* LIGAND DATABASE FILE (OPLS2005)
*
001      88    87    155    227     454
    1     0 S   NP   _N1_     1    28.52896    94.38113   -23.44204
    2     1 S   H    _HN1     2     1.02959    83.72919    27.27962
    3     1 S   H    _H1_     3     1.02835    26.23160  -179.83687
    4     1 S   H    _H2_     4     1.02780   105.17683   -80.05628
    5     1 S   CT   _CA1     5     1.50127   132.12616   139.18552
    6     5 S   HC   _HA1     6     1.09577   105.20406    77.17046
    7     5 S   CO3  _C1_     7     1.53766   112.41094   -42.98067
    8     7 S   O2Z  _O11     8     1.26359   114.99889   -43.35261
    9     7 S   O2Z  _O12     9     1.26239   114.91455   135.76206
   10     5 S   CT   _CB1    10     1.53091   107.41872  -164.96281
   11    10 S   HC   HB11    11     1.09828   109.24619   -50.94427
   12    10 S   HC   HB12    12     1.09817   110.44934    65.57912
   13    10 S   CT   _CG1    13     1.53026   112.71947  -172.05285
   14    13 S   HC   HG11    14     1.09593   110.47598   -65.47480
   15    13 S   HC   HG12    15     1.09660   109.93437    53.75565
   16    13 S   C    _CD1    16     1.51831   112.29773   174.04603
   17    16 S   O    _OE1    17     1.22728   123.23662     0.32203
   18    16 S   N    _N2_    18     1.38651   111.68055  -179.37037
   19    18 S   H    _HN2    19     1.01584   119.07260     0.87492
   20    18 S   CT1  _CA2    20     1.46064   123.28248   178.76742
   21    20 S   HC   _HA2    21     1.09672   109.27521    -3.86168
   22    20 S   C    _C2_    22     1.53459   108.88328  -118.96073
   23    22 S   O    _O2_    23     1.23045   122.17684  -146.68185
   24    20 S   CT   _CB2    32     1.53211   111.69409   118.39895
   25    24 S   HC   HB21    33     1.09615   110.27981    56.79763
   26    24 S   HC   HB22    34     1.09521   110.60636   174.63838
   27    22 S   N    _N3_    24     1.38485   113.53517    41.01483
   28    27 S   H    _HN3    25     1.01491   119.00382    -0.70997
   29    24 S   S    _SG2    35     1.82480   113.79712   -63.95531
   30    27 S   CT   _CA3    26     1.45427   123.28916   174.46693
   31    30 S   HC   HA31    27     1.09531   109.12686    27.59917
   32    30 S   HC   HA32    28     1.09492   107.18859   144.61390
   33    29 S   OS   _O35    36     1.66712    99.41819   -56.44802
   34    30 S   CO3  _C3_    29     1.52933   113.03739   -95.75586
   35    34 S   O2Z  _O31    30     1.26409   115.36599   -45.75693
   36    34 S   O2Z  _O32    31     1.26348   115.00740   135.12295
   37    33 S   CT   _C9_    37     1.43573   115.93519   -84.22783
   38    37 S   HC   _H3_    38     1.09652   109.90877    36.15306
   39    37 S   CM   _C10    39     1.50710   109.29742   -86.29455
   40    39 S   HC   _H15    40     1.08797   116.49265   -55.05857
   41    37 S   CT   _C8_    73     1.53870   105.83796   153.52878
   42    41 S   HC   _H13    74     1.09912   109.19562    62.76931
   43    41 S   HC   _H14    75     1.09757   109.04704   -50.67336
   44    39 S   CM   _C11    41     1.34220   123.52965   125.20152
   45    44 S   HC   _H16    42     1.08544   119.18096    -0.15949
   46    41 S   CT   _C7_    76     1.53165   115.56509  -174.66076
   47    46 S   HC   _H11    77     1.09742   108.11363  -178.27773
   48    46 S   HC   _H12    78     1.09650   109.62844   -63.18923
   49    44 S   CM   _C12    43     1.44463   122.84478   178.86806
   50    49 S   HC   _H17    44     1.08868   116.35288     0.70527
   51    46 S   CT   _C6_    79     1.53164   115.46610    59.92395
   52    51 S   HC   _H9_    80     1.09473   109.89906   -65.48016
   53    51 S   HC   _H10    81     1.09729   107.98271   179.03348
   54    49 S   CM   _C13    45     1.34256   126.27159  -177.84351
   55    54 S   HC   _H18    46     1.08934   116.98864   178.39709
   56    51 S   CT   _C5_    82     1.52942   113.50425    57.83716
   57    56 S   HC   _H7_    83     1.09549   110.32286   -65.53967
   58    56 S   HC   _H8_    84     1.09604   109.88554    52.68793
