* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    160    241     470
    1     0 S   NP   _N1_     1    28.68230    94.83879   -21.77543
    2     1 S   H    _HN1     2     1.02830    33.84562   149.76705
    3     1 S   H    _H1_     3     1.02782    92.58380   -91.24998
    4     1 S   H    _H2_     4     1.02951    84.26450    16.93609
    5     1 S   CT   _CA1     5     1.50087   143.83629   134.11222
    6     5 S   HC   _HA1     6     1.09575   105.23502    68.39877
    7     5 S   CO3  _C1_     7     1.53813   112.44413   -51.85802
    8     7 S   O2Z  _O11     8     1.26364   115.00636   -43.93242
    9     7 S   O2Z  _O12     9     1.26242   114.93149   135.28313
   10     5 S   CT   _CB1    10     1.53094   107.44443  -173.65078
   11    10 S   HC   HB11    11     1.09822   109.44357   -50.62068
   12    10 S   HC   HB12    12     1.09815   110.42059    66.02460
   13    10 S   CT   _CG1    13     1.52936   112.50054  -171.65788
   14    13 S   HC   HG11    14     1.09539   110.36305   -63.91631
   15    13 S   HC   HG12    15     1.09657   109.93560    55.27351
   16    13 S   C    _CD1    16     1.51752   112.44473   175.92350
   17    16 S   O    _OE1    17     1.22713   123.31225     2.56269
   18    16 S   N    _N2_    18     1.38616   111.52426  -177.60461
   19    18 S   H    _HN2    19     1.01576   119.00523     2.27924
   20    18 S   CT1  _CA2    20     1.46283   123.54230   179.73830
   21    20 S   HC   _HA2    21     1.09731   109.36887    -0.54787
   22    20 S   C    _C2_    22     1.53500   108.73941  -116.14015
   23    22 S   O    _O2_    23     1.23046   122.35239  -149.86079
   24    20 S   CT   _CB2    32     1.53359   111.15755   121.40122
   25    24 S   HC   HB21    33     1.09534   109.46887    56.75480
   26    24 S   HC   HB22    34     1.09463   110.40739   175.40761
   27    22 S   N    _N3_    24     1.38357   113.66539    37.69723
   28    27 S   H    _HN3    25     1.01597   119.49601    -3.59575
   29    24 S   S    _SG2    35     1.83037   110.95596   -65.24680
   30    27 S   CT   _CA3    26     1.45272   123.18370   177.05131
   31    30 S   HC   HA31    27     1.09550   107.51163   -64.41600
   32    30 S   HC   HA32    28     1.09557   107.98001    52.01308
   33    29 S   CT   _C12    36     1.86734   100.51798   145.48013
   34    33 S   HC   _H4_    37     1.09237   104.64372   -33.56681
   35    30 S   CO3  _C3_    29     1.52943   114.10099   173.99750
   36    35 S   O2Z  _O31    30     1.26373   116.06658    -1.02412
   37    35 S   O2Z  _O32    31     1.26431   114.40947   179.04346
   38    33 S   CT   _C13    38     1.54954   105.63220  -147.44182
   39    38 S   HC   _H17    39     1.10050   110.43222   -38.73715
   40    38 S   HC   _H18    40     1.08825   111.97739  -151.05167
   41    33 S   CT   _C11    62     1.58134   115.65456    86.99640
   42    41 S   OM   _O38    63     1.32440   110.36058   -58.35362
   43    38 S   CT   _C14    41     1.54307   114.86588    83.92897
   44    43 S   HC   _H5_    42     1.09771   106.78555   -68.31819
   45    41 S   CT   _C23    64     1.54722   111.75807    60.92563
   46    45 S   HC   _H26    65     1.09698   112.76850   -60.40000
   47    45 S   HC   _H27    66     1.09881   111.78454   179.40785
   48    45 S   HC   _H28    67     1.09587   111.20934    60.31604
   49    43 S   CM   _C15    43     1.52272   119.88440    54.59505
   50    43 S   OH   _O37    86     1.43118   108.66309   177.91945
   51    50 S   HO   _H25    87     0.97227   107.45858    58.41971
   52    49 S   CM   _C16    44     1.35055   128.49556    44.51200
   53    52 S   HC   _H19    45     1.09047   117.41940   179.25140
