* LIGAND DATABASE FILE (OPLS2005)
*
001      82    81    145    204     419
    1     0 S   NP   _N1_     1    28.66602    95.18539   -23.16403
    2     1 S   H    _HN1     2     1.02778   100.48375   -76.33899
    3     1 S   H    _H1_     3     1.02959    79.20943    30.54377
    4     1 S   H    _H2_     4     1.02835    33.32002   176.93925
    5     1 S   CT   _CA1     5     1.50126   139.60658   139.37744
    6     5 S   HC   _HA1     6     1.09576   105.21424    80.11072
    7     5 S   CO3  _C1_     7     1.53775   112.42373   -40.05645
    8     7 S   O2Z  _O11     8     1.26358   114.99840   -43.01527
    9     7 S   O2Z  _O12     9     1.26242   114.91776   136.14437
   10     5 S   CT   _CB1    10     1.53095   107.42351  -162.00287
   11    10 S   HC   HB11    11     1.09825   109.27496   -50.96353
   12    10 S   HC   HB12    12     1.09817   110.43218    65.57088
   13    10 S   CT   _CG1    13     1.53011   112.70137  -172.08066
   14    13 S   HC   HG11    14     1.09595   110.44957   -64.87982
   15    13 S   HC   HG12    15     1.09659   109.95857    54.33634
   16    13 S   C    _CD1    16     1.51829   112.34650   174.64789
   17    16 S   O    _OE1    17     1.22718   123.26585    -1.02048
   18    16 S   N    _N2_    18     1.38638   111.61556   179.26219
   19    18 S   H    _HN2    19     1.01578   119.03338     1.00191
   20    18 S   CT1  _CA2    20     1.46141   123.37307   179.17885
   21    20 S   HC   _HA2    21     1.09700   109.47340    -3.77761
   22    20 S   C    _C2_    22     1.53635   109.07039  -119.87441
   23    22 S   O    _O2_    23     1.23085   121.87044  -152.12529
   24    20 S   CT   _CB2    32     1.53556   111.50936   118.44416
   25    24 S   HC   HB21    33     1.09469   108.84708    56.60250
   26    24 S   HC   HB22    34     1.09299   109.63302   175.08370
   27    22 S   N    _N3_    24     1.38366   114.08644    34.94613
   28    27 S   H    _HN3    25     1.01478   119.01970     0.65879
   29    24 S   S    _SG2    35     1.82937   112.23805   -63.95372
   30    27 S   CT   _CA3    26     1.45445   123.14638   176.88398
   31    30 S   HC   HA31    27     1.09501   108.82799    31.18857
   32    30 S   HC   HA32    28     1.09487   107.17273   148.01215
   33    29 S   CT   _C19    36     1.88143   102.09241  -172.15227
   34    30 S   CO3  _C3_    29     1.52899   113.58291   -92.10545
   35    34 S   O2Z  _O31    30     1.26380   115.54275   -41.01829
   36    34 S   O2Z  _O32    31     1.26388   114.88124   140.05373
   37    33 S   CT   _C11    37     1.54237   104.66578  -173.07601
   38    37 S   HC   _H30    38     1.09607   112.10462    64.25819
   39    37 S   HC   _H31    39     1.09667   112.16341   -56.86530
   40    37 S   HC   _H32    40     1.09568   110.92073  -175.86507
   41    33 S   CT   _C17    41     1.54698   109.35186    69.61315
   42    41 S   HC   _H44    42     1.09440   110.60778   173.68907
   43    41 S   HC   _H45    43     1.09439   111.82068   -66.70978
   44    33 S   CT   _C18    46     1.56185   110.30731   -53.21963
   45    44 S   HC   _H46    47     1.09345   108.22111    60.82369
   46    41 S   OH   _O18    44     1.42428   111.89018    55.34089
   47    46 S   HO   _H47    45     0.97236   107.15963  -179.23077
   48    44 S   CT   _C16    48     1.54455   115.21567  -178.25864
   49    48 S   HC   _H42    49     1.09668   109.54867    66.38047
   50    48 S   HC   _H43    50     1.09393   110.63041   -51.42384
   51    44 S   OH   _O19    81     1.43078   109.33603   -56.38606
   52    51 S   HO   _H48    82     0.97131   107.95380   163.18969
   53    48 S   CT   _C15    51     1.54280   114.06026  -173.75955
   54    53 S   HC   _H40    52     1.09760   108.84871   177.93029
   55    53 S   HC   _H41    53     1.09731   109.02304   -67.75552
   56    53 S   CM   _C7_    54     1.51850   113.95999    56.45188
   57    56 S   CM   _C5_    55     1.34783   119.87514  -110.01538
   58    57 S   HC   _H23    56     1.08948   118.13595    -1.08858
   59    56 S   CT   _C10    77     1.50425   115.33548    68.66367
   60    59 S   HC   _H27    78     1.09453   110.47711   -63.13145
   61    59 S   HC   _H28    79     1.09173   113.57959   176.60270
   62    59 S   HC   _H29    80     1.09507   110.02264    56.51312
   63    57 S   CT   _C13    57     1.50341   128.05663   176.38925
   64    63 S   HC   _H36    58     1.09699   107.95473   138.88214
