* LIGAND DATABASE FILE (OPLS2005)
*
001      84    84    155    229     442
    1     0 S   NP   _N1_     1    29.89778   100.07676   -19.26334
    2     1 S   H    _HN1     2     1.02845    66.72711   146.86166
    3     1 S   H    _H1_     3     1.02843   101.74648  -108.78875
    4     1 S   H    _H2_     4     1.02918    45.36898    -4.77069
    5     1 S   CT   _CA1     5     1.50086   144.61955    53.26026
    6     5 S   HC   _HA1     6     1.09568   105.20560   138.64572
    7     5 S   CO3  _C1_     7     1.53847   112.19991    18.26926
    8     7 S   O2Z  _O11     8     1.26480   115.31172   -52.64712
    9     7 S   O2Z  _O12     9     1.26178   115.00561   126.36386
   10     5 S   CT   _CB1    10     1.53044   107.42394  -103.38070
   11    10 S   HC   HB11    11     1.09842   109.84466   -46.97811
   12    10 S   HC   HB12    12     1.09796   110.27666    69.63697
   13    10 S   CT   _CG1    13     1.53074   112.44538  -167.67181
   14    13 S   HC   HG11    14     1.09443   110.74883   -60.23617
   15    13 S   HC   HG12    15     1.09627   109.66940    58.89262
   16    13 S   C    _CD1    16     1.51757   111.52646  -179.83214
   17    16 S   O    _OE1    17     1.22827   122.73364    21.42617
   18    16 S   N    _N2_    18     1.38623   112.41056  -159.48174
   19    18 S   H    _HN2    19     1.01618   119.35257     2.87303
   20    18 S   CT1  _CA2    20     1.46121   122.92715   178.72099
   21    20 S   HC   _HA2    21     1.09722   108.92662     8.09017
   22    20 S   C    _C2_    22     1.53757   109.35767  -107.52959
   23    22 S   O    _O2_    23     1.23105   122.08480  -154.04189
   24    20 S   CT   _CB2    32     1.53391   112.62782   129.64091
   25    24 S   HC   HB21    33     1.09413   110.65486    68.01952
   26    24 S   HC   HB22    34     1.09604   109.35338  -175.29601
   27    22 S   N    _N3_    24     1.38243   114.12621    33.08210
   28    27 S   H    _HN3    25     1.01526   119.55975    -3.43228
   29    24 S   S    _SG2    35     1.83046   113.22067   -56.57336
   30    27 S   CT   _CA3    26     1.45257   123.33397   177.60927
   31    30 S   HC   HA31    27     1.09546   107.57656   -63.39162
   32    30 S   HC   HA32    28     1.09559   107.92756    53.07617
   33    29 S   CT   _C11    36     1.84690    99.75606   100.76285
   34    33 S   HC   _H4_    37     1.08765   103.57361   -49.47273
   35    30 S   CO3  _C3_    29     1.52983   113.99566   174.98249
   36    35 S   O2Z  _O31    30     1.26395   116.07131    -0.99780
   37    35 S   O2Z  _O32    31     1.26423   114.42481   179.05872
   38    33 S   CM   _C9_    38     1.51441   111.02468    69.06631
   39    33 S   CT   _C12    60     1.54037   111.30419  -164.41789
   40    39 S   HC   _H12    61     1.09835   109.36087  -161.50987
   41    39 S   HC   _H13    62     1.09685   111.33520   -43.94813
   42    38 S   CMA  _C10    39     1.53716   121.62063    51.05304
   43    42 S   OM   _O34    40     1.26438   120.06568  -130.80301
   44    42 S   OM   _O35    41     1.26245   121.53558    51.18793
   45    38 S   N    _N4_    42     1.38652   121.31950  -124.56756
   46    45 S   H    _H11    43     1.01829   113.17033   171.30112
   47    39 S   CT   _C13    63     1.53399   112.02351    79.25012
   48    47 S   HC   _H14    64     1.09702   108.79348    60.42909
   49    47 S   HC   _H15    65     1.09602   110.48772   -56.96601
   50    45 S   C    _C8_    44     1.38202   129.47184    -8.71312
   51    50 S   O    _O33    45     1.22351   128.57034    -6.41503
   52    47 S   CT   _C14    66     1.53081   111.84504  -178.73576
   53    52 S   HC   _H16    67     1.09713   108.96643    66.12307
   54    52 S   HC   _H17    68     1.09722   109.56940   -51.24171
   55    50 S   C3T  _C7_    46     1.48982   111.93451   174.65119
   56    55 S   HC   _H3_    47     1.08712   113.35898    67.53911
   57    52 S   CT   _C15    69     1.52784   110.33490  -172.22014
   58    57 S   HC   _H18    70     1.09330   110.08306   -55.58174