   54    49 S   CT   _C22    82     1.51243   113.14156  -137.16183
   55    54 S   HC   _H22    83     1.09502   110.25560   -55.97318
   56    54 S   HC   _H23    84     1.09507   112.75807  -176.06329
   57    54 S   HC   _H24    85     1.09479   110.01370    63.95075
   58    52 S   CT   _C17    46     1.49878   129.22196     0.24549
   59    58 S   HC   _H6_    47     1.08821   111.29470     8.54755
   60    58 S   CT   _C18    48     1.52857   113.80552  -120.58021
   61    60 S   HC   _H7_    49     1.10127   109.03176   -49.42989
   62    60 S   CM   _C19    50     1.49398    98.11568  -158.29187
   63    60 S   CT   _C9_    57     1.54086   115.39742    71.31395
   64    63 S   HC   _H3_    58     1.09257   107.24869   -62.14455
   65    62 S   CO4  _C21    51     1.48523   106.82628    31.60764
   66    65 S   O    _O35    52     1.21716   127.18449   165.38792
   67    62 S   CM   _C20    54     1.33484   131.46320  -146.72122
   68    67 S   HC   _H20    55     1.08389   121.47248    -0.88337
   69    67 S   HC   _H21    56     1.08532   121.49319   179.03247
   70    63 S   CT   _C10    59     1.55011   115.80925    61.08278
   71    70 S   HC   _H15    60     1.09425   110.17993    -8.41132
   72    70 S   HC   _H16    61     1.10178   108.70496   105.30858
   73    63 S   OS   _O34    68     1.45303   108.99045  -177.81376
   74    58 S   OS   _O36    53     1.44393   109.85741   123.82589
   75    73 S   CO4  _C8_    69     1.35838   117.84825    84.57196
   76    75 S   O    _O33    70     1.22144   127.07346    -2.27099
   77    75 S   CM   _C6_    71     1.48441   108.56045   178.59500
   78    77 S   CM   _C5_    72     1.34471   120.40364  -134.45250
   79    78 S   HC   _H11    73     1.08910   117.84664  -177.78018
   80    77 S   CT   _C7_    78     1.49958   116.95640    47.77147
   81    80 S   HC   _H12    79     1.09476   110.66596   -71.28766
   82    80 S   HC   _H13    80     1.09517   110.44976    48.94447
   83    80 S   HC   _H14    81     1.09521   111.93795   168.58456
   84    78 S   CT   _C4_    74     1.49601   128.11454     4.10451
   85    84 S   HC   _H8_    75     1.09403   109.96267  -109.60805
   86    84 S   HC   _H9_    76     1.09503   109.34611   131.87120
   87    84 S   HC   _H10    77     1.09253   113.51821    12.47656
  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  10   5   4   3
  18   8   2   1   1  13   6   5  13   8  11   5   7   3   2   1
  12   3   1  13   5   4   2   1   1  12   6  15   8  10  11   5
   5   2   3   1   1   4   2   1   5   1   9   3  10   9   5   4
   2   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    70    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    49    63    70    71    72    41    42    45    46    47    48    50  
   38    39    40    43    70    41    42    45  
   36    37  
   37  
    0  
   39    40    43    44    49    52    70    41    42    45    54    50    51  
   40    43    44    49    41    50  
   43    44    49    41    50  
   42    45    46    47    48    73    43    60    63    64    70    71    72  
   45    46    47    48    63    70    71    72  
   44    49    52    53    58    54    55    56    57    50    51  
   49    52    54    50    51  
   46    47    48    63    70    71    72  
   47    48    70  
   48    70  
   70  
   52    53    58    59    60    74    54    55    56    57    50    51  
   51    52    54  
    0  
   53    58    59    60    61    62    65    74    63    54    55    56    57  
   58    59    60    74    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    62    65    66    74    67    63    64    70    73  
   60    61    62    65    74    63  