   59    54 S   CT   _C14    47     1.50424   127.91880    -1.93836
   60    59 S   HC   _H19    48     1.09685   107.93858  -153.62802
   61    59 S   HC   _H20    49     1.09405   109.97800   -38.29530
   62    56 S   CT   _C4_    85     1.52080   111.52217   173.75823
   63    62 S   HC   _H4_    86     1.09463   111.03198   -60.36178
   64    62 S   HC   _H5_    87     1.09453   110.22215   179.92338
   65    62 S   HC   _H6_    88     1.09400   111.05937    60.21869
   66    59 S   CM   _C15    50     1.50157   111.86686    86.96719
   67    66 S   HC   _H21    51     1.08915   116.43227    39.19974
   68    66 S   CM   _C16    52     1.34283   126.47983  -140.26413
   69    68 S   HC   _H22    53     1.08901   117.35659   178.32719
   70    68 S   CT   _C17    54     1.50320   127.07988    -4.24667
   71    70 S   HC   _H23    55     1.09394   109.92817   -27.32334
   72    70 S   HC   _H24    56     1.09689   107.84236  -142.51105
   73    70 S   CM   _C18    57     1.50051   112.07806    98.07704
   74    73 S   HC   _H25    58     1.08890   116.17342    41.32167
   75    73 S   CM   _C19    59     1.34279   126.77883  -138.87956
   76    75 S   HC   _H26    60     1.08882   117.45984   178.88566
   77    75 S   CT   _C20    61     1.50152   127.18466    -3.51981
   78    77 S   HC   _H27    62     1.09483   111.52367   -14.70979
   79    77 S   HC   _H28    63     1.09726   107.89978  -130.53999
   80    77 S   CT   _C21    64     1.52856   111.85714   108.86129
   81    80 S   HC   _H29    65     1.09654   109.82891    57.82256
   82    80 S   HC   _H30    66     1.09655   109.74737   -59.32099
   83    80 S   CT   _C22    67     1.52602   111.11002   179.07254
   84    83 S   HC   _H31    68     1.09714   109.53657    57.99638
   85    83 S   HC   _H32    69     1.09725   109.28042   -59.23119
   86    83 S   CO3  _C23    70     1.53135   115.39863   179.01802
   87    86 S   O2Z  _O34    71     1.26520   114.05871   170.05952
   88    86 S   O2Z  _O33    72     1.26087   116.62756   -10.32872
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
   9   2   1   1  13   7  10   4  10   5   4   6   3   9   5   4
   7   3   9   5   4   7   4   6   5   4   7   4   3   3   2   1
   1   7   3   7   4   7   4   3   7   3   8   4   9   5   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    44    41    42    43    46  
   35    36  
   36  
    0  
   38    39    40    44    45    49    41    42    43    46    47    48    51  
   39    40    44    41    42    43    46  
   40    44    45    49    50    54    41    42    43    46  
   44    45    49    41  
   42    43    46    47    48    51    52    53    56    44  
   43    46    47    48    51  
   46    47    48    51  
   45    49    50    54    55    59  
   49    50    54  
   47    48    51    52    53    56    57    58    62  
   48    51    52    53    56  
   51    52    53    56  
   50    54    55    59    60    61    66  
   54    55    59  
   52    53    56    57    58    62    63    64    65  
   53    56    57    58    62  
   56    57    58    62  
   55    59    60    61    66    67    68  
   59    60    61    66  
   57    58    62    63    64    65  
   58    62    63    64    65  
   62    63    64    65  
   60    61    66    67    68    69    70  
   61    66    67    68  
   66    67    68  
   63    64    65  
   64    65  
   65  
    0  
   67    68    69    70    71    72    73  
   68    69    70  
   69    70    71    72    73    74    75  
   70    71    72    73  
   71    72    73    74    75    76    77  
   72    73    74    75  
   73    74    75  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77    78    79    80    81    82    83  
   77    78    79    80  
   78    79    80    81    82    83    84    85    86  
   79    80    81    82    83  
   80    81    82    83  
   81    82    83    84    85    86    87    88  
   82    83    84    85    86  
   83    84    85    86  
   84    85    86    87    88  