   65    63 S   HC   _H37    59     1.09402   112.11554    22.68815
   66    63 S   CT   _C14    60     1.53340   110.08530  -100.55204
   67    66 S   HC   _H38    61     1.09833   110.19716   -58.42278
   68    66 S   HC   _H39    62     1.09873   108.96504    56.84782
   69    66 S   CM   _C6_    63     1.51705   112.93983   179.67076
   70    69 S   CM   _C4_    64     1.34632   119.36284  -112.50635
   71    70 S   HC   _H22    65     1.08776   119.39449     0.06853
   72    69 S   CT   _C9_    73     1.50439   115.10937    69.83977
   73    72 S   HC   _H24    74     1.09428   110.34053   -83.22693
   74    72 S   HC   _H25    75     1.09230   113.08998   154.70503
   75    72 S   HC   _H26    76     1.09571   110.38467    36.30119
   76    70 S   CO4  _C8_    66     1.48216   125.69048   179.64778
   77    76 S   O    _O17    67     1.21937   126.14571   -18.62613
   78    76 S   OS   _O20    68     1.36036   107.14559   161.72963
   79    78 S   CT   _C12    69     1.43038   115.36190  -178.34767
   80    79 S   HC   _H33    70     1.09325   108.11985  -179.70525
   81    79 S   HC   _H34    71     1.09422   110.22283    61.60963
   82    79 S   HC   _H35    72     1.09421   110.32535   -60.97863
  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  13   5   4   3
  17   2   1   1  11   4   3   2   8   4   3  11   6   1   1  10
   6   5   2   1  10   4   3  10  12   5   4   2   1   1   8   5
   4  10   4   3   9   9   4   4   2   1   1   6   2   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    41    44    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    46    44    45    48    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    46    47    44    45    48    49    50    53    51    52  
   35    36  
   36  
    0  
   38    39    40    41    42    43    46    44    45    48    51  
   39    40    41    44  
   40    41    44  
   41    44  
   42    43    46    47    44    45    48    51  
   43    46    47    44  
   46    47    44  
   45    48    49    50    53    54    55    56    51    52    46  
   48    49    50    53    51    52  
   47  
    0  
   49    50    53    54    55    56    57    59    51    52  
   50    53    54    55    56    51  
   53    54    55    56    51  
   52    53  
    0  
   54    55    56    57    58    63    59    60    61    62  
   55    56    57    59  
   56    57    59  
   57    58    63    64    65    66    59    60    61    62  
   58    63    64    65    66    67    68    69    59    60    61    62  
   63    64    65    66    59  
   60    61    62    63  
   61    62  
   62  
    0  
   64    65    66    67    68    69    70    72  
   65    66    67    68    69  
   66    67    68    69  
   67    68    69    70    71    76    72    73    74    75  
   68    69    70    72  
   69    70    72  
   70    71    76    77    78    72    73    74    75  
   71    76    77    78    79    72    73    74    75  
   76    77    78    72  
   73    74    75    76  
   74    75  
   75  
    0  
   77    78    79    80    81    82  
   78    79  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.145000   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   79   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.030000   1.3810   1.2100   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   222.000  1.810
   33    37   268.000  1.529
   33    41   268.000  1.529
   33    44   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   320.000  1.410
   46    47   553.000  0.945
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    51   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   317.000  1.510
   56    57   549.000  1.340
   56    59   317.000  1.510
   57    58   340.000  1.080
   57    63   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   317.000  1.510
   69    70   549.000  1.340
   69    72   317.000  1.510
   70    71   340.000  1.080
   70    76   320.000  1.462
   76    77   570.000  1.229
   76    78   214.000  1.327
   78    79   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   51    52   553.000  0.945
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    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    37    75.00000  111.63000
   29    33    41    75.00000  111.63000
   29    33    44    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    46    50.00000  109.50000
   33    44    45    37.50000  110.70000
   33    44    48    58.35000  112.70000
