* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    154    231     436
    1     0 S   NP   _N1_     1    29.57999    88.94154   -17.81200
    2     1 S   H    _HN1     2     1.02925   139.56505    73.61241
    3     1 S   H    _H1_     3     1.02831    32.26496    69.41285
    4     1 S   H    _H2_     4     1.02807    93.02921   -49.58636
    5     1 S   CT   _CA1     5     1.50003    91.33637  -161.63088
    6     5 S   HC   _HA1     6     1.09376   105.34728    32.84596
    7     5 S   CO3  _C1_     7     1.53694   112.33413   -86.93846
    8     7 S   O2Z  _O11     8     1.26338   115.09473   -49.54231
    9     7 S   O2Z  _O12     9     1.26251   114.86119   129.30671
   10     5 S   CT   _CB1    10     1.52905   107.45569   150.76565
   11    10 S   HC   HB11    11     1.09717   109.70068   -46.72218
   12    10 S   HC   HB12    12     1.09798   110.52966    69.93434
   13    10 S   CT   _CG1    13     1.52848   112.48707  -167.00155
   14    13 S   HC   HG11    14     1.09540   111.31317   -57.37034
   15    13 S   HC   HG12    15     1.09602   110.70716    61.73516
   16    13 S   C    _CD1    16     1.51392   109.72040  -178.81535
   17    16 S   O    _OE1    17     1.22832   121.81815   -88.18090
   18    16 S   N    _N2_    18     1.38309   112.74211    90.03376
   19    18 S   H    _HN2    19     1.01543   119.22713     5.34760
   20    18 S   CT1  _CA2    20     1.45808   122.97512  -177.99036
   21    20 S   HC   _HA2    21     1.09624   108.42363    30.44972
   22    20 S   C    _C2_    22     1.52912   107.48811   -86.66339
   23    22 S   O    _O2_    23     1.22971   123.09564   -26.77412
   24    20 S   CT   _CB2    32     1.53275   111.96382   153.76622
   25    24 S   HC   HB21    33     1.09659   109.81613    58.18996
   26    24 S   HC   HB22    34     1.09555   111.43965   175.96483
   27    22 S   N    _N3_    24     1.38520   112.51827   156.01902
   28    27 S   H    _HN3    25     1.01664   120.35505    -2.37924
   29    24 S   S    _SG2    35     1.82480   112.82763   -60.92664
   30    27 S   CT   _CA3    26     1.45345   122.42442   178.62229
   31    30 S   HC   HA31    27     1.09570   107.81429   -55.53016
   32    30 S   HC   HA32    28     1.09565   107.59360    60.78201
   33    29 S   CT   _C22    36     1.83187    99.45598   -80.39996
   34    33 S   HC   _H3_    37     1.09634   109.02129    44.96346
   35    33 S   HC   _H4_    38     1.09793   106.54157   -70.62977
   36    30 S   CO3  _C3_    29     1.52872   114.38337  -177.46657
   37    36 S   O2Z  _O31    30     1.26319   116.09466    -0.27695
   38    36 S   O2Z  _O32    31     1.26443   114.39767   179.69036
   39    33 S   CT   _C23    39     1.55225   111.91319   168.54241
   40    39 S   OM   _O22    40     1.32671   106.91119   175.85065
   41    39 S   HC   _H50    41     1.10087   106.94153    48.77245
   42    39 S   CT   _C21    42     1.55812   112.40487   -66.16697
   43    42 S   HC   _H46    43     1.09990   110.10314  -170.79905
   44    42 S   HC   _H47    44     1.09752   108.67615    70.91738
   45    42 S   OS   _O25    45     1.43315   110.99721   -48.64565
   46    45 S   CA   _C15    46     1.36690   117.36929  -177.13789
   47    46 S   CA   _C10    47     1.39531   114.97843   173.29507
   48    47 S   HA   _H33    48     1.08788   119.94676     0.09891
   49    47 S   CA   _C6_    49     1.39915   120.90201  -179.82086
   50    49 S   HA   _H29    50     1.08572   117.30803  -179.98022
   51    49 S   CA   _C13    51     1.40261   121.07457    -0.31898
   52    51 S   CA   _C7_    52     1.40934   117.20127    -0.52638
   53    52 S   HA   _H30    53     1.08762   120.47334  -178.69539
