     1.53363   108.42540  -117.29618
   23    22 S   O    _O2_    23     1.23009   122.33733  -141.66071
   24    20 S   CT   _CB2    32     1.53309   111.69457   120.04263
   25    24 S   HC   HB21    33     1.09661   109.65974    60.50926
   26    24 S   HC   HB22    34     1.09552   110.89914   177.62578
   27    22 S   N    _N3_    24     1.38541   113.30460    45.83112
   28    27 S   H    _HN3    25     1.01480   119.05869    -0.64831
   29    24 S   S    _SG2    35     1.83067   114.84061   -59.34200
   30    27 S   CT   _CA3    26     1.45415   123.11196   173.89253
   31    30 S   HC   HA31    27     1.09544   108.82960    31.60929
   32    30 S   HC   HA32    28     1.09478   107.18664   148.67097
   33    29 S   CT   _C10    36     1.83420   100.43634   -61.11722
   34    33 S   HC   _H7_    37     1.09480   105.00575    69.15610
   35    30 S   CO3  _C3_    29     1.53039   113.62823   -91.41226
   36    35 S   O2Z  _O31    30     1.26374   115.78415   -33.30879
   37    35 S   O2Z  _O32    31     1.26413   114.70661   147.59375
   38    33 S   CT   _C6_    38     1.54032   112.39253  -174.04543
   39    38 S   HC   _H3_    39     1.10068   106.85981   -61.02782
   40    38 S   CT   _C7_    40     1.55410   108.98123  -177.37192
   41    40 S   HC   _H4_    41     1.09861   103.45787    64.94009
   42    38 S   CO4  _C5_    82     1.52769   112.80568    55.36924
   43    42 S   O    _O34    83     1.22321   125.43678    31.70314
   44    40 S   CT   _C8_    42     1.55620   113.32096   -48.43000
   45    44 S   HC   _H5_    43     1.09935   106.74932   160.52908
   46    40 S   CT   _C13    54     1.54896   112.78211   178.95920
   47    46 S   HC   _H16    55     1.09701   108.92198    68.21304
   48    46 S   HC   _H17    56     1.09813   107.78142   -46.67278
   49    42 S   OS   _O33    84     1.36696   109.45240  -147.86163
   50    44 S   CO   _C9_    44     1.54461   110.97777    44.77202
   51    50 S   HC   _H6_    45     1.09653   109.80011  -167.85146
   52    44 S   CM   _C11    49     1.51229   114.67715   -80.44967
   53    52 S   HC   _H13    50     1.08492   118.38241    67.68378
   54    46 S   CT   _C14    57     1.54254   115.56629  -168.97595
   55    54 S   HC   _H8_    58     1.09308   111.42432   -55.44303
   56    49 S   CT   _C4_    85     1.43052   115.27019   179.70658
   57    56 S   HC   _H9_    86     1.09324   108.09070   179.94065
   58    56 S   HC   _H10    87     1.09423   110.25727    61.29051
   59    56 S   HC   _H11    88     1.09418   110.29739   -61.35519
   60    33 S   OS   _O35    46     1.42716   111.94584   -48.78082
   61    50 S   OH   _O36    47     1.42710   108.93543    75.58349
   62    61 S   HO   _H12    48     0.97273   106.85913   156.11308
   63    52 S   CM   _C12    51     1.33886   124.11363  -114.71624
   64    63 S   HC   _H14    52     1.08508   120.37135  -178.74602
   65    63 S   HC   _H15    53     1.08427   121.85452     0.72739
   66    54 S   C5A  _C15    59     1.49106   113.82462    70.45213
   67    66 S   C5B  _C16    60     1.38072   125.79625   105.23418
   68    66 S   NA   _N4_    71     1.36674   125.95592   -77.02032
   69    68 S   H    _H22    72     1.01117   125.72033     0.32385
   70    67 S   C56B _C17    61     1.42283   107.54638  -179.66898
   71    67 S   CT   _C23    73     1.49114   122.29429     2.09742
   72    71 S   HC   _H23    74     1.09712   108.45071   103.55268
   73    71 S   HC   _H24    75     1.09559   110.57164  -139.09003
   74    70 S   CA   _C18    62     1.40941   134.41319   179.54976
