* LIGAND DATABASE FILE (OPLS2005)
*
001      84    83    149    214     433
    1     0 S   NP   _N1_     1    29.54305    99.41393   -23.31119
    2     1 S   H    _HN1     2     1.02959    57.92588     0.63612
    3     1 S   H    _H1_     3     1.02839    51.24127   161.88750
    4     1 S   H    _H2_     4     1.02777   108.60587   -99.77858
    5     1 S   CT   _CA1     5     1.50130   139.00666    85.27540
    6     5 S   HC   _HA1     6     1.09572   105.23532   113.52017
    7     5 S   CO3  _C1_     7     1.53798   112.28503    -6.73266
    8     7 S   O2Z  _O11     8     1.26367   114.98882   -45.25374
    9     7 S   O2Z  _O12     9     1.26225   114.95723   133.80928
   10     5 S   CT   _CB1    10     1.53105   107.42944  -128.52148
   11    10 S   HC   HB11    11     1.09828   109.42294   -50.06086
   12    10 S   HC   HB12    12     1.09815   110.41458    66.52466
   13    10 S   CT   _CG1    13     1.53015   112.61985  -171.07577
   14    13 S   HC   HG11    14     1.09591   110.54456   -63.48633
   15    13 S   HC   HG12    15     1.09657   109.87992    55.71104
   16    13 S   C    _CD1    16     1.51829   112.28118   176.17674
   17    16 S   O    _OE1    17     1.22763   123.34061     2.31258
   18    16 S   N    _N2_    18     1.38586   111.75189  -177.91606
   19    18 S   H    _HN2    19     1.01615   119.00846     4.69603
   20    18 S   CT1  _CA2    20     1.45895   122.78696   178.02286
   21    20 S   HC   _HA2    21     1.09634   109.70370    23.45385
   22    20 S   C    _C2_    22     1.52633   104.48232   -94.42261
   23    22 S   O    _O2_    23     1.22998   122.30297   -72.10559
   24    20 S   CTL  _CB2    32     1.53092   111.86532   146.64945
   25    24 S   HC   HB21    33     1.09596   110.47603    50.62405
   26    24 S   HC   HB22    34     1.09552   109.78168   169.99797
   27    22 S   N    _N3_    24     1.38482   113.02291   103.95634
   28    27 S   H    _HN3    25     1.01502   119.86856     4.03342
   29    24 S   S    _SG2    35     1.82702   110.71412   -69.84376
   30    27 S   CT   _CA3    26     1.45359   122.65158  -178.15729
   31    30 S   HC   HA31    27     1.09523   108.49054    39.06111
   32    30 S   HC   HA32    28     1.09487   107.29685   155.74009
   33    29 S   S    _S1_    36     2.05472   101.73409   175.52009
   34    30 S   CO3  _C3_    29     1.52851   113.68209   -84.12916
   35    34 S   O2Z  _O31    30     1.26330   115.65326   -41.97446
   36    34 S   O2Z  _O32    31     1.26392   114.79567   138.82687
   37    33 S   CTL  _C8_    37     1.82986   102.16739    84.32943
   38    37 S   HC   _H11    38     1.09515   108.54918   -45.51757
   39    37 S   HC   _H12    39     1.09478   107.99725    71.44988
   40    37 S   CT1  _C7_    40     1.53448   112.80512  -166.52414
   41    40 S   HC   _H4_    41     1.09707   108.81677   177.51029
   42    40 S   CO4  _C9_    42     1.52775   112.84212   -63.47689
   43    42 S   O    _O34    43     1.23178   122.39095   100.87544
   44    40 S   N    _N4_    48     1.45739   112.35413    59.63015
   45    44 S   H    _H10    49     1.01655   117.68844   -99.68949
   46    42 S   CT   _C10    44     1.50744   116.75189   -77.35348
   47    46 S   HC   _H13    45     1.09214   109.87320    66.91437
   48    46 S   HC   _H14    46     1.09368   109.57930  -173.41680
   49    46 S   HC   _H15    47     1.09280   109.69657   -54.44122
   50    44 S   C    _C6_    50     1.38585   122.54804    75.57669
   51    50 S   O    _O33    51     1.22947   124.37867     6.40389
   52    50 S   CT1  _C5_    52     1.52646   112.54809  -175.15799
   53    52 S   HC   _H3_    53     1.09633   109.36601    35.02009
   54    52 S   CT   _C4_    54     1.52078   110.30443   -85.95150
   55    54 S   HC   _H7_    55     1.09604   111.29266   -58.36461
   56    54 S   HC   _H8_    56     1.09507   111.06752    61.46126
   57    54 S   HC   _H9_    57     1.09513   110.79896  -178.16453
   58    52 S   N    _N5_    58     1.45449   107.52301   152.39602
   59    58 S   H    _H16    59     1.01548   118.08502    89.27540
   60    58 S   C    _C11    60     1.38817   122.28094   -84.13504