   54    51 S   CT   _C24    56     1.54529   122.80047  -178.79829
   55    46 S   CA   _C11    54     1.39185   126.05357    -7.29907
   56    55 S   HA   _H34    55     1.08530   121.89031    -0.12972
   57    54 S   CA   _C12    57     1.54469   109.49382   110.99359
   58    54 S   CT   _C18    77     1.55541   107.95878  -124.73398
   59    58 S   HC   _H38    78     1.09741   110.91339    58.25752
   60    58 S   HC   _H39    79     1.09702   111.34305   177.73082
   61    58 S   HC   _H40    80     1.09532   113.17549   -61.63830
   62    54 S   CT   _C19    81     1.55546   113.64847    -9.59401
   63    62 S   HC   _H41    82     1.09698   111.31619   -59.69505
   64    62 S   HC   _H42    83     1.09539   113.18505    61.05707
   65    62 S   HC   _H43    84     1.09744   110.91428  -179.21167
   66    57 S   CA   _C4_    58     1.40902   119.74841   -64.77413
   67    66 S   HA   _H27    59     1.08817   120.46333    -0.27052
   68    66 S   CA   _C8_    60     1.39918   121.74682   179.26565
   69    68 S   HA   _H31    61     1.08561   117.78375   179.75055
   70    68 S   CA   _C14    62     1.39220   120.13868    -1.22253
   71    70 S   CA   _C9_    63     1.39574   118.91784     1.22541
   72    71 S   HA   _H32    64     1.08787   120.03227   179.69868
   73    70 S   OS   _O24    67     1.36830   125.96776  -178.06326
   74    57 S   CA   _C5_    65     1.40236   122.99784   113.93558
   75    74 S   HA   _H28    66     1.08591   121.55467     1.11943
   76    73 S   CT   _C20    68     1.42832   117.04694     1.31864
   77    76 S   HC   _H44    69     1.09624   109.86635   -64.16749
   78    76 S   HC   _H45    70     1.09679   110.30633    56.90046
   79    76 S   C3T  _C17    71     1.49280   108.11898   177.33597
   80    79 S   HC   _H37    72     1.08109   113.96698    60.66805
   81    79 S   C3T  _C16    73     1.50427   121.14074   -92.80059
   82    81 S   HC   _H35    74     1.08249   118.96503     4.82138
   83    81 S   HC   _H36    75     1.08221   118.15703   152.25090
   84    79 S   O3T  _O23    76     1.43220   114.41881  -159.46033
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
   9   5   4   2   1   1   7   5   4   6   3   2   7   9   8   4
   9   3  16   7   3  16   1   1  17   9   3   2   1   5   2   1
   1   8   4   7   3   9   5   3   8   1   1   8   5   4   5   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    45  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46  
   41    42    43    44    45  
   42    43    44    45  
   43    44    45    46    47    55  
   44    45    46  
   45    46  
   46    47    48    49    52    55    56  
   47    48    49    50    51    52    53    55    56  
   48    49    50    51    52    55    56    54  
   49    50    51    55  
   50    51    52    53    55    54    57    58    62  
   51    52    54  
   52    53    55    56    54    57    66    74    58    59    60    61    62    63    64    65  
   53    55    56    54    57    58    62  
   55    56    54  
   57    66    67    68    71    74    75    58    59    60    61    62    63    64    65    55  
   56  
    0  
   66    67    68    69    70    71    72    74    75    58    59    60    61    62    63    64    65  
   59    60    61    62    63    64    65    66    74  
   60    61    62  
   61    62  
   62  
   63    64    65    66    74  
   64    65  
   65  
    0  
   67    68    69    70    71    74    75    73  
   68    69    70    74  
   69    70    71    72    74    73    76  
   70    71    73  
   71    72    74    75    73    76    77    78    79  
   72    74    75    73    76  
   74    75    73  
   76    77    78    79    80    81    84    74  