   75    74 S   HA   _H18    63     1.08622   120.78026    -0.35827
   76    71 S   CT   _C24    76     1.53474   111.80342   -16.93921
   77    76 S   HC   _H25    77     1.09419   111.22554   162.61697
   78    76 S   HC   _H26    78     1.09442   112.04002   -75.29765
   79    74 S   CA   _C19    64     1.39957   119.29077   179.78694
   80    79 S   HA   _H19    65     1.08693   119.52787   179.85735
   81    54 S   NP   _N5_    79     1.53042   107.65387  -169.38783
   82    81 S   H    _H27    80     1.02949   108.17648   159.16738
   83    81 S   H    _H28    81     1.02894   109.84254    44.61526
   84    79 S   CA   _C20    66     1.39317   120.76512    -0.22555
   85    84 S   HA   _H20    67     1.08719   119.56249  -179.89165
   86    84 S   CA   _C21    68     1.39764   121.03199    -0.11014
   87    86 S   HA   _H21    69     1.08506   120.91664  -179.67195
   88    70 S   C56A _C22    70     1.39827   106.91175    -1.10323
  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  15   8  13   5   4
   4   7   4   6   3  14   7   3   2   1   1   2   1   1   2   1
   1  14  15   9   3  12  10   5   4   7   4   5   4   3   6   3
   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    60    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    60    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    50    51    60    61    46    42    43    49  
   38    39    40    50    60    42  
   36    37  
   37  
    0  
   39    40    41    44    45    50    60    52    46    47    48    54    42    43    49    56  
   40    41    44    60    46    42    43    49  
   41    44    45    50    51    60    61    52    53    63    46    47    48    54    55    66    81    42    43    49  
   44    45    50    52    46    47    48    54    42  
   43    49    56    57    58    59    44    46    60  
   49    56  
   45    50    51    60    61    62    52    53    63    64    65    46    47    48    54  
   50    51    60    61    52    53    63    46  
   47    48    54    55    66    67    68    76    81    82    83    50    52  
   48    54    55    66    81  
   54    55    66    81  
   56    57    58    59  
   51    60    61    62    52    53    63  
   60    61    62    52  
   53    63    64    65    60    61  
   63    64    65  
   55    66    67    70    88    68    69    71    76    77    78    81    82    83  
   66    67    68    76    81    82    83  
   57    58    59  
   58    59  
   59  
    0  
   61    62  
   62  
    0  
   64    65  
   65  
    0  
   67    70    74    86    88    68    69    71    72    73    76    81    82    83  
   70    74    75    79    86    88    68    69    71    72    73    76    77    78    81  
   69    71    81    70    74    84    86    87    88  
   70    86    88  
   74    75    79    80    84    86    87    88    71    72    73    76  
   72    73    76    77    78    81    82    83    74    88  
   73    76    77    78    81  
   76    77    78    81  
   75    79    80    84    85    86    88  
   79    80    84    88  
   77    78    81    82    83  
   78    81    82    83  
   81    82    83  
   80    84    85    86    87    88  
   84    85    86  
   82    83  
   83  
    0  
   85    86    87    88  
   86    87    88  
   87    88  
   88  
    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   1.6450   1.4500   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.345000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   61   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   68   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   69   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   76   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   81   3.2500   0.1700  -0.200000   2.2900   2.0360   0.003973653   1.685851020