   61    60 S   O    _O35    61     1.22937   124.28794    -2.01567
   62    60 S   CT1  _C12    62     1.52699   112.58565   176.58511
   63    62 S   HC   _H5_    63     1.09613   108.69107    48.37619
   64    62 S   CT   _C13    64     1.52324   110.86236   -72.26752
   65    64 S   HC   _H17    65     1.09595   111.01874   -57.62799
   66    64 S   HC   _H18    66     1.09476   111.44397    62.14361
   67    64 S   HC   _H19    67     1.09505   110.92446  -177.52030
   68    62 S   N    _N6_    68     1.45505   108.22826   166.48295
   69    68 S   H    _H20    69     1.01877   117.53335    41.66312
   70    68 S   C    _C14    70     1.38413   123.18938  -140.43396
   71    70 S   O    _O36    71     1.22979   124.78975     1.62895
   72    70 S   CT1  _C15    72     1.52695   112.85011  -179.22368
   73    72 S   HC   _H6_    73     1.09621   109.69223    43.82396
   74    72 S   CT   _C16    74     1.54119   109.77943   -79.09913
   75    74 S   SM   _S2_    75     1.83793   110.82377   175.28649
   76    74 S   HC   _H21    76     1.09748   108.83324    52.96092
   77    74 S   HC   _H22    77     1.09819   109.03028   -60.80358
   78    72 S   NP   _N7_    78     1.51292   110.41377   161.14963
   79    78 S   H    _H23    79     1.03079   107.25602   163.46404
   80    78 S   H    _H24    80     1.02887   109.06887    48.99070
   81    78 S   CT   _C17    81     1.48615   115.36942   -75.20076
   82    81 S   HC   _H25    82     1.09158   108.79113    62.10670
   83    81 S   HC   _H26    83     1.09230   107.23842  -178.61775
   84    81 S   HC   _H27    84     1.09224   108.34458   -59.55837
  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
   7   2   1   1  10   5   4  12   6   8   5   8   3   3   2   1
   1  10   4  10   7   6   3   2   1   7   3  10   4  10   7   6
   3   2   1   7   3  11   4  12   8   7   3   2   1   6   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    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    44  
   35    36  
   36  
    0  
   38    39    40    41    42    43    46    44    45    50  
   39    40    41    42    44  
   40    41    42    44  
   41    42    43    46    47    48    49    44    45    50    51    52  
   42    43    46    44    45    50  
   43    46    47    48    49    44    45    50  
   46    47    48    49    44  
   45    50    51    52    53    54    58    46  
   50    51    52  
   47    48    49  
   48    49  
   49  
    0  
   51    52    53    54    55    56    57    58    59    60  
   52    53    54    58  
   53    54    55    56    57    58    59    60    61    62  
   54    55    56    57    58    59    60  
   55    56    57    58    59    60  
   56    57    58  
   57    58  
   58  
   59    60    61    62    63    64    68  
   60    61    62  
   61    62    63    64    65    66    67    68    69    70  
   62    63    64    68  
   63    64    65    66    67    68    69    70    71    72  
   64    65    66    67    68    69    70  
   65    66    67    68    69    70  
   66    67    68  
   67    68  
   68  
   69    70    71    72    73    74    78  
   70    71    72  
   71    72    73    74    75    76    77    78    79    80    81  
   72    73    74    78  
   73    74    75    76    77    78    79    80    81    82    83    84  
   74    75    76    77    78    79    80    81  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81    82    83    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   0.097500   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  -0.217500   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   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   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   0.097500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   45   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   59   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   62   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   69   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   70   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   72   3.5000   0.0660   0.230000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.300000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.6000   0.3550  -0.900000   2.0300   1.8000   0.025682759  -1.666211680