   61    62    65    66    74    67    68    69    63    64    70    71    72    73    75  
   62    65    74    67    63    64    70    73  
   65    66    74    67    68    69    63    64    70    73  
   64    70    71    72    73    75    76    77    65    67    74  
   70    71    72    73    75  
   66    74    67    68    69  
   74    67  
   68    69    74  
   69  
    0  
   71    72    73    75  
   72    73  
   73  
   75    76    77    78    80  
    0  
   76    77    78    79    84    80    81    82    83  
   77    78    80  
   78    79    84    85    86    87    80    81    82    83  
   79    84    85    86    87    80    81    82    83  
   84    85    86    87    80  
   81    82    83    84  
   82    83  
   83  
    0  
   85    86    87  
   86    87  
   87  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   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   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   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    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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    49   317.000  1.510
   43    50   320.000  1.410
   49    52   549.000  1.340
   49    54   317.000  1.510
   52    53   340.000  1.080
   52    58   317.000  1.510
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    74   320.000  1.410
   60    61   340.000  1.090
   60    62   317.000  1.510
   60    63   268.000  1.529
   62    65   320.000  1.462
   62    67   549.000  1.340
   65    66   570.000  1.229
   65    74   214.000  1.327
   67    68   340.000  1.080
   67    69   340.000  1.080
   63    64   340.000  1.090
   63    70   268.000  1.529
   63    73   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    41   268.000  1.529
   41    42   570.000  1.307
   41    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   73    75   214.000  1.327
   75    76   570.000  1.229
   75    77   320.000  1.462
   77    78   549.000  1.340
   77    80   317.000  1.510
   78    79   340.000  1.080
   78    84   317.000  1.510
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   50    51   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    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  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    70    58.35000  112.70000
   33    41    42    50.00000  109.50000
   33    41    45    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    49    70.00000  112.02700
   38    43    50    50.00000  109.50000
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    49    52    70.00000  124.00000
   43    49    54    65.00000  117.92700
   43    50    51    55.00000  108.50000
   49    43    44    35.00000  109.50000
   49    52    53    35.00000  120.00000
   49    52    58    70.00000  124.00000
   49    54    55    35.00000  109.50000
   49    54    56    35.00000  109.50000
   49    54    57    35.00000  109.50000
   52    58    59    35.00000  109.50000
   52    58    60    70.00000  112.02700
   52    58    74    85.00000  110.90400
   58    52    53    35.00000  117.00000
   58    60    61    37.50000  110.70000
   58    60    62    70.00000  112.02700
   58    60    63    58.35000  112.70000
   58    74    65    83.00000  116.90000
   60    58    59    37.50000  110.70000
   60    62    65    65.00000  116.34900
   60    62    67    70.00000  124.00000
   60    63    64    37.50000  110.70000
   60    63    70    58.35000  112.70000
   60    63    73    50.00000  109.50000
   62    60    61    35.00000  109.50000
   62    65    66    80.00000  123.72100
   62    65    74    90.00000  111.29400
   62    67    68    35.00000  120.00000
