* LIGAND DATABASE FILE (OPLS2005)
*
001      95    96    172    260     504
    1     0 S   NP   _N1_     1    28.80888    99.17493   -19.25898
    2     1 S   H    _HN1     2     1.02961    77.70646    43.59509
    3     1 S   H    _H1_     3     1.02827    57.65244   163.01823
    4     1 S   H    _H2_     4     1.02770    71.86275   -70.67447
    5     1 S   CT   _CA1     5     1.50222   168.05253   176.86512
    6     5 S   HC   _HA1     6     1.09581   105.08520    46.62592
    7     5 S   CO3  _C1_     7     1.53801   112.56053   -73.11803
    8     7 S   O2Z  _O11     8     1.26370   114.99284   -35.51545
    9     7 S   O2Z  _O12     9     1.26248   115.02463   143.46373
   10     5 S   CT   _CB1    10     1.53122   107.30499   164.37999
   11    10 S   HC   HB11    11     1.09807   109.04153   -49.91300
   12    10 S   HC   HB12    12     1.09809   110.46309    66.53151
   13    10 S   CT   _CG1    13     1.52967   112.84557  -171.15338
   14    13 S   HC   HG11    14     1.09459   110.36870   -66.74557
   15    13 S   HC   HG12    15     1.09667   110.04405    52.13630
   16    13 S   C    _CD1    16     1.51878   112.49666   171.75102
   17    16 S   O    _OE1    17     1.22720   123.19327   -13.41975
   18    16 S   N    _N2_    18     1.38567   111.68395   168.61383
   19    18 S   H    _HN2    19     1.01591   118.90454    -2.67562
   20    18 S   CT1  _CA2    20     1.46180   123.55531   175.72401
   21    20 S   HC   _HA2    21     1.09739   109.41356   -12.87491
   22    20 S   C    _C2_    22     1.53535   107.84417  -128.13008
   23    22 S   O    _O2_    23     1.23013   122.37096  -144.92151
   24    20 S   CT   _CB2    32     1.53219   111.64974   109.75983
   25    24 S   HC   HB21    33     1.09457   109.97821    52.18410
   26    24 S   HC   HB22    34     1.09447   110.45631   170.04181
   27    22 S   N    _N3_    24     1.38549   113.32463    42.40312
   28    27 S   H    _HN3    25     1.01524   118.88922    -0.56336
   29    24 S   S    _SG2    35     1.82822   111.93414   -71.81204
   30    27 S   CT   _CA3    26     1.45442   123.45662   175.13824
   31    30 S   HC   HA31    27     1.09523   109.22260    24.64407
   32    30 S   HC   HA32    28     1.09495   107.12273   141.65138
   33    29 S   CT   _C14    36     1.83980   100.51160   133.36250
   34    33 S   HC   _H5_    37     1.09837   102.64831    38.54799
   35    30 S   CO3  _C3_    29     1.52926   113.13461   -98.82088
   36    35 S   O2Z  _O31    30     1.26401   115.42219   -43.91279
   37    35 S   O2Z  _O32    31     1.26358   114.96972   137.02265
   38    33 S   CA   _C15    38     1.52321   111.95146   -76.66251
   39    33 S   CM   _C9_    49     1.54502   113.60168   151.50433
   40    38 S   CA   _C16    39     1.40610   119.65835   112.17872
   41    40 S   HA   _H16    40     1.08757   120.37185    -0.02798
   42    39 S   CMA  _C10    50     1.37073   126.96268    46.95650
   43    42 S   OM   _O36    51     1.26085   130.65621    -3.66303
   44    39 S   N    _N5_    70     1.40990   113.72269  -133.75101
   45    40 S   CA   _C17    41     1.39651   121.03460   179.97202
   46    45 S   HA   _H17    42     1.08614   119.98041   179.90935
   47    42 S   NE   _N6_    52     1.39868   118.44813   173.45315
   48    47 S   H    _H10    53     1.01612   113.95522    -9.49562
   49    44 S   CT   _C21    71     1.46272   117.03207   -64.25413
   50    49 S   HC   _H21    72     1.09377   108.72027    90.02523
   51    49 S   HC   _H22    73     1.09422   110.53281   -31.38732
   52    49 S   HC   _H23    74     1.09406   110.71387  -151.16528
   53    45 S   CA   _C18    43     1.39146   120.03896    -0.15949