   76   2.5000   0.0300   0.100000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.100000   1.6450   1.4500   0.008598240   0.268726247
   78   3.2500   0.1700  -0.200000   2.1950   1.9500   0.003973653   1.685851020
   79   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   80   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
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   166.000  2.038
   33    37   222.000  1.810
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   268.000  1.529
   40    41   340.000  1.090
   40    42   255.000  1.522
   40    44   337.000  1.449
   42    43   570.000  1.229
   42    46   317.000  1.522
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   44    45   434.000  1.010
   44    50   490.000  1.335
   50    51   570.000  1.229
   50    52   317.000  1.522
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    58   337.000  1.449
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   434.000  1.010
   58    60   490.000  1.335
   60    61   570.000  1.229
   60    62   317.000  1.522
   62    63   340.000  1.090
   62    64   268.000  1.529
   62    68   337.000  1.449
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   434.000  1.010
   68    70   490.000  1.335
   70    71   570.000  1.229
   70    72   317.000  1.522
   72    73   340.000  1.090
   72    74   268.000  1.529
   72    78   367.000  1.471
   74    75   222.000  1.810
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   434.000  1.010
   78    80   434.000  1.010
   78    81   367.000  1.471
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   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    50.00000  114.70000
   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    68.00000  103.70000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    68.00000  103.70000
   33    37    38    35.00000  109.50000
   33    37    39    35.00000  109.50000
   33    37    40    50.00000  114.70000
   37    40    41    37.50000  110.70000
   37    40    42    70.00000  110.61500
   37    40    44    80.00000  109.70000
   39    37    38    33.00000  107.80000
   40    37    38    37.50000  110.70000
   40    37    39    37.50000  110.70000
   40    42    43    75.00000  123.42600
   40    42    46    65.00000  117.09000
   40    44    45    38.00000  118.40000
   40    44    50    50.00000  121.90000
   42    40    41    45.00000  110.09800
   42    46    47    35.00000  109.50000
   42    46    48    35.00000  109.50000
   42    46    49    35.00000  109.50000
   46    42    43    80.00000  120.40000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    80.00000  110.29000
   44    50    51    80.00000  122.90000
   44    50    52    70.00000  116.60000
   50    44    45    35.00000  119.80000
   50    52    53    35.00000  109.50000
   50    52    54    63.00000  111.10000
   50    52    58    63.00000  110.10000
   52    50    51    80.00000  120.40000
   52    54    55    37.50000  110.70000
   52    54    56    37.50000  110.70000
   52    54    57    37.50000  110.70000
   52    58    59    38.00000  118.40000
   52    58    60    50.00000  121.90000
   54    52    53    37.50000  110.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    52    53    35.00000  109.50000
   58    52    54    80.00000  109.70000
   58    60    61    80.00000  122.90000
   58    60    62    70.00000  116.60000
   60    58    59    35.00000  119.80000
   60    62    63    35.00000  109.50000
   60    62    64    63.00000  111.10000
   60    62    68    63.00000  110.10000
   62    60    61    80.00000  120.40000
   62    64    65    37.50000  110.70000
   62    64    66    37.50000  110.70000
   62    64    67    37.50000  110.70000
   62    68    69    38.00000  118.40000
   62    68    70    50.00000  121.90000
   64    62    63    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    62    63    35.00000  109.50000
   68    62    64    80.00000  109.70000
   68    70    71    80.00000  122.90000
   68    70    72    70.00000  116.60000