   59    57 S   HC   _H19    71     1.09430   109.34669    63.72979
   60    55 S   C3T  _C6_    48     1.50963   120.56393  -149.56755
   61    60 S   HC   _H9_    49     1.08426   117.54141  -141.37237
   62    60 S   HC   _H10    50     1.08426   118.62992     1.12082
   63    57 S   S    _S1_    72     1.82140   110.27763  -176.42127
   64    55 S   C3T  _C5_    51     1.52340   120.44267   -79.07151
   65    63 S   CT   _C16    73     1.83129    99.78157  -169.71086
   66    65 S   HC   _H20    74     1.09558   106.39303   139.71230
   67    65 S   HC   _H21    75     1.09543   109.56800    25.50430
   68    64 S   CT   _C4_    52     1.50810   119.98708    -3.69215
   69    68 S   HC   _H6_    53     1.09493   110.32438    81.73627
   70    68 S   HC   _H7_    54     1.09515   112.44820   -38.99771
   71    68 S   HC   _H8_    55     1.09516   110.29069  -158.78867
   72    64 S   CT   _C19    56     1.50560   117.21351   141.86005
   73    72 S   HC   _H25    57     1.09495   110.25699   -86.89944
   74    72 S   HC   _H26    58     1.09495   110.41241   153.37945
   75    72 S   HC   _H27    59     1.09541   112.05724    33.23369
   76    65 S   CT   _C17    76     1.53089   114.26019   -99.15703
   77    76 S   HC   _H5_    77     1.09728   108.02948   177.21343
   78    76 S   CO3  _C18    78     1.54157   114.46053   -65.34939
   79    78 S   O2Z  _O37    79     1.26489   114.79436   139.36210
   80    78 S   O2Z  _O36    80     1.26227   115.70443   -42.02420
   81    76 S   NP   _N5_    81     1.49745   109.51395    64.21909
   82    81 S   H    _H22    82     1.02765   110.81818   -65.79693
   83    81 S   H    _H23    83     1.02826   110.37639   176.01606
   84    81 S   H    _H24    84     1.03386   112.31691    55.50620
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  15   7   2   1   1  12  11   5   4   5   2   1   7   3   9   5
   4   9   4   7   5   4  13   6   7   3   2  11   4   3   7   8
  11   5   4   7   3   2   1   3   2   1   1   8   7   6   2   1
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    45    39    40    41    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    44    45    46    50    39    40    41    47    48    49    52  
   38    42    45    39    40    41    47  
   36    37  
   37  
    0  
   42    43    44    45    46    50    51    55    39    40    41    47  
   40    41    47    48    49    52    53    54    57    42    45  
   41    47    48    49    52  
   47    48    49    52  
   43    44    45    46    50  
   44    45  
   45  
   46    50    51    55    56    60    64  
   50    51    55  
   48    49    52    53    54    57    58    59    63  
   49    52    53    54    57  
   52    53    54    57  
   51    55    56    60    61    62    64    68    72  
   55    56    60    64  
   53    54    57    58    59    63    65  
   54    57    58    59    63  
   57    58    59    63  
   56    60    61    62    64    68    69    70    71    72    73    74    75  
   60    61    62    64    68    72  
   58    59    63    65    66    67    76  
   59    63    65  
   63    65  
   61    62    64    68    69    70    71    72    73    74    75  
   62    64    68    72  
   64    68    72  
   65    66    67    76    77    78    81  
   68    69    70    71    72    73    74    75  
   66    67    76    77    78    79    80    81    82    83    84  
   67    76    77    78    81  
   76    77    78    81  
   69    70    71    72    73    74    75  
   70    71    72  
   71    72  
   72  
   73    74    75  
   74    75  
   75  
    0  
   77    78    79    80    81    82    83    84  
   78    79    80    81    82    83    84  
   79    80    81    82    83    84  
   80    81  
   81  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   46   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   79   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   80   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   81   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   82   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   83   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   84   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   465.000  1.376