   62    67    69    35.00000  120.00000
   74    58    59    35.00000  109.50000
   74    58    60    50.00000  109.50000
   74    65    66    83.00000  123.40000
   67    62    65    65.00000  118.96000
   69    67    68    35.00000  117.00000
   63    60    61    37.50000  110.70000
   63    60    62    70.00000  112.02700
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    41    58.35000  112.70000
   63    73    75    83.00000  116.90000
   70    63    64    37.50000  110.70000
   70    41    42    50.00000  109.50000
   70    41    45    58.35000  112.70000
   72    70    71    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    70    71    37.50000  110.70000
   41    70    72    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   45    41    42    50.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   73    63    64    35.00000  109.50000
   73    63    70    50.00000  109.50000
   73    75    76    83.00000  123.40000
   73    75    77    90.00000  111.29400
   75    77    78    65.00000  118.96000
   75    77    80    65.00000  116.34900
   77    75    76    80.00000  123.72100
   77    78    79    35.00000  120.00000
   77    78    84    70.00000  124.00000
   77    80    81    35.00000  109.50000
   77    80    82    35.00000  109.50000
   77    80    83    35.00000  109.50000
   78    84    85    35.00000  109.50000
   78    84    86    35.00000  109.50000
   78    84    87    35.00000  109.50000
   84    78    79    35.00000  117.00000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   80    77    78    70.00000  124.00000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   54    49    52    70.00000  124.00000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   50    43    44    35.00000  109.50000
   50    43    49    90.00000  110.39200
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    70   0.44750  1.0 1.0
   29    33    41    70  -0.17800 -1.0 2.0
   29    33    41    70   0.20200  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    49   0.34400  1.0 1.0
   33    38    43    49   0.09450 -1.0 2.0
   33    38    43    49   0.11100  1.0 3.0
   33    38    43    50   0.86500  1.0 1.0
   33    38    43    50  -0.17500 -1.0 2.0
   33    38    43    50   0.20800  1.0 3.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    47   0.15000  1.0 3.0
   33    41    45    48   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    70   0.15000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    45   0.15000  1.0 3.0
   38    33    41    70   0.56750  1.0 1.0
   38    33    41    70  -0.07550 -1.0 2.0
   38    33    41    70   0.20000  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    45   0.56750  1.0 1.0
   38    33    41    45  -0.07550 -1.0 2.0
   38    33    41    45   0.20000  1.0 3.0
   38    43    49    52   0.09850  1.0 1.0
   38    43    49    52   0.15250 -1.0 2.0
   38    43    49    52  -0.50650  1.0 3.0
   38    43    49    54   0.46850  1.0 1.0
   38    43    49    54   0.08550 -1.0 2.0
   38    43    49    54   0.09800  1.0 3.0
   38    43    50    51  -0.11600  1.0 1.0
   38    43    50    51  -0.09450 -1.0 2.0
   38    43    50    51   0.21250  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    49   0.15000  1.0 3.0
   39    38    43    50   0.23400  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    49   0.15000  1.0 3.0
   40    38    43    50   0.23400  1.0 3.0
   43    49    52    53   7.00000 -1.0 2.0
   43    49    52    58   7.00000 -1.0 2.0
   43    49    54    55   0.34800  1.0 3.0
   43    49    54    56   0.34800  1.0 3.0
   43    49    54    57   0.34800  1.0 3.0
   44    43    49    52   0.00000  1.0 1.0
   44    43    49    54   0.34800  1.0 3.0