   33    44    51    50.00000  109.50000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    58.35000  112.70000
   41    46    47    55.00000  108.50000
   43    41    42    33.00000  107.80000
   46    41    42    35.00000  109.50000
   46    41    43    35.00000  109.50000
   44    33    37    58.35000  112.70000
   44    33    41    58.35000  112.70000
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   44    48    53    58.35000  112.70000
   44    51    52    55.00000  108.50000
   48    44    45    37.50000  110.70000
   48    53    54    37.50000  110.70000
   48    53    55    37.50000  110.70000
   48    53    56    70.00000  112.02700
   50    48    49    33.00000  107.80000
   53    48    49    37.50000  110.70000
   53    48    50    37.50000  110.70000
   53    56    57    70.00000  124.00000
   53    56    59    65.00000  117.92700
   55    53    54    33.00000  107.80000
   56    53    54    35.00000  109.50000
   56    53    55    35.00000  109.50000
   56    57    58    35.00000  120.00000
   56    57    63    70.00000  124.00000
   56    59    60    35.00000  109.50000
   56    59    61    35.00000  109.50000
   56    59    62    35.00000  109.50000
   57    63    64    35.00000  109.50000
   57    63    65    35.00000  109.50000
   57    63    66    70.00000  112.02700
   63    57    58    35.00000  117.00000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    70.00000  112.02700
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    70.00000  124.00000
   66    69    72    65.00000  117.92700
   68    66    67    33.00000  107.80000
   69    66    67    35.00000  109.50000
   69    66    68    35.00000  109.50000
   69    70    71    35.00000  120.00000
   69    70    76    65.00000  118.96000
   69    72    73    35.00000  109.50000
   69    72    74    35.00000  109.50000
   69    72    75    35.00000  109.50000
   70    76    77    80.00000  123.72100
   70    76    78    90.00000  111.29400
   76    70    71    40.00000  117.72500
   76    78    79    83.00000  116.90000
   78    76    77    83.00000  123.40000
   78    79    80    35.00000  109.50000
   78    79    81    35.00000  109.50000
   78    79    82    35.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   72    69    70    70.00000  124.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   59    56    57    70.00000  124.00000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   51    44    45    35.00000  109.50000
   51    44    48    50.00000  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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   24    29    33    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    40   0.15000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    46   0.56750  1.0 1.0
   29    33    41    46  -0.07550 -1.0 2.0
   29    33    41    46   0.20000  1.0 3.0
   29    33    44    45   0.15000  1.0 3.0
   29    33    44    48   0.44750  1.0 1.0
   29    33    44    48  -0.17800 -1.0 2.0
   29    33    44    48   0.20200  1.0 3.0
   29    33    44    51   0.56750  1.0 1.0
   29    33    44    51  -0.07550 -1.0 2.0
   29    33    44    51   0.20000  1.0 3.0
   33    41    46    47  -0.11600  1.0 1.0
   33    41    46    47  -0.09450 -1.0 2.0
   33    41    46    47   0.21250  1.0 3.0
   33    44    48    49   0.15000  1.0 3.0
   33    44    48    50   0.15000  1.0 3.0
   33    44    48    53   0.56750  1.0 1.0
   33    44    48    53  -0.07550 -1.0 2.0
   33    44    48    53   0.20000  1.0 3.0
   33    44    51    52  -0.11600  1.0 1.0
   33    44    51    52  -0.09450 -1.0 2.0
   33    44    51    52   0.21250  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    46   0.86500  1.0 1.0
   37    33    41    46  -0.17500 -1.0 2.0
   37    33    41    46   0.20800  1.0 3.0
   37    33    44    45   0.15000  1.0 3.0
   37    33    44    48   0.56750  1.0 1.0
   37    33    44    48  -0.07550 -1.0 2.0
   37    33    44    48   0.20000  1.0 3.0
   37    33    44    51   0.86500  1.0 1.0
   37    33    44    51  -0.17500 -1.0 2.0
   37    33    44    51   0.20800  1.0 3.0
   41    33    37    38   0.15000  1.0 3.0
   41    33    37    39   0.15000  1.0 3.0
   41    33    37    40   0.15000  1.0 3.0
   41    33    44    45   0.15000  1.0 3.0
   41    33    44    48   0.56750  1.0 1.0
   41    33    44    48  -0.07550 -1.0 2.0
   41    33    44    48   0.20000  1.0 3.0
   41    33    44    51   0.86500  1.0 1.0
   41    33    44    51  -0.17500 -1.0 2.0