   54    53 S   HA   _H18    44     1.08620   120.24574   179.84934
   55    47 S   CT1  _C11    54     1.45148   130.21332   170.64165
   56    55 S   HC   _H11    55     1.09621   109.93267    76.76212
   57    55 S   HC   _H12    56     1.09478   113.10669   -43.33826
   58    53 S   CA   _C19    45     1.39178   119.75653     0.25256
   59    58 S   HA   _H19    46     1.08627   119.97456   179.73093
   60    55 S   C    _C12    57     1.51875   108.05349  -165.22070
   61    60 S   O    _O35    58     1.23574   118.66941  -102.86802
   62    38 S   CA   _C20    47     1.40288   122.31942   -67.44395
   63    62 S   HA   _H20    48     1.08530   120.95258     0.82756
   64    60 S   N    _N7_    59     1.40328   117.88196    75.94781
   65    64 S   CT1  _C5_    60     1.48756   124.51531     2.41784
   66    65 S   HC   _H3_    61     1.08346   109.79614   -13.52333
   67    64 S   CT   _C13    92     1.46349   117.42475  -179.40324
   68    67 S   HC   _H13    93     1.09351   108.82431   108.44986
   69    67 S   HC   _H14    94     1.09328   111.86932   -10.72690
   70    67 S   HC   _H15    95     1.09254   109.96844  -130.78374
   71    65 S   C    _C6_    62     1.53306   111.81017  -135.11283
   72    71 S   O    _O33    63     1.23606   120.90370   -72.22779
   73    65 S   CT   _C4_    88     1.53184   110.56833   102.26596
   74    73 S   HC   _H6_    89     1.09482   112.23570    63.30504
   75    73 S   HC   _H7_    90     1.09521   110.77644   -57.07299
   76    73 S   HC   _H8_    91     1.09553   110.51219  -177.00487
   77    71 S   N    _N4_    64     1.37337   119.65209   105.86333
   78    77 S   H    _H9_    65     1.01535   113.68334  -175.34730
   79    77 S   CT1  _C7_    66     1.47045   131.23363     0.48698
   80    79 S   HC   _H4_    67     1.08441   109.62386    22.47320
   81    79 S   C    _C8_    68     1.54211   106.58620   -99.02159
   82    81 S   O    _O34    69     1.23749   119.57159   -29.34890
   83    79 S   CTD  _C22    75     1.54211   110.41773   142.92553
   84    83 S   HC   _H24    76     1.09863   109.96762    39.56398
   85    83 S   HC   _H25    77     1.09728   109.23211   154.94476
   86    83 S   CT   _C23    78     1.54358   114.56543   -84.28117
   87    86 S   HC   _H26    79     1.09681   108.53408   -59.20699
   88    86 S   CT   _C24    80     1.52805   113.50527    60.74671
   89    88 S   HC   _H27    81     1.09502   111.37166    52.98033
   90    88 S   HC   _H28    82     1.09343   111.22212   -68.25960
   91    88 S   HC   _H29    83     1.09557   110.81040   173.11365
   92    86 S   CT   _C25    84     1.53161   109.53325  -176.58184
   93    92 S   HC   _H30    85     1.09541   111.22485   -63.86141
   94    92 S   HC   _H31    86     1.09519   110.83437   175.93052
   95    92 S   HC   _H32    87     1.09448   110.98914    56.36535
  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   8   5   4   3
  15   6   2   1   1  12  15   8   4  10   4  11   6   3   7   4
   6   3   2   1   5   3   7   4   3   3   2  10   3   1   1  13
  14   8   5   2   1   1  11   4   4   2   1   1   9   4  10   6
   5   1  12   5   4   9   8   7   3   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    40    62    39    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    45    58    62    63    39    42    43    47    81    44    49  
   38    40    62    39    42    44  
   36    37  
   37  
    0  
   40    41    45    46    53    58    59    62    63    39    42    44  
   42    43    47    48    55    79    81    82    44    49    50    51    52    40    62  
   41    45    46    53    54    58    62    63  
   45    46    53    62  