   82   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   83   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   86   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   88   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    60   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    46   268.000  1.529
   44    45   340.000  1.090
   44    50   250.000  1.527
   44    52   317.000  1.510
   50    51   340.000  1.090
   50    60   320.000  1.380
   50    61   380.000  1.407
   61    62   553.000  0.945
   52    53   340.000  1.080
   52    63   549.000  1.340
   63    64   340.000  1.080
   63    65   340.000  1.080
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    54   268.000  1.529
   54    55   340.000  1.090
   54    66   295.000  1.489
   54    81   367.000  1.471
   66    67   520.000  1.370
   66    68   427.000  1.381
   67    70   380.000  1.440
   67    71   295.000  1.494
   70    74   469.000  1.404
   70    88   447.000  1.419
   74    75   367.000  1.080
   74    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    87   367.000  1.080
   86    88   469.000  1.400
   88    68   428.000  1.380
   68    69   434.000  1.010
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    81   367.000  1.471
   81    82   434.000  1.010
   81    83   434.000  1.010
   42    43   570.000  1.229
   42    49   214.000  1.327
   49    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   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    60    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    60    50    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    46    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    50    75.00000  109.43000
   40    44    52    70.00000  112.02700
   40    46    47    37.50000  110.70000
   40    46    48    37.50000  110.70000
   40    46    54    58.35000  112.70000
   44    40    41    37.50000  110.70000
   44    50    51    45.00000  112.01100
   44    50    60    90.00000  108.56700
   44    50    61    90.00000  110.19100
   44    52    53    35.00000  117.00000
   44    52    63    70.00000  124.00000
   50    44    45    45.00000  108.72000
   50    61    62    70.00000  107.92000
   60    33    34    35.00000  109.50000
   60    33    38    50.00000  109.50000
   60    50    51    35.00000  109.50000
   61    50    51    60.00000  108.02500
   61    50    60   110.00000  112.08000
   52    44    45    35.00000  109.50000
   52    44    50    70.00000  112.02700
   52    63    64    35.00000  120.00000
   52    63    65    35.00000  120.00000
   63    52    53    35.00000  120.00000
   65    63    64    35.00000  117.00000
   46    40    41    37.50000  110.70000
   46    40    44    58.35000  112.70000
   46    54    55    37.50000  110.70000
   46    54    66    70.00000  113.44400
   46    54    81    80.00000  111.20000
   48    46    47    33.00000  107.80000
   54    46    47    37.50000  110.70000
   54    46    48    37.50000  110.70000
   54    66    67    55.00000  130.44200
   54    66    68    65.00000  122.56900
   54    81    76    75.00000  113.01200
   54    81    82    35.00000  109.50000
   54    81    83    35.00000  109.50000
   66    54    55    45.00000  110.47400
   66    67    70    80.00000  105.82900
   66    67    71    55.00000  127.77900
   66    68    88    90.00000  107.14200
   66    68    69    35.00000  120.00000