   44    43    50    51   0.19450  1.0 3.0
   49    43    50    51  -0.07800  1.0 1.0
   49    43    50    51  -0.21500 -1.0 2.0
   49    43    50    51  -0.03150  1.0 3.0
   49    52    58    59   0.00000  1.0 1.0
   49    52    58    60   0.09850  1.0 1.0
   49    52    58    60   0.15250 -1.0 2.0
   49    52    58    60  -0.50650  1.0 3.0
   49    52    58    74   0.39000  1.0 1.0
   49    52    58    74  -0.05800 -1.0 2.0
   49    52    58    74  -0.55150  1.0 3.0
   52    49    54    55   0.00000  1.0 1.0
   52    49    54    56   0.00000  1.0 1.0
   52    49    54    57   0.00000  1.0 1.0
   52    58    60    61   0.15000  1.0 3.0
   52    58    60    62   0.31000  1.0 1.0
   52    58    60    62   0.14700 -1.0 2.0
   52    58    60    62   0.07550  1.0 3.0
   52    58    60    63   0.34400  1.0 1.0
   52    58    60    63   0.09450 -1.0 2.0
   52    58    60    63   0.11100  1.0 3.0
   52    58    74    65  -0.82050  1.0 1.0
   52    58    74    65   0.00600 -1.0 2.0
   52    58    74    65   0.04400  1.0 3.0
   53    52    58    59   0.33100  1.0 3.0
   53    52    58    60   0.00000  1.0 1.0
   53    52    58    74   0.00000  1.0 1.0
   58    60   -62    65   0.09700  1.0 1.0
   58    60   -62    65   0.15600 -1.0 2.0
   58    60   -62    65  -0.50800  1.0 3.0
   58    60    62    67   0.09850  1.0 1.0
   58    60    62    67   0.15250 -1.0 2.0
   58    60    62    67  -0.50650  1.0 3.0
   58    60    63    64   0.15000  1.0 3.0
   58    60    63    70   0.56750  1.0 1.0
   58    60    63    70  -0.07550 -1.0 2.0
   58    60    63    70   0.20000  1.0 3.0
   58    60    63    73   0.62750  1.0 1.0
   58    60    63    73  -0.30950 -1.0 2.0
   58    60    63    73   0.27300  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    62   0.15000  1.0 3.0
   59    58    60    63   0.15000  1.0 3.0
   59    58    74    65   0.08050  1.0 3.0
   60    58   -74    65  -0.25900  1.0 1.0
   60    58   -74    65  -0.47000 -1.0 2.0
   60    58   -74    65   0.11750  1.0 3.0
   60    62    65    66  -0.64400  1.0 1.0
   60    62    65    66   0.26850 -1.0 2.0
   60    62   -65    74  -0.15000  1.0 1.0
   60    62   -65    74   0.89550 -1.0 2.0
   60    62   -65    74  -0.06900  1.0 3.0
   60    62    67    68   7.00000 -1.0 2.0
   60    62    67    69   7.00000 -1.0 2.0
   60    63    70    71   0.15000  1.0 3.0
   60    63    70    72   0.15000  1.0 3.0
   60    63    70    41   0.56750  1.0 1.0
   60    63    70    41  -0.07550 -1.0 2.0
   60    63    70    41   0.20000  1.0 3.0
   60    63    73    75  -0.25900  1.0 1.0
   60    63    73    75  -0.47000 -1.0 2.0
   60    63    73    75   0.11750  1.0 3.0
   61    60    62    65   0.15000  1.0 3.0
   61    60    62    67   0.00000  1.0 1.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    70   0.15000  1.0 3.0
   61    60    63    73   0.23400  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    70   0.34400  1.0 1.0
   62    60    63    70   0.09450 -1.0 2.0
   62    60    63    70   0.11100  1.0 3.0
   62    60    63    73   0.61850  1.0 1.0
   62    60    63    73  -0.22750 -1.0 2.0
   62    60    63    73   0.15300  1.0 3.0
   62    65   -74    58   2.00000 -1.0 2.0
   65    62    67    68   7.00000 -1.0 2.0
   65    62    67    69   7.00000 -1.0 2.0
   66    65    74    58   3.00000 -1.0 2.0
   74    58    60    61   0.23400  1.0 3.0
   74    58   -60    62   0.61850  1.0 1.0
   74    58   -60    62  -0.22750 -1.0 2.0
   74    58   -60    62   0.15300  1.0 3.0
   74    58    60    63   0.62750  1.0 1.0
   74    58    60    63  -0.30950 -1.0 2.0
   74    58    60    63   0.27300  1.0 3.0
   67    62    65    66   1.00000 -1.0 2.0