   70    68    69    35.00000  119.80000
   70    72    73    35.00000  109.50000
   70    72    74    63.00000  111.10000
   70    72    78    80.00000  111.20000
   72    70    71    80.00000  120.40000
   72    74    75    50.00000  114.70000
   72    74    76    37.50000  110.70000
   72    74    77    37.50000  110.70000
   72    78    79    35.00000  109.50000
   72    78    80    35.00000  109.50000
   72    78    81    75.00000  113.01200
   74    72    73    37.50000  110.70000
   76    74    75    35.00000  109.50000
   77    74    75    35.00000  109.50000
   77    74    76    33.00000  107.80000
   78    72    73    35.00000  109.50000
   78    72    74    80.00000  111.20000
   78    81    82    35.00000  109.50000
   78    81    83    35.00000  109.50000
   78    81    84    35.00000  109.50000
   80    78    79    35.00000  109.50000
   81    78    79    35.00000  109.50000
   81    78    80    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    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   0.97050  1.0 1.0
   20    24    29    33  -0.41800 -1.0 2.0
   20    24    29    33   0.46750  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   0.22600  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  -3.70700 -1.0 2.0
   24    29    33    37   0.85250  1.0 3.0
   25    24    29    33   0.27900  1.0 3.0
   26    24    29    33   0.27900  1.0 3.0
   29    33    37    38   0.27900  1.0 3.0
   29    33    37    39   0.27900  1.0 3.0
   29    33    37    40   0.97050  1.0 1.0
   29    33    37    40  -0.41800 -1.0 2.0
   29    33    37    40   0.46750  1.0 3.0
   33    37    40    41   0.22600  1.0 3.0
   33    37    40    42  -2.17200  1.0 1.0
   33    37    40    42  -0.85700 -1.0 2.0
   33    37    40    44   0.71400  1.0 1.0
   33    37    40    44   0.04300 -1.0 2.0
   33    37    40    44   0.01450  1.0 3.0
   37    40    42    43   0.00000  1.0 1.0
   37    40    42    46   0.60050  1.0 1.0
   37    40    42    46   0.05600 -1.0 2.0
   37    40    42    46   0.26150  1.0 3.0
   37    40    44    45   0.00000  1.0 1.0
   37    40    44    50   0.25950  1.0 1.0
   37    40    44    50   0.43850 -1.0 2.0
   37    40    44    50   2.61650  1.0 3.0
   38    37    40    41   0.15000  1.0 3.0
   38    37    40    42  -0.03800  1.0 3.0
   38    37    40    44   0.23200  1.0 3.0
   39    37    40    41   0.15000  1.0 3.0
   39    37    40    42  -0.03800  1.0 3.0
   39    37    40    44   0.23200  1.0 3.0
   40    42    46    47   0.00000  1.0 1.0
   40    42    46    48   0.00000  1.0 1.0
   40    42    46    49   0.00000  1.0 1.0
   40    44    50    51   3.04450 -1.0 2.0
   40    44    50    52   1.15000  1.0 1.0
   40    44    50    52   3.04450 -1.0 2.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    46   0.00000  1.0 1.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    50   0.00000  1.0 1.0
   42    40    44    45   0.00000  1.0 1.0
   42    40    44    50  -0.29800  1.0 1.0
   42    40    44    50   0.13950 -1.0 2.0
   42    40    44    50  -2.45650  1.0 3.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    48   0.00000  1.0 1.0
   43    42    46    49   0.00000  1.0 1.0
   44    40    42    43   0.00000  1.0 1.0
   44    40    42    46   0.65300  1.0 1.0
   44    40    42    46  -0.03850 -1.0 2.0
   44    40    42    46   0.33900  1.0 3.0
   44    50    52    53   0.00000  1.0 1.0
   44    50    52    54   0.93250  1.0 1.0
   44    50    52    54   0.04450 -1.0 2.0
   44    50    52    54   0.17550  1.0 3.0
   44    50    52    58   0.37150  1.0 1.0
   44    50    52    58   1.25400 -1.0 2.0
   44    50    52    58  -0.40250  1.0 3.0
   45    44    50    51   2.45000 -1.0 2.0
   45    44    50    52   2.45000 -1.0 2.0
   50    52    54    55  -0.03800  1.0 3.0
   50    52    54    56  -0.03800  1.0 3.0
   50    52    54    57  -0.03800  1.0 3.0
   50    52    58    59   0.00000  1.0 1.0
   50    52    58    60  -0.29800  1.0 1.0
   50    52    58    60   0.13950 -1.0 2.0
   50    52    58    60  -2.45650  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    52    58   0.00000  1.0 1.0
   52    58    60    61   3.04450 -1.0 2.0