   67    70    74    50.00000  134.85500
   67    70    88    80.00000  107.43600
   67    71    72    45.00000  111.11700
   67    71    73    45.00000  111.11700
   67    71    76    70.00000  112.62400
   70    74    75    35.00000  120.00000
   70    74    79    63.00000  120.00000
   70    88    86    85.00000  122.70000
   70    88    68    70.00000  104.40000
   74    79    80    35.00000  120.00000
   74    79    84    63.00000  120.00000
   79    74    75    35.00000  120.00000
   79    84    85    35.00000  120.00000
   79    84    86    63.00000  120.00000
   84    79    80    35.00000  120.00000
   84    86    87    35.00000  120.00000
   84    86    88    85.00000  120.00000
   86    84    85    35.00000  120.00000
   86    88    68    70.00000  132.80000
   88    70    74    85.00000  116.20000
   88    86    87    35.00000  120.00000
   88    68    69    35.00000  123.10000
   68    66    67    70.00000  106.30000
   71    67    70    55.00000  128.73000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    81    80.00000  111.20000
   73    71    72    33.00000  107.80000
   76    71    72    37.50000  110.70000
   76    71    73    37.50000  110.70000
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   78    76    77    33.00000  107.80000
   81    54    55    35.00000  109.50000
   81    54    66    75.00000  111.64000
   81    76    77    35.00000  109.50000
   81    76    78    35.00000  109.50000
   83    81    82    35.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    63.00000  111.10000
   42    49    56    83.00000  116.90000
   49    42    43    83.00000  123.40000
   49    56    57    35.00000  109.50000
   49    56    58    35.00000  109.50000
   49    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    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    60   0.13850  1.0 1.0
   24    29    33    60  -1.34450 -1.0 2.0
   24    29    33    60   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    60    50   0.14700  1.0 1.0
   29    33    60    50  -1.16150 -1.0 2.0
   29    33    60    50   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    46   0.56750  1.0 1.0
   33    38    40    46  -0.07550 -1.0 2.0
   33    38    40    46   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    60    50   0.37050  1.0 3.0
   38    33    60    50   0.06250  1.0 1.0
   38    33    60    50  -0.01100 -1.0 2.0
   38    33    60    50   0.28050  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    50   3.97050  1.0 1.0
   38    40    44    52   0.34400  1.0 1.0
   38    40    44    52   0.09450 -1.0 2.0
   38    40    44    52   0.11100  1.0 3.0
   38    40    46    47   0.15000  1.0 3.0
   38    40    46    48   0.15000  1.0 3.0
   38    40    46    54   0.56750  1.0 1.0
   38    40    46    54  -0.07550 -1.0 2.0
   38    40    46    54   0.20000  1.0 3.0
   38    42    49    56   1.63150  1.0 1.0
   38    42    49    56   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    46   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    60   0.62750  1.0 1.0
   40    44    50    60  -0.30950 -1.0 2.0
   40    44    50    60   0.27300  1.0 3.0
   40    44    50    61   0.86500  1.0 1.0
   40    44    50    61  -0.17500 -1.0 2.0
   40    44    50    61   0.20800  1.0 3.0
   40    44    52    53   0.00000  1.0 1.0
   40    44    52    63   0.09850  1.0 1.0
   40    44    52    63   0.15250 -1.0 2.0
   40    44    52    63  -0.50650  1.0 3.0
   40    46    54    55   0.15000  1.0 3.0
   40    46    54    66  -0.03700  1.0 1.0
   40    46    54    66   0.37200 -1.0 2.0
   40    46    54    66  -0.47300  1.0 3.0