   43    47    48    55    56    57    60    81    44    49  
   47    48    55    44  
   49    50    51    52    83    47    77    79    80    81    82  
   46    53    54    58    59    62  
   53    54    58  
   48    55    56    57    60    61    64  
   55    56    57    60  
   50    51    52    79    81    82  
   51    52    81  
   52    81  
   81  
   54    58    59    62    63  
   58    59    62  
   56    57    60    61    64    65    67  
   57    60    61    64  
   60    61    64  
   59    62    63  
   62    63  
   61    64    65    66    71    73    67    68    69    70  
   64    65    67  
   63  
    0  
   65    66    71    72    77    73    74    75    76    67    68    69    70  
   66    71    72    77    78    79    73    74    75    76    67    68    69    70  
   71    72    77    73    74    75    76    67  
   68    69    70    71    73  
   69    70  
   70  
    0  
   72    77    78    79    80    81    83    73    74    75    76  
   77    78    79    73  
   74    75    76    77  
   75    76  
   76  
    0  
   78    79    80    81    82    83    84    85    86  
   79    80    81    83  
   80    81    82    83    84    85    86    87    88    92  
   81    82    83    84    85    86  
   82    83    84    85    86  
   83  
   84    85    86    87    88    89    90    91    92    93    94    95  
   85    86    87    88    92  
   86    87    88    92  
   87    88    89    90    91    92    93    94    95  
   88    89    90    91    92    93    94    95  
   89    90    91    92    93    94    95  
   90    91    92  
   91    92  
   92  
   93    94    95  
   94    95  
   95  
    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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.674400   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.2500   0.1700   0.003200   1.8100   1.6000   0.054801302  -1.445846770
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.2500   0.1700  -0.998700   1.8650   1.6500   0.051222218  -2.220205820
   48   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660  -0.110000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.2500   0.1700  -0.140000   1.8100   1.6000   0.054801302  -1.445846770
   65   3.5000   0.0660   0.010000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660  -0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   78   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   79   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   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   317.000  1.510
   33    39   317.000  1.510
   38    40   469.000  1.400
   38    62   469.000  1.400
   40    41   367.000  1.080
   40    45   469.000  1.400
   45    46   367.000  1.080
   45    53   469.000  1.400
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    59   367.000  1.080
   58    62   469.000  1.400
   62    63   367.000  1.080
   39    42   465.000  1.376
   39    44   400.000  1.384
   42    43   745.000  1.250
   42    47   415.000  1.382
   47    48   434.000  1.010
   47    55   382.000  1.448
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   317.000  1.522
   60    61   570.000  1.229
   60    64   490.000  1.335
   64    65   337.000  1.449
   64    67   337.000  1.449
   65    66   340.000  1.090
   65    71   317.000  1.522
   65    73   268.000  1.529
   71    72   570.000  1.229
   71    77   490.000  1.335
   77    78   434.000  1.010
   77    79   337.000  1.449
   79    80   340.000  1.090
   79    81   317.000  1.522
   79    83   268.000  1.529
   81    82   570.000  1.229
   81    44   490.000  1.335
   44    49   337.000  1.449
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   268.000  1.529