   38    45   400.000  1.384
   42    43   745.000  1.250
   42    44   745.000  1.250
   45    46   434.000  1.010
   45    50   490.000  1.335
   50    51   570.000  1.229
   50    55   295.000  1.481
   55    56   340.000  1.088
   55    60   260.000  1.509
   55    64   260.000  1.509
   60    61   340.000  1.088
   60    62   340.000  1.088
   60    64   260.000  1.509
   64    68   275.000  1.510
   64    72   275.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   222.000  1.810
   63    65   222.000  1.810
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    76   268.000  1.529
   76    77   340.000  1.090
   76    78   317.000  1.522
   76    81   367.000  1.471
   78    79   656.000  1.250
   78    80   656.000  1.250
   81    82   434.000  1.010
   81    83   434.000  1.010
   81    84   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  124.00000
   33    38    45    70.00000  113.82800
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    47    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    44    65.00000  137.10300
   38    45    46    45.00000  117.55000
   38    45    50    70.00000  120.89900
   44    42    43    65.00000  121.00000
   45    38    42    75.00000  120.83300
   45    50    51    80.00000  122.90000
   45    50    55    75.00000  114.51300
   50    45    46    35.00000  119.80000
   50    55    56    40.00000  115.44000
   50    55    60    65.00000  116.19300
   50    55    64    65.00000  116.19300
   55    50    51    75.00000  122.66600
   55    60    61    37.50000  117.20000
   55    60    62    37.50000  117.20000
   55    60    64    10.00000   60.00500
   55    64    60    10.00000   60.00500
   55    64    68    60.00000  120.94000
   55    64    72    60.00000  120.94000
   60    55    56    37.50000  117.20000
   60    64    68    60.00000  120.94000
   60    64    72    60.00000  120.94000
   62    60    61    35.00000  114.30000
   64    55    56    37.50000  117.20000
   64    55    60    10.00000   60.00500
   64    60    61    37.50000  117.20000
   64    60    62    37.50000  117.20000
   64    68    69    45.00000  109.38400
   64    68    70    45.00000  109.38400
   64    68    71    45.00000  109.38400
   64    72    73    45.00000  109.38400
   64    72    74    45.00000  109.38400
   64    72    75    45.00000  109.38400
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    64    68    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    47    48    37.50000  110.70000
   39    47    49    37.50000  110.70000
   39    47    52    58.35000  112.70000
   41    39    40    33.00000  107.80000
   47    39    40    37.50000  110.70000
   47    39    41    37.50000  110.70000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    57    58.35000  112.70000
   49    47    48    33.00000  107.80000
   52    47    48    37.50000  110.70000
   52    47    49    37.50000  110.70000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    63    75.00000  111.63000
   54    52    53    33.00000  107.80000
   57    52    53    37.50000  110.70000
   57    52    54    37.50000  110.70000
   57    63    65    62.00000   98.90000
   59    57    58    33.00000  107.80000
   63    57    58    35.00000  109.50000
   63    57    59    35.00000  109.50000
   63    65    66    35.00000  109.50000
   63    65    67    35.00000  109.50000
   63    65    76    75.00000  111.63000
   65    76    77    37.50000  110.70000
   65    76    78    70.00000  109.69300
   65    76    81    80.00000  111.20000
   67    65    66    33.00000  107.80000
   76    65    66    37.50000  110.70000
   76    65    67    37.50000  110.70000
   76    78    79    70.00000  117.00000
   76    78    80    70.00000  117.00000
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   76    81    84    35.00000  109.50000