   40    46    54    81   1.36600  1.0 1.0
   40    46    54    81  -0.11450 -1.0 2.0
   40    46    54    81   0.24250  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    50   0.15000  1.0 3.0
   41    40    44    52   0.15000  1.0 3.0
   41    40    46    47   0.15000  1.0 3.0
   41    40    46    48   0.15000  1.0 3.0
   41    40    46    54   0.15000  1.0 3.0
   44    40    46    47   0.15000  1.0 3.0
   44    40    46    48   0.15000  1.0 3.0
   44    40    46    54   0.56750  1.0 1.0
   44    40    46    54  -0.07550 -1.0 2.0
   44    40    46    54   0.20000  1.0 3.0
   44    50   -60    33   0.06250  1.0 1.0
   44    50   -60    33  -0.01100 -1.0 2.0
   44    50   -60    33   0.28050  1.0 3.0
   44    50    61    62  -0.11600  1.0 1.0
   44    50    61    62  -0.09450 -1.0 2.0
   44    50    61    62   0.21250  1.0 3.0
   44    52    63    64   7.00000 -1.0 2.0
   44    52    63    65   7.00000 -1.0 2.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    60   0.23400  1.0 3.0
   45    44    50    61   0.23400  1.0 3.0
   45    44    52    53   0.33100  1.0 3.0
   45    44    52    63   0.00000  1.0 1.0
   50    44    52    53   0.00000  1.0 1.0
   50    44    52    63   0.09850  1.0 1.0
   50    44    52    63   0.15250 -1.0 2.0
   50    44    52    63  -0.50650  1.0 3.0
   51    50    60    33   0.37050  1.0 3.0
   51    50    61    62   0.19450  1.0 3.0
   60    33    38    39   0.23400  1.0 3.0
   60    33   -38    40   0.62750  1.0 1.0
   60    33   -38    40  -0.30950 -1.0 2.0
   60    33   -38    40   0.27300  1.0 3.0
   60    33    38    42  -0.09450  1.0 1.0
   60    33    38    42  -1.12950 -1.0 2.0
   60    33    38    42   0.54000  1.0 3.0
   60    50    61    62  -0.50000  1.0 1.0
   60    50    61    62  -0.73950 -1.0 2.0
   60    50    61    62   0.17150  1.0 3.0
   61    50    60    33  -0.81800  1.0 1.0
   52    44    50    51   0.15000  1.0 3.0
   52    44    50    60   0.61850  1.0 1.0
   52    44    50    60  -0.22750 -1.0 2.0
   52    44    50    60   0.15300  1.0 3.0
   52    44    50    61   1.05650  1.0 1.0
   52    44    50    61   0.15600 -1.0 2.0
   52    44    50    61   0.53150  1.0 3.0
   53    52    63    64   7.00000 -1.0 2.0
   53    52    63    65   7.00000 -1.0 2.0
   46    40    44    45   0.15000  1.0 3.0
   46    40    44    50   3.97050  1.0 1.0
   46    40    44    52   0.34400  1.0 1.0
   46    40    44    52   0.09450 -1.0 2.0
   46    40    44    52   0.11100  1.0 3.0
   46    54    66    67   0.04150 -1.0 2.0
   46    54    66    68   0.39850  1.0 1.0
   46    54    66    68   0.06450 -1.0 2.0
   46    54    66    68   0.32400  1.0 3.0
   46    54    81    76   0.47100  1.0 1.0
   46    54    81    82   0.17350  1.0 3.0
   46    54    81    83   0.17350  1.0 3.0
   47    46    54    55   0.15000  1.0 3.0
   47    46    54    66   0.43200  1.0 3.0
   47    46    54    81   0.19200  1.0 3.0
   48    46    54    55   0.15000  1.0 3.0
   48    46    54    66   0.43200  1.0 3.0
   48    46    54    81   0.19200  1.0 3.0
   54    66    67    70   3.62500 -1.0 2.0
   54    66    67    71   3.62500 -1.0 2.0
   54    66    68    88   3.62500 -1.0 2.0
   54    66    68    69   2.00000 -1.0 2.0
   55    54    66    67   0.00000  1.0 1.0
   55    54    66    68   0.00000  1.0 1.0
   55    54    81    76   0.15000  1.0 3.0
   55    54    81    82   0.13050  1.0 3.0
   55    54    81    83   0.13050  1.0 3.0
   66    54    81    76   0.03550  1.0 1.0
   66    54    81    76   0.09800 -1.0 2.0
   66    54    81    82   0.17350  1.0 3.0
   66    54    81    83   0.17350  1.0 3.0