   86    87   340.000  1.090
   86    88   268.000  1.529
   86    92   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    40    70.00000  120.00000
   33    38    62    70.00000  120.00000
   33    39    42    70.00000  124.00000
   33    39    44    70.00000  113.82800
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    45    63.00000  120.00000
   38    62    58    63.00000  120.00000
   38    62    63    35.00000  120.00000
   40    45    46    35.00000  120.00000
   40    45    53    63.00000  120.00000
   45    40    41    35.00000  120.00000
   45    53    54    35.00000  120.00000
   45    53    58    63.00000  120.00000
   53    45    46    35.00000  120.00000
   53    58    59    35.00000  120.00000
   53    58    62    63.00000  120.00000
   58    53    54    35.00000  120.00000
   58    62    63    35.00000  120.00000
   62    38    40    63.00000  120.00000
   62    58    59    35.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    42    43    65.00000  137.10300
   39    42    47    75.00000  114.40000
   39    44    81    70.00000  120.89900
   39    44    49    70.00000  119.94800
   42    47    48    50.00000  121.48000
   42    47    55    50.00000  121.00000
   47    42    43   105.00000  113.92000
   47    55    56    35.00000  109.50000
   47    55    57    35.00000  109.50000
   47    55    60    70.00000  113.51500
   55    47    48    35.00000  112.50000
   55    60    61    80.00000  120.40000
   55    60    64    70.00000  116.60000
   57    55    56    33.00000  107.80000
   60    55    56    35.00000  109.50000
   60    55    57    35.00000  109.50000
   60    64    65    50.00000  121.90000
   60    64    67    50.00000  121.90000
   64    60    61    80.00000  122.90000
   64    65    66    35.00000  109.50000
   64    65    71    63.00000  110.10000
   64    65    73    80.00000  109.70000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    35.00000  109.50000
   65    71    72    80.00000  120.40000
   65    71    77    70.00000  116.60000
   65    73    74    37.50000  110.70000
   65    73    75    37.50000  110.70000
   65    73    76    37.50000  110.70000
   71    65    66    35.00000  109.50000
   71    77    78    35.00000  119.80000
   71    77    79    50.00000  121.90000
   77    71    72    80.00000  122.90000
   77    79    80    35.00000  109.50000
   77    79    81    63.00000  110.10000
   77    79    83    80.00000  109.70000
   79    77    78    38.00000  118.40000
   79    81    82    80.00000  120.40000
   79    81    44    70.00000  116.60000
   79    83    84    37.50000  110.70000
   79    83    85    37.50000  110.70000
   79    83    86    58.35000  112.70000
   81    79    80    35.00000  109.50000
   81    44    49    50.00000  121.90000
   44    39    42    75.00000  120.83300
   44    81    82    80.00000  122.90000
   44    49    50    35.00000  109.50000
   44    49    51    35.00000  109.50000
   44    49    52    35.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   83    79    80    37.50000  110.70000
   83    79    81    63.00000  111.10000
   83    86    87    37.50000  110.70000
   83    86    88    58.35000  112.70000
   83    86    92    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    37.50000  110.70000
   86    83    85    37.50000  110.70000
   86    88    89    37.50000  110.70000
   86    88    90    37.50000  110.70000
   86    88    91    37.50000  110.70000
   86    92    93    37.50000  110.70000
   86    92    94    37.50000  110.70000
   86    92    95    37.50000  110.70000
   88    86    87    37.50000  110.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   92    86    87    37.50000  110.70000