   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   0.047500   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   2.9000   0.1400  -0.415000   1.5900   1.4000   0.020110767  -0.896042159
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   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   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   655.000  1.490
   33    37   320.000  1.410
   37    38   340.000  1.090
   37    39   317.000  1.510
   37    41   268.000  1.529
   39    40   340.000  1.080
   39    44   549.000  1.340
   44    45   340.000  1.080
   44    49   380.000  1.444
   49    50   340.000  1.080
   49    54   549.000  1.340
   54    55   340.000  1.080
   54    59   317.000  1.510
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    66   317.000  1.510
   66    67   340.000  1.080
   66    68   549.000  1.340
   68    69   340.000  1.080
   68    70   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   317.000  1.510
   73    74   340.000  1.080
   73    75   549.000  1.340
   75    76   340.000  1.080
   75    77   317.000  1.510
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   317.000  1.522
   86    87   656.000  1.250
   86    88   656.000  1.250
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   268.000  1.529
   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33   110.00000  101.00000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37   100.00000  113.00000
   33    37    38    35.00000  109.50000
   33    37    39    85.00000  110.90400
   33    37    41    50.00000  109.50000
   37    39    40    35.00000  117.00000
   37    39    44    70.00000  124.00000
   37    41    42    37.50000  110.70000
   37    41    43    37.50000  110.70000
   37    41    46    58.35000  112.70000
   39    37    38    35.00000  109.50000
   39    44    45    35.00000  120.00000
   39    44    49    70.00000  123.01800
   44    39    40    35.00000  120.00000
   44    49    50    35.00000  120.00000
   44    49    54    70.00000  123.01800
   49    44    45    35.00000  120.00000
   49    54    55    35.00000  120.00000
   49    54    59    70.00000  124.00000
   54    49    50    35.00000  120.00000
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   54    59    66    70.00000  110.12100
   59    54    55    35.00000  117.00000
   59    66    67    35.00000  117.00000
   59    66    68    70.00000  124.00000
   61    59    60    33.00000  107.80000
   66    59    60    35.00000  109.50000
   66    59    61    35.00000  109.50000
   66    68    69    35.00000  120.00000
   66    68    70    70.00000  124.00000
   68    66    67    35.00000  120.00000
   68    70    71    35.00000  109.50000
   68    70    72    35.00000  109.50000
   68    70    73    70.00000  110.12100
   70    68    69    35.00000  117.00000
   70    73    74    35.00000  117.00000
   70    73    75    70.00000  124.00000
   72    70    71    33.00000  107.80000
   73    70    71    35.00000  109.50000
   73    70    72    35.00000  109.50000
   73    75    76    35.00000  120.00000
   73    75    77    70.00000  124.00000
   75    73    74    35.00000  120.00000
   75    77    78    35.00000  109.50000
   75    77    79    35.00000  109.50000
   75    77    80    70.00000  112.02700
   77    75    76    35.00000  117.00000
   77    80    81    37.50000  110.70000
   77    80    82    37.50000  110.70000
   77    80    83    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    37.50000  110.70000
   80    77    79    37.50000  110.70000
   80    83    84    37.50000  110.70000
   80    83    85    37.50000  110.70000
   80    83    86    70.00000  109.69300
   82    80    81    33.00000  107.80000
   83    80    81    37.50000  110.70000
   83    80    82    37.50000  110.70000
   83    86    87    70.00000  117.00000
   83    86    88    70.00000  117.00000
   85    83    84    33.00000  107.80000
   86    83    84    35.00000  109.50000
   86    83    85    35.00000  109.50000