   66    67    70    74   3.62500 -1.0 2.0
   66    67   -70    88   3.50000 -1.0 2.0
   66    67    71    72   0.00000  1.0 1.0
   66    67    71    73   0.00000  1.0 1.0
   66    67   -71    76   0.04150 -1.0 2.0
   67    66   -68    88   3.62500 -1.0 2.0
   67    66    68    69   1.40000 -1.0 2.0
   67    70    74    75   3.62500 -1.0 2.0
   67    70    74    79   3.62500 -1.0 2.0
   67    70    88    86   3.00000 -1.0 2.0
   67    70   -88    68   3.00000 -1.0 2.0
   67    71    76    77   0.43200  1.0 3.0
   67    71    76    78   0.43200  1.0 3.0
   67    71    76    81   1.24050  1.0 1.0
   67    71    76    81   0.48100 -1.0 2.0
   67    71    76    81   1.08150  1.0 3.0
   70    67    71    72   0.00000  1.0 1.0
   70    67    71    73   0.00000  1.0 1.0
   70    67    71    76   0.04150 -1.0 2.0
   70    74    79    80   3.62500 -1.0 2.0
   70    74    79    84   3.62500 -1.0 2.0
   70    88   -68    66   3.62500 -1.0 2.0
   70    88    68    69   1.52500 -1.0 2.0
   74    70    88    86   3.00000 -1.0 2.0
   74    70    88    68   3.00000 -1.0 2.0
   74    79    84    85   3.62500 -1.0 2.0
   74    79   -84    86   3.62500 -1.0 2.0
   75    74    79    80   3.62500 -1.0 2.0
   75    74    79    84   3.62500 -1.0 2.0
   79    84    86    87   3.62500 -1.0 2.0
   79    84    86    88   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   -88    70   3.62500 -1.0 2.0
   84    86    88    68   3.62500 -1.0 2.0
   85    84    86    87   3.62500 -1.0 2.0
   85    84    86    88   3.62500 -1.0 2.0
   86    88    68    66   3.62500 -1.0 2.0
   86    88    68    69   1.52500 -1.0 2.0
   87    86    88    70   3.62500 -1.0 2.0
   87    86    88    68   3.62500 -1.0 2.0
   88    70    74    75   3.50000 -1.0 2.0
   88    70   -74    79   3.50000 -1.0 2.0
   68    66   -67    70   3.62500 -1.0 2.0
   68    66    67    71   3.62500 -1.0 2.0
   71    67    70    74   3.62500 -1.0 2.0
   71    67    70    88   3.62500 -1.0 2.0
   71    76   -81    54   0.47100  1.0 1.0
   71    76    81    82   0.17350  1.0 3.0
   71    76    81    83   0.17350  1.0 3.0
   72    71    76    77   0.15000  1.0 3.0
   72    71    76    78   0.15000  1.0 3.0
   72    71    76    81   0.19200  1.0 3.0
   73    71    76    77   0.15000  1.0 3.0
   73    71    76    78   0.15000  1.0 3.0
   73    71    76    81   0.19200  1.0 3.0
   77    76    81    54   0.15000  1.0 3.0
   77    76    81    82   0.13050  1.0 3.0
   77    76    81    83   0.13050  1.0 3.0
   78    76    81    54   0.15000  1.0 3.0
   78    76    81    82   0.13050  1.0 3.0
   78    76    81    83   0.13050  1.0 3.0
   81    54   -66    67  -0.46400 -1.0 2.0
   81    54    66    68   0.04300 -1.0 2.0
   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    46  -0.95700  1.0 1.0
   42    38    40    46  -0.18200 -1.0 2.0
   42    38    40    46   0.29450  1.0 3.0
   42    49    56    57   0.08050  1.0 3.0
   42    49    56    58   0.08050  1.0 3.0
   42    49    56    59   0.08050  1.0 3.0
   43    42    49    56   3.00000 -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
   44    53    52    63  15.00000 -1.0 2.0
   64    65    63    52  15.00000 -1.0 2.0
   67    68    66    54   4.00000 -1.0 2.0
   70    71    67    66   4.00000 -1.0 2.0
   74    88    70    67   4.00000 -1.0 2.0
   79    75    74    70   1.10000 -1.0 2.0
   84    80    79    74   1.10000 -1.0 2.0
   86    85    84    79   1.10000 -1.0 2.0
   88    87    86    84   1.10000 -1.0 2.0
   86    68    88    70   4.00000 -1.0 2.0
   69    66    68    88   1.00000 -1.0 2.0
   38    49    42    43  10.50000 -1.0 2.0
END