   52    58    60    62   1.15000  1.0 1.0
   52    58    60    62   3.04450 -1.0 2.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    56   0.15000  1.0 3.0
   53    52    54    57   0.15000  1.0 3.0
   53    52    58    59   0.00000  1.0 1.0
   53    52    58    60   0.00000  1.0 1.0
   54    52    58    59   0.00000  1.0 1.0
   54    52    58    60   0.25950  1.0 1.0
   54    52    58    60   0.43850 -1.0 2.0
   54    52    58    60   2.61650  1.0 3.0
   58    52    54    55   0.23200  1.0 3.0
   58    52    54    56   0.23200  1.0 3.0
   58    52    54    57   0.23200  1.0 3.0
   58    60    62    63   0.00000  1.0 1.0
   58    60    62    64   0.93250  1.0 1.0
   58    60    62    64   0.04450 -1.0 2.0
   58    60    62    64   0.17550  1.0 3.0
   58    60    62    68   0.37150  1.0 1.0
   58    60    62    68   1.25400 -1.0 2.0
   58    60    62    68  -0.40250  1.0 3.0
   59    58    60    61   2.45000 -1.0 2.0
   59    58    60    62   2.45000 -1.0 2.0
   60    62    64    65  -0.03800  1.0 3.0
   60    62    64    66  -0.03800  1.0 3.0
   60    62    64    67  -0.03800  1.0 3.0
   60    62    68    69   0.00000  1.0 1.0
   60    62    68    70  -0.29800  1.0 1.0
   60    62    68    70   0.13950 -1.0 2.0
   60    62    68    70  -2.45650  1.0 3.0
   61    60    62    63   0.00000  1.0 1.0
   61    60    62    64   0.00000  1.0 1.0
   61    60    62    68   0.00000  1.0 1.0
   62    68    70    71   3.04450 -1.0 2.0
   62    68    70    72   1.15000  1.0 1.0
   62    68    70    72   3.04450 -1.0 2.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    64    67   0.15000  1.0 3.0
   63    62    68    69   0.00000  1.0 1.0
   63    62    68    70   0.00000  1.0 1.0
   64    62    68    69   0.00000  1.0 1.0
   64    62    68    70   0.25950  1.0 1.0
   64    62    68    70   0.43850 -1.0 2.0
   64    62    68    70   2.61650  1.0 3.0
   68    62    64    65   0.23200  1.0 3.0
   68    62    64    66   0.23200  1.0 3.0
   68    62    64    67   0.23200  1.0 3.0
   68    70    72    73   0.00000  1.0 1.0
   68    70    72    74   0.93250  1.0 1.0
   68    70    72    74   0.04450 -1.0 2.0
   68    70    72    74   0.17550  1.0 3.0
   68    70    72    78   0.37150  1.0 1.0
   68    70    72    78   1.25400 -1.0 2.0
   68    70    72    78  -0.40250  1.0 3.0
   69    68    70    71   2.45000 -1.0 2.0
   69    68    70    72   2.45000 -1.0 2.0
   70    72    74    75  -2.17200  1.0 1.0
   70    72    74    75  -0.85700 -1.0 2.0
   70    72    74    76  -0.03800  1.0 3.0
   70    72    74    77  -0.03800  1.0 3.0
   70    72    78    79   0.17350  1.0 3.0
   70    72    78    80   0.17350  1.0 3.0
   70    72    78    81   0.47100  1.0 1.0
   71    70    72    73   0.00000  1.0 1.0
   71    70    72    74   0.00000  1.0 1.0
   71    70    72    78   0.00000  1.0 1.0
   72    78    81    82   0.15000  1.0 3.0
   72    78    81    83   0.15000  1.0 3.0
   72    78    81    84   0.15000  1.0 3.0
   73    72    74    75   0.15000  1.0 3.0
   73    72    74    76   0.15000  1.0 3.0
   73    72    74    77   0.15000  1.0 3.0
   73    72    78    79   0.13050  1.0 3.0
   73    72    78    80   0.13050  1.0 3.0
   73    72    78    81   0.15000  1.0 3.0
   74    72    78    79   0.17350  1.0 3.0
   74    72    78    80   0.17350  1.0 3.0
   74    72    78    81   0.47100  1.0 1.0
   78    72    74    75   0.71400  1.0 1.0
   78    72    74    75   0.04300 -1.0 2.0
   78    72    74    75   0.01450  1.0 3.0
   78    72    74    76   0.23200  1.0 3.0
   78    72    74    77   0.23200  1.0 3.0
   79    78    81    82   0.13050  1.0 3.0
   79    78    81    83   0.13050  1.0 3.0
   79    78    81    84   0.13050  1.0 3.0
   80    78    81    82   0.13050  1.0 3.0
   80    78    81    83   0.13050  1.0 3.0
   80    78    81    84   0.13050  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
   40    46    42    43  10.50000 -1.0 2.0
   45    50    44    40   1.00000 -1.0 2.0
   44    52    50    51  10.50000 -1.0 2.0
   59    60    58    52   1.00000 -1.0 2.0
   58    62    60    61  10.50000 -1.0 2.0
   69    70    68    62   1.00000 -1.0 2.0
   68    72    70    71  10.50000 -1.0 2.0
END