   75  
    0  
   77    78    79    80    81    82    83    84  
   78    79    80    81    84  
   79    80    81    84  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660   0.230000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5000   0.0660   0.156500   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   570.000  1.307
   39    41   340.000  1.090
   39    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   320.000  1.410
   45    46   450.000  1.364
   46    47   469.000  1.400
   46    55   469.000  1.400
   47    48   367.000  1.080
   47    49   469.000  1.400
   49    50   367.000  1.080
   49    51   469.000  1.400
   51    52   469.000  1.400
   51    54   317.000  1.510
   52    53   367.000  1.080
   52    55   469.000  1.400
   55    56   367.000  1.080
   54    57   317.000  1.510
   54    58   268.000  1.529
   54    62   268.000  1.529
   57    66   469.000  1.400
   57    74   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   469.000  1.400
   70    73   450.000  1.364
   71    72   367.000  1.080
   71    74   469.000  1.400
   74    75   367.000  1.080
   73    76   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   275.000  1.510
   79    80   340.000  1.088
   79    81   260.000  1.509
   79    84   335.000  1.432
   81    82   340.000  1.088
   81    83   340.000  1.088
   81    84   335.000  1.432
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    39    42    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    45    50.00000  109.50000
   41    39    40    45.00000  125.66300
   42    39    40    50.00000  109.50000
   42    39    41    37.50000  110.70000
   42    45    46    75.00000  111.00000
   44    42    43    33.00000  107.80000
   45    42    43    35.00000  109.50000
   45    42    44    35.00000  109.50000
   45    46    47    70.00000  120.00000
   45    46    55    70.00000  120.00000
   46    47    48    35.00000  120.00000
   46    47    49    63.00000  120.00000
   46    55    52    63.00000  120.00000
   46    55    56    35.00000  120.00000
   47    49    50    35.00000  120.00000
   47    49    51    63.00000  120.00000
   49    47    48    35.00000  120.00000
   49    51    52    63.00000  120.00000
   49    51    54    70.00000  120.00000
   51    49    50    35.00000  120.00000
   51    52    53    35.00000  120.00000
   51    52    55    63.00000  120.00000
   51    54    57    70.00000  112.04700
   51    54    58    70.00000  112.17500
   51    54    62    70.00000  112.17500
   52    55    56    35.00000  120.00000
   55    46    47    63.00000  120.00000
   55    52    53    35.00000  120.00000
   54    51    52    70.00000  120.00000
   54    57    66    70.00000  120.00000
   54    57    74    70.00000  120.00000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    61    37.50000  110.70000
   54    62    63    37.50000  110.70000
   54    62    64    37.50000  110.70000
   54    62    65    37.50000  110.70000
   57    66    67    35.00000  120.00000
   57    66    68    63.00000  120.00000
   57    74    71    63.00000  120.00000
   57    74    75    35.00000  120.00000
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    70    71    63.00000  120.00000
   68    70    73    70.00000  120.00000
   70    68    69    35.00000  120.00000
   70    71    72    35.00000  120.00000
   70    71    74    63.00000  120.00000
   70    73    76    75.00000  111.00000
   71    74    75    35.00000  120.00000
   74    57    66    63.00000  120.00000
   74    71    72    35.00000  120.00000
   73    70    71    70.00000  120.00000
   73    76    77    35.00000  109.50000
   73    76    78    35.00000  109.50000