   41    33    44    51   0.20800  1.0 3.0
   42    41    46    47   0.19450  1.0 3.0
   43    41    46    47   0.19450  1.0 3.0
   44    33    37    38   0.15000  1.0 3.0
   44    33    37    39   0.15000  1.0 3.0
   44    33    37    40   0.15000  1.0 3.0
   44    33    41    42   0.15000  1.0 3.0
   44    33    41    43   0.15000  1.0 3.0
   44    33    41    46   0.86500  1.0 1.0
   44    33    41    46  -0.17500 -1.0 2.0
   44    33    41    46   0.20800  1.0 3.0
   44    48    53    54   0.15000  1.0 3.0
   44    48    53    55   0.15000  1.0 3.0
   44    48    53    56   0.34400  1.0 1.0
   44    48    53    56   0.09450 -1.0 2.0
   44    48    53    56   0.11100  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    50   0.15000  1.0 3.0
   45    44    48    53   0.15000  1.0 3.0
   45    44    51    52   0.19450  1.0 3.0
   48    44    51    52  -0.11600  1.0 1.0
   48    44    51    52  -0.09450 -1.0 2.0
   48    44    51    52   0.21250  1.0 3.0
   48    53    56    57   0.09850  1.0 1.0
   48    53    56    57   0.15250 -1.0 2.0
   48    53    56    57  -0.50650  1.0 3.0
   48    53    56    59   0.46850  1.0 1.0
   48    53    56    59   0.08550 -1.0 2.0
   48    53    56    59   0.09800  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    55   0.15000  1.0 3.0
   49    48    53    56   0.15000  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    55   0.15000  1.0 3.0
   50    48    53    56   0.15000  1.0 3.0
   53    56    57    58   7.00000 -1.0 2.0
   53    56    57    63   7.00000 -1.0 2.0
   53    56    59    60   0.34800  1.0 3.0
   53    56    59    61   0.34800  1.0 3.0
   53    56    59    62   0.34800  1.0 3.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    59   0.34800  1.0 3.0
   55    53    56    57   0.00000  1.0 1.0
   55    53    56    59   0.34800  1.0 3.0
   56    57    63    64   0.00000  1.0 1.0
   56    57    63    65   0.00000  1.0 1.0
   56    57    63    66   0.09850  1.0 1.0
   56    57    63    66   0.15250 -1.0 2.0
   56    57    63    66  -0.50650  1.0 3.0
   57    56    59    60   0.00000  1.0 1.0
   57    56    59    61   0.00000  1.0 1.0
   57    56    59    62   0.00000  1.0 1.0
   57    63    66    67   0.15000  1.0 3.0
   57    63    66    68   0.15000  1.0 3.0
   57    63    66    69   0.31000  1.0 1.0
   57    63    66    69   0.14700 -1.0 2.0
   57    63    66    69   0.07550  1.0 3.0
   58    57    63    64   0.33100  1.0 3.0
   58    57    63    65   0.33100  1.0 3.0
   58    57    63    66   0.00000  1.0 1.0
   63    66    69    70   0.09850  1.0 1.0
   63    66    69    70   0.15250 -1.0 2.0
   63    66    69    70  -0.50650  1.0 3.0
   63    66    69    72   0.46850  1.0 1.0
   63    66    69    72   0.08550 -1.0 2.0
   63    66    69    72   0.09800  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69   0.15000  1.0 3.0
   66    69    70    71   7.00000 -1.0 2.0
   66    69    70    76   7.00000 -1.0 2.0
   66    69    72    73   0.34800  1.0 3.0
   66    69    72    74   0.34800  1.0 3.0
   66    69    72    75   0.34800  1.0 3.0
   67    66    69    70   0.00000  1.0 1.0
   67    66    69    72   0.34800  1.0 3.0
   68    66    69    70   0.00000  1.0 1.0
   68    66    69    72   0.34800  1.0 3.0
   69    70    76    77   1.00000 -1.0 2.0
   69    70    76    78  -0.56150  1.0 1.0
   69    70    76    78   2.19150 -1.0 2.0
   70    69    72    73   0.00000  1.0 1.0
   70    69    72    74   0.00000  1.0 1.0
   70    69    72    75   0.00000  1.0 1.0
   70    76    78    79   2.00000 -1.0 2.0
   71    70    76    77   0.00000  1.0 1.0
   71    70    76    78   1.63100 -1.0 2.0
   76    78    79    80   0.08050  1.0 3.0
   76    78    79    81   0.08050  1.0 3.0
   76    78    79    82   0.08050  1.0 3.0
   77    76    78    79   3.00000 -1.0 2.0
   72    69    70    71   7.00000 -1.0 2.0
   72    69    70    76   7.00000 -1.0 2.0
   59    56    57    58   7.00000 -1.0 2.0
   59    56    57    63   7.00000 -1.0 2.0
   51    44    48    49   0.23400  1.0 3.0
   51    44    48    50   0.23400  1.0 3.0
   51    44    48    53   0.86500  1.0 1.0
   51    44    48    53  -0.17500 -1.0 2.0
   51    44    48    53   0.20800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   53    59    56    57  15.00000 -1.0 2.0
   63    58    57    56  15.00000 -1.0 2.0
   66    72    69    70  15.00000 -1.0 2.0
   76    71    70    69  15.00000 -1.0 2.0
   70    78    76    77  10.50000 -1.0 2.0
END