   88    86    87    80.00000  126.00000
   41    37    38    37.50000  110.70000
   41    37    39    70.00000  112.02700
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    51    58.35000  112.70000
   43    41    42    33.00000  107.80000
   46    41    42    37.50000  110.70000
   46    41    43    37.50000  110.70000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    56    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    62    58.35000  112.70000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    62    63    37.50000  110.70000
   56    62    64    37.50000  110.70000
   56    62    65    37.50000  110.70000
   58    56    57    33.00000  107.80000
   62    56    57    37.50000  110.70000
   62    56    58    37.50000  110.70000
   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   0.00000  1.0 1.0
   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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -2.50000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.37500  1.0 3.0
   29    33    37    39   0.37500  1.0 3.0
   29    33    37    41   0.37500  1.0 3.0
   33    37    39    40   0.00000  1.0 1.0
   33    37    39    44   0.39000  1.0 1.0
   33    37    39    44  -0.05800 -1.0 2.0
   33    37    39    44  -0.55150  1.0 3.0
   33    37    41    42   0.23400  1.0 3.0
   33    37    41    43   0.23400  1.0 3.0
   33    37    41    46   0.62750  1.0 1.0
   33    37    41    46  -0.30950 -1.0 2.0
   33    37    41    46   0.27300  1.0 3.0
   37    39    44    45   7.00000 -1.0 2.0
   37    39    44    49   7.00000 -1.0 2.0
   37    41    46    47   0.15000  1.0 3.0
   37    41    46    48   0.15000  1.0 3.0
   37    41    46    51   0.56750  1.0 1.0
   37    41    46    51  -0.07550 -1.0 2.0
   37    41    46    51   0.20000  1.0 3.0
   38    37    39    40   0.33100  1.0 3.0
   38    37    39    44   0.00000  1.0 1.0
   38    37    41    42   0.15000  1.0 3.0
   38    37    41    43   0.15000  1.0 3.0
   38    37    41    46   0.15000  1.0 3.0
   39    37    41    42   0.15000  1.0 3.0
   39    37    41    43   0.15000  1.0 3.0
   39    37    41    46   0.34400  1.0 1.0
   39    37    41    46   0.09450 -1.0 2.0
   39    37    41    46   0.11100  1.0 3.0
   39    44    49    50  -0.18600  1.0 3.0
   39    44    49    54   0.28850  1.0 1.0
   39    44    49    54   2.61350 -1.0 2.0
   39    44    49    54   0.78400  1.0 3.0
   40    39    44    45   7.00000 -1.0 2.0
   40    39    44    49   7.00000 -1.0 2.0
   44    49    54    55   7.00000 -1.0 2.0
   44    49    54    59   7.00000 -1.0 2.0
   45    44    49    50   0.00000  1.0 1.0
   45    44    49    54  -0.18600  1.0 3.0
   49    54    59    60   0.00000  1.0 1.0
   49    54    59    61   0.00000  1.0 1.0
   49    54    59    66  -0.28300  1.0 1.0
   49    54    59    66   0.26700 -1.0 2.0
   49    54    59    66  -0.63300  1.0 3.0
   50    49    54    55   7.00000 -1.0 2.0
   50    49    54    59   7.00000 -1.0 2.0
   54    59    66    67   0.00000  1.0 1.0
   54    59    66    68  -0.28300  1.0 1.0
   54    59    66    68   0.26700 -1.0 2.0
   54    59    66    68  -0.63300  1.0 3.0
   55    54    59    60   0.33100  1.0 3.0
   55    54    59    61   0.33100  1.0 3.0
   55    54    59    66   0.00000  1.0 1.0
   59    66    68    69   7.00000 -1.0 2.0
   59    66    68    70   7.00000 -1.0 2.0
   60    59    66    67   0.33100  1.0 3.0
   60    59    66    68   0.00000  1.0 1.0
   61    59    66    67   0.33100  1.0 3.0
   61    59    66    68   0.00000  1.0 1.0
   66    68    70    71   0.00000  1.0 1.0
   66    68    70    72   0.00000  1.0 1.0
   66    68    70    73  -0.28300  1.0 1.0
   66    68    70    73   0.26700 -1.0 2.0
   66    68    70    73  -0.63300  1.0 3.0
   67    66    68    69   7.00000 -1.0 2.0
   67    66    68    70   7.00000 -1.0 2.0
   68    70    73    74   0.00000  1.0 1.0
   68    70    73    75  -0.28300  1.0 1.0
   68    70    73    75   0.26700 -1.0 2.0
   68    70    73    75  -0.63300  1.0 3.0