   73    76    79    50.00000  109.50000
   76    79    80    40.00000  115.04500
   76    79    81    60.00000  120.94000
   76    79    84    80.00000  116.47100
   78    76    77    33.00000  107.80000
   79    76    77    45.00000  109.38400
   79    76    78    45.00000  109.38400
   79    81    82    37.50000  117.20000
   79    81    83    37.50000  117.20000
   79    81    84    15.00000   60.43100
   79    84    81    15.00000   59.14900
   81    79    80    37.50000  117.20000
   83    81    82    35.00000  114.30000
   84    79    80    50.00000  114.27700
   84    79    81    15.00000   60.43100
   84    81    82    50.00000  114.27700
   84    81    83    50.00000  114.27700
   58    54    57    70.00000  112.17500
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    54    57    70.00000  112.17500
   62    54    58    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.44750  1.0 1.0
   29    33    39    42  -0.17800 -1.0 2.0
   29    33    39    42   0.20200  1.0 3.0
   33    39    42    43   0.15000  1.0 3.0
   33    39    42    44   0.15000  1.0 3.0
   33    39    42    45   0.62750  1.0 1.0
   33    39    42    45  -0.30950 -1.0 2.0
   33    39    42    45   0.27300  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   35    33    39    40   0.23400  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    42   0.15000  1.0 3.0
   39    42    45    46  -0.32850  1.0 1.0
   39    42    45    46  -0.35800 -1.0 2.0
   39    42    45    46   0.33950  1.0 3.0
   40    39    42    43   0.23400  1.0 3.0
   40    39    42    44   0.23400  1.0 3.0
   40    39    42    45   1.11900  1.0 1.0
   40    39    42    45  -1.16350 -1.0 2.0
   40    39    42    45  -0.34150  1.0 3.0
   41    39    42    43   0.15000  1.0 3.0
   41    39    42    44   0.15000  1.0 3.0
   41    39    42    45   0.23400  1.0 3.0
   42    45    46    47   1.63200 -1.0 2.0
   42    45    46    55   1.63200 -1.0 2.0
   43    42    45    46   0.08050  1.0 3.0
   44    42    45    46   0.08050  1.0 3.0
   45    46    47    48   3.62500 -1.0 2.0
   45    46    47    49   3.62500 -1.0 2.0
   45    46    55    52   3.62500 -1.0 2.0
   45    46    55    56   3.62500 -1.0 2.0
   46    47    49    50   3.62500 -1.0 2.0
   46    47    49    51   3.62500 -1.0 2.0
   47    46    55    52   3.62500 -1.0 2.0
   47    46    55    56   3.62500 -1.0 2.0
   47    49   -51    52   3.62500 -1.0 2.0
   47    49    51    54   3.62500 -1.0 2.0
   48    47    49    50   3.62500 -1.0 2.0
   48    47    49    51   3.62500 -1.0 2.0
   49    51    52    53   3.62500 -1.0 2.0
   49    51    52    55   3.62500 -1.0 2.0
   49    51    54    57   0.04300 -1.0 2.0
   49    51    54    58   0.04150 -1.0 2.0
   49    51    54    62   0.04150 -1.0 2.0
   50    49    51    52   3.62500 -1.0 2.0
   50    49    51    54   3.62500 -1.0 2.0
   51    52   -55    46   3.62500 -1.0 2.0
   51    52    55    56   3.62500 -1.0 2.0
   51    54    57    66   0.04300 -1.0 2.0
   51    54    57    74   0.04300 -1.0 2.0
   51    54    58    59   0.43200  1.0 3.0
   51    54    58    60   0.43200  1.0 3.0
   51    54    58    61   0.43200  1.0 3.0
   51    54    62    63   0.43200  1.0 3.0
   51    54    62    64   0.43200  1.0 3.0
   51    54    62    65   0.43200  1.0 3.0
   52    51    54    57   0.04300 -1.0 2.0
   52    51    54    58   0.04150 -1.0 2.0
   52    51    54    62   0.04150 -1.0 2.0
   53    52    55    46   3.62500 -1.0 2.0
   53    52    55    56   3.62500 -1.0 2.0
   55    46    47    48   3.62500 -1.0 2.0
   55    46   -47    49   3.62500 -1.0 2.0
   54    51    52    53   3.62500 -1.0 2.0
   54    51    52    55   3.62500 -1.0 2.0