   78    76    77    35.00000  109.50000
   80    78    79    80.00000  126.00000
   81    76    77    35.00000  109.50000
   81    76    78    80.00000  109.26000
   83    81    82    35.00000  109.50000
   84    81    82    35.00000  109.50000
   84    81    83    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    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    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    38    45   0.09700  1.0 1.0
   29    33    38    45   0.15600 -1.0 2.0
   29    33    38    45  -0.50800  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    47   0.44750  1.0 1.0
   29    33    39    47  -0.17800 -1.0 2.0
   29    33    39    47   0.20200  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    44   7.00000 -1.0 2.0
   33    38    45    46   2.40850 -1.0 2.0
   33    38    45    50  -0.45200  1.0 1.0
   33    38    45    50   0.85900 -1.0 2.0
   33    38    45    50   0.16650  1.0 3.0
   33    39    47    48   0.15000  1.0 3.0
   33    39    47    49   0.15000  1.0 3.0
   33    39    47    52   0.56750  1.0 1.0
   33    39    47    52  -0.07550 -1.0 2.0
   33    39    47    52   0.20000  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    45  -0.18050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    47   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    47   0.34400  1.0 1.0
   38    33    39    47   0.09450 -1.0 2.0
   38    33    39    47   0.11100  1.0 3.0
   38    45    50    51   2.67200 -1.0 2.0
   38    45    50    55   0.67100  1.0 1.0
   38    45    50    55   1.42150 -1.0 2.0
   38    45    50    55   0.18700  1.0 3.0
   42    38    45    46   0.78350 -1.0 2.0
   42    38    45    50  -0.18900  1.0 1.0
   42    38    45    50   1.70900 -1.0 2.0
   45    38    42    43   7.00000 -1.0 2.0
   45    38    42    44   7.00000 -1.0 2.0
   45    50    55    56   0.00000  1.0 1.0
   45    50    55    60   1.39750  1.0 1.0
   45    50    55    60  -0.07950 -1.0 2.0
   45    50    55    60  -0.18750  1.0 3.0
   45    50    55    64   1.39750  1.0 1.0
   45    50    55    64  -0.07950 -1.0 2.0
   45    50    55    64  -0.18750  1.0 3.0
   46    45    50    51   2.45000 -1.0 2.0
   46    45    50    55   2.45000 -1.0 2.0
   50    55    60    61  -0.11250  1.0 3.0
   50    55    60    62  -0.11250  1.0 3.0
   50    55   -60    64  -0.95700  1.0 1.0
   50    55   -60    64  -0.18200 -1.0 2.0
   50    55   -60    64   0.29450  1.0 3.0
   50    55   -64    60  -0.95700  1.0 1.0
   50    55   -64    60  -0.18200 -1.0 2.0
   50    55   -64    60   0.29450  1.0 3.0
   50    55    64    68  -0.95700  1.0 1.0
   50    55    64    68  -0.18200 -1.0 2.0
   50    55    64    68   0.29450  1.0 3.0
   50    55    64    72  -0.95700  1.0 1.0
   50    55    64    72  -0.18200 -1.0 2.0
   50    55    64    72   0.29450  1.0 3.0
   51    50    55    56   0.50000  1.0 3.0
   51    50    55    60   0.30150 -1.0 2.0
   51    50    55    64   0.30150 -1.0 2.0
   55    60   -64    68   0.07850  1.0 1.0
   55    60   -64    68  -0.03950 -1.0 2.0
   55    60   -64    68   0.67350  1.0 3.0
   55    60   -64    72   0.07850  1.0 1.0
   55    60   -64    72  -0.03950 -1.0 2.0
   55    60   -64    72   0.67350  1.0 3.0
   55    64    68    69   0.15000  1.0 3.0
   55    64    68    70   0.15000  1.0 3.0
   55    64    68    71   0.15000  1.0 3.0
   55    64    72    73   0.15000  1.0 3.0
   55    64    72    74   0.15000  1.0 3.0
   55    64    72    75   0.15000  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55   -60    64   0.15000  1.0 3.0
   56    55   -64    60   0.15000  1.0 3.0
   56    55    64    68   0.15000  1.0 3.0
   56    55    64    72   0.15000  1.0 3.0
   60    55   -64    68   0.07850  1.0 1.0
   60    55   -64    68  -0.03950 -1.0 2.0
   60    55   -64    68   0.67350  1.0 3.0
   60    55   -64    72   0.07850  1.0 1.0
   60    55   -64    72  -0.03950 -1.0 2.0
   60    55   -64    72   0.67350  1.0 3.0
   60    64    68    69   0.15000  1.0 3.0