   69    68    70    71   0.33100  1.0 3.0
   69    68    70    72   0.33100  1.0 3.0
   69    68    70    73   0.00000  1.0 1.0
   70    73    75    76   7.00000 -1.0 2.0
   70    73    75    77   7.00000 -1.0 2.0
   71    70    73    74   0.33100  1.0 3.0
   71    70    73    75   0.00000  1.0 1.0
   72    70    73    74   0.33100  1.0 3.0
   72    70    73    75   0.00000  1.0 1.0
   73    75    77    78   0.00000  1.0 1.0
   73    75    77    79   0.00000  1.0 1.0
   73    75    77    80   0.09850  1.0 1.0
   73    75    77    80   0.15250 -1.0 2.0
   73    75    77    80  -0.50650  1.0 3.0
   74    73    75    76   7.00000 -1.0 2.0
   74    73    75    77   7.00000 -1.0 2.0
   75    77    80    81   0.15000  1.0 3.0
   75    77    80    82   0.15000  1.0 3.0
   75    77    80    83   0.34400  1.0 1.0
   75    77    80    83   0.09450 -1.0 2.0
   75    77    80    83   0.11100  1.0 3.0
   76    75    77    78   0.33100  1.0 3.0
   76    75    77    79   0.33100  1.0 3.0
   76    75    77    80   0.00000  1.0 1.0
   77    80    83    84   0.15000  1.0 3.0
   77    80    83    85   0.15000  1.0 3.0
   77    80    83    86  -1.63150  1.0 1.0
   77    80    83    86  -0.43550 -1.0 2.0
   77    80    83    86   0.24500  1.0 3.0
   78    77    80    81   0.15000  1.0 3.0
   78    77    80    82   0.15000  1.0 3.0
   78    77    80    83   0.15000  1.0 3.0
   79    77    80    81   0.15000  1.0 3.0
   79    77    80    82   0.15000  1.0 3.0
   79    77    80    83   0.15000  1.0 3.0
   80    83    86    87   0.41150 -1.0 2.0
   80    83    86    88   0.41150 -1.0 2.0
   81    80    83    84   0.15000  1.0 3.0
   81    80    83    85   0.15000  1.0 3.0
   81    80    83    86  -0.11250  1.0 3.0
   82    80    83    84   0.15000  1.0 3.0
   82    80    83    85   0.15000  1.0 3.0
   82    80    83    86  -0.11250  1.0 3.0
   84    83    86    87   0.00000  1.0 1.0
   84    83    86    88   0.00000  1.0 1.0
   85    83    86    87   0.00000  1.0 1.0
   85    83    86    88   0.00000  1.0 1.0
   41    37    39    40   0.00000  1.0 1.0
   41    37    39    44   0.09850  1.0 1.0
   41    37    39    44   0.15250 -1.0 2.0
   41    37    39    44  -0.50650  1.0 3.0
   41    46    51    52   0.15000  1.0 3.0
   41    46    51    53   0.15000  1.0 3.0
   41    46    51    56   0.56750  1.0 1.0
   41    46    51    56  -0.07550 -1.0 2.0
   41    46    51    56   0.20000  1.0 3.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    48   0.15000  1.0 3.0
   42    41    46    51   0.15000  1.0 3.0
   43    41    46    47   0.15000  1.0 3.0
   43    41    46    48   0.15000  1.0 3.0
   43    41    46    51   0.15000  1.0 3.0
   46    51    56    57   0.15000  1.0 3.0
   46    51    56    58   0.15000  1.0 3.0
   46    51    56    62   0.56750  1.0 1.0
   46    51    56    62  -0.07550 -1.0 2.0
   46    51    56    62   0.20000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    56   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    56   0.15000  1.0 3.0
   51    56    62    63   0.15000  1.0 3.0
   51    56    62    64   0.15000  1.0 3.0
   51    56    62    65   0.15000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    62   0.15000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    62   0.15000  1.0 3.0
   57    56    62    63   0.15000  1.0 3.0
   57    56    62    64   0.15000  1.0 3.0
   57    56    62    65   0.15000  1.0 3.0
   58    56    62    63   0.15000  1.0 3.0
   58    56    62    64   0.15000  1.0 3.0
   58    56    62    65   0.15000  1.0 3.0
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
   35    30    34    36  10.50000 -1.0 2.0
   37    40    39    44  15.00000 -1.0 2.0
   49    45    44    39  15.00000 -1.0 2.0
   44    50    49    54  15.00000 -1.0 2.0
   59    55    54    49  15.00000 -1.0 2.0
   59    67    66    68  15.00000 -1.0 2.0
   70    69    68    66  15.00000 -1.0 2.0
   70    74    73    75  15.00000 -1.0 2.0
   77    76    75    73  15.00000 -1.0 2.0
   87    83    86    88  10.50000 -1.0 2.0
END