   54    57    66    67   3.62500 -1.0 2.0
   54    57    66    68   3.62500 -1.0 2.0
   54    57    74    71   3.62500 -1.0 2.0
   54    57    74    75   3.62500 -1.0 2.0
   57    54    58    59   0.43200  1.0 3.0
   57    54    58    60   0.43200  1.0 3.0
   57    54    58    61   0.43200  1.0 3.0
   57    54    62    63   0.43200  1.0 3.0
   57    54    62    64   0.43200  1.0 3.0
   57    54    62    65   0.43200  1.0 3.0
   57    66    68    69   3.62500 -1.0 2.0
   57    66    68    70   3.62500 -1.0 2.0
   66    57    74    71   3.62500 -1.0 2.0
   66    57    74    75   3.62500 -1.0 2.0
   66    68   -70    71   3.62500 -1.0 2.0
   66    68    70    73   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    70    71    72   3.62500 -1.0 2.0
   68    70    71    74   3.62500 -1.0 2.0
   68    70    73    76   1.63200 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    73   3.62500 -1.0 2.0
   70    71   -74    57   3.62500 -1.0 2.0
   70    71    74    75   3.62500 -1.0 2.0
   70    73    76    77   0.08050  1.0 3.0
   70    73    76    78   0.08050  1.0 3.0
   70    73    76    79  -0.32850  1.0 1.0
   70    73    76    79  -0.35800 -1.0 2.0
   70    73    76    79   0.33950  1.0 3.0
   71    70    73    76   1.63200 -1.0 2.0
   72    71    74    57   3.62500 -1.0 2.0
   72    71    74    75   3.62500 -1.0 2.0
   74    57    66    67   3.62500 -1.0 2.0
   74    57   -66    68   3.62500 -1.0 2.0
   73    70    71    72   3.62500 -1.0 2.0
   73    70    71    74   3.62500 -1.0 2.0
   73    76    79    80   0.23400  1.0 3.0
   73    76    79    81  -0.26800  1.0 1.0
   73    76    79    81   0.69150 -1.0 2.0
   73    76    79    81  -0.48750  1.0 3.0
   73    76    79    84   1.11900  1.0 1.0
   73    76    79    84  -1.16350 -1.0 2.0
   73    76    79    84  -0.34150  1.0 3.0
   76    79    81    82   0.15000  1.0 3.0
   76    79    81    83   0.15000  1.0 3.0
   76    79   -81    84   0.02550  1.0 1.0
   76    79   -81    84  -0.02600 -1.0 2.0
   76    79   -81    84   1.20400  1.0 3.0
   76    79   -84    81   0.06250  1.0 1.0
   76    79   -84    81  -0.01100 -1.0 2.0
   76    79   -84    81   0.28050  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    84   0.23400  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    81   0.15000  1.0 3.0
   78    76    79    84   0.23400  1.0 3.0
   80    79    81    82   0.15000  1.0 3.0
   80    79    81    83   0.15000  1.0 3.0
   80    79   -81    84   0.23400  1.0 3.0
   80    79   -84    81   0.36800  1.0 3.0
   82    81   -84    79   0.36800  1.0 3.0
   83    81   -84    79   0.36800  1.0 3.0
   84    79   -81    82   0.23400  1.0 3.0
   84    79   -81    83   0.23400  1.0 3.0
   58    54    57    66   0.04150 -1.0 2.0
   58    54    57    74   0.04150 -1.0 2.0
   58    54    62    63   0.15000  1.0 3.0
   58    54    62    64   0.15000  1.0 3.0
   58    54    62    65   0.15000  1.0 3.0
   62    54    57    66   0.04150 -1.0 2.0
   62    54    57    74   0.04150 -1.0 2.0
   62    54    58    59   0.15000  1.0 3.0
   62    54    58    60   0.15000  1.0 3.0
   62    54    58    61   0.15000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   47    55    46    45   4.00000 -1.0 2.0
   49    48    47    46   1.10000 -1.0 2.0
   51    50    49    47   1.10000 -1.0 2.0
   52    54    51    49   4.00000 -1.0 2.0
   55    53    52    51   1.10000 -1.0 2.0
   52    56    55    46   1.10000 -1.0 2.0
   66    74    57    54   4.00000 -1.0 2.0
   68    67    66    57   1.10000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   71    73    70    68   4.00000 -1.0 2.0
   74    72    71    70   1.10000 -1.0 2.0
   71    75    74    57   1.10000 -1.0 2.0
END