   67    62    65    74  -0.56150  1.0 1.0
   67    62    65    74   2.19150 -1.0 2.0
   63    60    62    65   0.09700  1.0 1.0
   63    60    62    65   0.15600 -1.0 2.0
   63    60    62    65  -0.50800  1.0 3.0
   63    60    62    67   0.09850  1.0 1.0
   63    60    62    67   0.15250 -1.0 2.0
   63    60    62    67  -0.50650  1.0 3.0
   63    70    41    33   0.56750  1.0 1.0
   63    70    41    33  -0.07550 -1.0 2.0
   63    70    41    33   0.20000  1.0 3.0
   63    70    41    42   0.62750  1.0 1.0
   63    70    41    42  -0.30950 -1.0 2.0
   63    70    41    42   0.27300  1.0 3.0
   63    70    41    45   0.56750  1.0 1.0
   63    70    41    45  -0.07550 -1.0 2.0
   63    70    41    45   0.20000  1.0 3.0
   63    73    75    76   3.00000 -1.0 2.0
   63    73    75    77   2.00000 -1.0 2.0
   64    63    70    71   0.15000  1.0 3.0
   64    63    70    72   0.15000  1.0 3.0
   64    63    70    41   0.15000  1.0 3.0
   64    63    73    75   0.08050  1.0 3.0
   70    63    73    75  -0.25900  1.0 1.0
   70    63    73    75  -0.47000 -1.0 2.0
   70    63    73    75   0.11750  1.0 3.0
   70    41    45    46   0.15000  1.0 3.0
   70    41    45    47   0.15000  1.0 3.0
   70    41    45    48   0.15000  1.0 3.0
   71    70    41    33   0.15000  1.0 3.0
   71    70    41    42   0.23400  1.0 3.0
   71    70    41    45   0.15000  1.0 3.0
   72    70    41    33   0.15000  1.0 3.0
   72    70    41    42   0.23400  1.0 3.0
   72    70    41    45   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   42    41    45    46   0.23400  1.0 3.0
   42    41    45    47   0.23400  1.0 3.0
   42    41    45    48   0.23400  1.0 3.0
   73    63    70    71   0.23400  1.0 3.0
   73    63    70    72   0.23400  1.0 3.0
   73    63    70    41   0.62750  1.0 1.0
   73    63    70    41  -0.30950 -1.0 2.0
   73    63    70    41   0.27300  1.0 3.0
   73    75    77    78  -0.56150  1.0 1.0
   73    75    77    78   2.19150 -1.0 2.0
   73    75    77    80  -0.15000  1.0 1.0
   73    75    77    80   0.89550 -1.0 2.0
   73    75    77    80  -0.06900  1.0 3.0
   75    77    78    79   7.00000 -1.0 2.0
   75    77    78    84   7.00000 -1.0 2.0
   75    77    80    81   0.15000  1.0 3.0
   75    77    80    82   0.15000  1.0 3.0
   75    77    80    83   0.15000  1.0 3.0
   76    75    77    78   1.00000 -1.0 2.0
   76    75    77    80  -0.64400  1.0 1.0
   76    75    77    80   0.26850 -1.0 2.0
   77    78    84    85   0.00000  1.0 1.0
   77    78    84    86   0.00000  1.0 1.0
   77    78    84    87   0.00000  1.0 1.0
   78    77    80    81   0.00000  1.0 1.0
   78    77    80    82   0.00000  1.0 1.0
   78    77    80    83   0.00000  1.0 1.0
   79    78    84    85   0.33100  1.0 3.0
   79    78    84    86   0.33100  1.0 3.0
   79    78    84    87   0.33100  1.0 3.0
   80    77    78    79   7.00000 -1.0 2.0
   80    77    78    84   7.00000 -1.0 2.0
   54    49    52    53   7.00000 -1.0 2.0
   54    49    52    58   7.00000 -1.0 2.0
   50    43    49    52   0.67800  1.0 1.0
   50    43    49    52   0.47050 -1.0 2.0
   50    43    49    52  -0.62500  1.0 3.0
   50    43    49    54   0.18000  1.0 1.0
   50    43    49    54   0.16450 -1.0 2.0
   50    43    49    54   0.04450  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
   36    30    35    37  10.50000 -1.0 2.0
   43    54    49    52   1.10000 -1.0 2.0
   58    53    52    49   1.10000 -1.0 2.0
   60    65    62    67   1.10000 -1.0 2.0
   62    74    65    66  10.50000 -1.0 2.0
   68    69    67    62   1.10000 -1.0 2.0
   73    77    75    76  10.50000 -1.0 2.0
   75    80    77    78  15.00000 -1.0 2.0
   84    79    78    77  15.00000 -1.0 2.0
END