   60    64    68    70   0.15000  1.0 3.0
   60    64    68    71   0.15000  1.0 3.0
   60    64    72    73   0.15000  1.0 3.0
   60    64    72    74   0.15000  1.0 3.0
   60    64    72    75   0.15000  1.0 3.0
   61    60   -64    55   0.15000  1.0 3.0
   61    60    64    68   0.15000  1.0 3.0
   61    60    64    72   0.15000  1.0 3.0
   62    60   -64    55   0.15000  1.0 3.0
   62    60    64    68   0.15000  1.0 3.0
   62    60    64    72   0.15000  1.0 3.0
   64    55   -60    61   0.15000  1.0 3.0
   64    55   -60    62   0.15000  1.0 3.0
   68    64    72    73   0.15000  1.0 3.0
   68    64    72    74   0.15000  1.0 3.0
   68    64    72    75   0.15000  1.0 3.0
   72    64    68    69   0.15000  1.0 3.0
   72    64    68    70   0.15000  1.0 3.0
   72    64    68    71   0.15000  1.0 3.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    33    38    45  -0.93550  1.0 1.0
   39    33    38    45   0.38900 -1.0 2.0
   39    33    38    45   0.16950  1.0 3.0
   39    47    52    53   0.15000  1.0 3.0
   39    47    52    54   0.15000  1.0 3.0
   39    47    52    57   0.56750  1.0 1.0
   39    47    52    57  -0.07550 -1.0 2.0
   39    47    52    57   0.20000  1.0 3.0
   40    39    47    48   0.15000  1.0 3.0
   40    39    47    49   0.15000  1.0 3.0
   40    39    47    52   0.15000  1.0 3.0
   41    39    47    48   0.15000  1.0 3.0
   41    39    47    49   0.15000  1.0 3.0
   41    39    47    52   0.15000  1.0 3.0
   47    52    57    58   0.15000  1.0 3.0
   47    52    57    59   0.15000  1.0 3.0
   47    52    57    63   0.44750  1.0 1.0
   47    52    57    63  -0.17800 -1.0 2.0
   47    52    57    63   0.20200  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    54   0.15000  1.0 3.0
   48    47    52    57   0.15000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    54   0.15000  1.0 3.0
   49    47    52    57   0.15000  1.0 3.0
   52    57    63    65   0.01700  1.0 1.0
   52    57    63    65  -0.23550 -1.0 2.0
   52    57    63    65   0.21350  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    59   0.15000  1.0 3.0
   53    52    57    63   0.15000  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    59   0.15000  1.0 3.0
   54    52    57    63   0.15000  1.0 3.0
   57    63    65    66   0.32350  1.0 3.0
   57    63    65    67   0.32350  1.0 3.0
   57    63    65    76   0.01700  1.0 1.0
   57    63    65    76  -0.23550 -1.0 2.0
   57    63    65    76   0.21350  1.0 3.0
   58    57    63    65   0.32350  1.0 3.0
   59    57    63    65   0.32350  1.0 3.0
   63    65    76    77   0.15000  1.0 3.0
   63    65    76    78   0.56750  1.0 1.0
   63    65    76    78  -0.07550 -1.0 2.0
   63    65    76    78   0.20000  1.0 3.0
   63    65    76    81   0.56750  1.0 1.0
   63    65    76    81  -0.07550 -1.0 2.0
   63    65    76    81   0.20000  1.0 3.0
   65    76    78    79   0.41150 -1.0 2.0
   65    76    78    80   0.41150 -1.0 2.0
   65    76    81    82   0.17350  1.0 3.0
   65    76    81    83   0.17350  1.0 3.0
   65    76    81    84   0.17350  1.0 3.0
   66    65    76    77   0.15000  1.0 3.0
   66    65    76    78  -0.11250  1.0 3.0
   66    65    76    81   0.19200  1.0 3.0
   67    65    76    77   0.15000  1.0 3.0
   67    65    76    78  -0.11250  1.0 3.0
   67    65    76    81   0.19200  1.0 3.0
   77    76    78    79   0.00000  1.0 1.0
   77    76    78    80   0.00000  1.0 1.0
   77    76    81    82   0.13050  1.0 3.0
   77    76    81    83   0.13050  1.0 3.0
   77    76    81    84   0.13050  1.0 3.0
   78    76    81    82   0.17350  1.0 3.0
   78    76    81    83   0.17350  1.0 3.0
   78    76    81    84   0.17350  1.0 3.0
   81    76    78    79   0.30150 -1.0 2.0
   81    76    78    80   0.30150 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    45    38    42  15.00000 -1.0 2.0
   43    44    42    38  15.00000 -1.0 2.0
   46    50    45    38   1.00000 -1.0 2.0
   45    55    50    51  10.50000 -1.0 2.0
   79    76    78    80  10.50000 -1.0 2.0
END