   92    86    88    58.35000  112.70000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   73    65    66    37.50000  110.70000
   73    65    71    63.00000  111.10000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   67    64    65    70.00000  118.74000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    40  -0.16000  1.0 1.0
   29    33    38    40  -0.03200 -1.0 2.0
   29    33    38    40   0.04500  1.0 3.0
   29    33    38    62  -0.16000  1.0 1.0
   29    33    38    62  -0.03200 -1.0 2.0
   29    33    38    62   0.04500  1.0 3.0
   29    33    39    42   0.42700  1.0 1.0
   29    33    39    42  -0.70350 -1.0 2.0
   29    33    39    42  -0.43150  1.0 3.0
   29    33    39    44   0.09700  1.0 1.0
   29    33    39    44   0.15600 -1.0 2.0
   29    33    39    44  -0.50800  1.0 3.0
   33    38    40    41   3.62500 -1.0 2.0
   33    38    40    45   3.62500 -1.0 2.0
   33    38    62    58   3.62500 -1.0 2.0
   33    38    62    63   3.62500 -1.0 2.0
   33    39    42    43   7.00000 -1.0 2.0
   33    39    42    47   7.00000 -1.0 2.0
   33    39    44    81  -0.45200  1.0 1.0
   33    39    44    81   0.85900 -1.0 2.0
   33    39    44    81   0.16650  1.0 3.0
   33    39    44    49   1.00000 -1.0 2.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    62   0.00000  1.0 1.0
   34    33    39    42   0.00000  1.0 1.0
   34    33    39    44  -0.18050  1.0 3.0
   38    33    39    42   1.44450  1.0 1.0
   38    33    39    42   0.06600 -1.0 2.0
   38    33    39    42   0.29250  1.0 3.0
   38    33    39    44  -0.22650  1.0 1.0
   38    33    39    44   0.16900 -1.0 2.0
   38    33    39    44   1.14250  1.0 3.0
   38    40    45    46   3.62500 -1.0 2.0
   38    40    45    53   3.62500 -1.0 2.0
   40    38    62    58   3.62500 -1.0 2.0
   40    38    62    63   3.62500 -1.0 2.0
   40    45    53    54   3.62500 -1.0 2.0
   40    45   -53    58   3.62500 -1.0 2.0
   41    40    45    46   3.62500 -1.0 2.0
   41    40    45    53   3.62500 -1.0 2.0
   45    53    58    59   3.62500 -1.0 2.0
   45    53    58    62   3.62500 -1.0 2.0
   46    45    53    54   3.62500 -1.0 2.0
   46    45    53    58   3.62500 -1.0 2.0
   53    58   -62    38   3.62500 -1.0 2.0
   53    58    62    63   3.62500 -1.0 2.0
   54    53    58    59   3.62500 -1.0 2.0
   54    53    58    62   3.62500 -1.0 2.0
   59    58    62    38   3.62500 -1.0 2.0
   59    58    62    63   3.62500 -1.0 2.0
   62    38    40    41   3.62500 -1.0 2.0
   62    38   -40    45   3.62500 -1.0 2.0
   39    33    38    40   0.18050 -1.0 2.0
   39    33    38    62   0.18050 -1.0 2.0
   39    42    47    48   1.00000 -1.0 2.0
   39    42    47    55  -0.54700  1.0 1.0
   39    42    47    55   1.23000 -1.0 2.0
   39    44    49    50   0.00000  1.0 1.0
   39    44    49    51   0.00000  1.0 1.0
   39    44    49    52   0.00000  1.0 1.0
   42    39    44    81  -0.18900  1.0 1.0
   42    39    44    81   1.70900 -1.0 2.0
   42    39    44    49  -0.88150  1.0 1.0
   42    39    44    49   2.95600 -1.0 2.0
   42    47    55    56   0.00000  1.0 1.0
   42    47    55    57   0.00000  1.0 1.0
   42    47    55    60  -0.12500  1.0 1.0
   42    47    55    60  -0.12500 -1.0 2.0
   42    47    55    60   0.25000  1.0 3.0
   43    42    47    48   1.00000 -1.0 2.0
   43    42    47    55   1.00000 -1.0 2.0
   47    55    60    61   0.00000  1.0 1.0
   47    55    60    64   0.37150  1.0 1.0
   47    55    60    64   1.25400 -1.0 2.0
   47    55    60    64  -0.40250  1.0 3.0
   48    47    55    56   0.00000  1.0 1.0
   48    47    55    57   0.00000  1.0 1.0
   48    47    55    60   0.00000  1.0 1.0
   55    60    64    65   1.15000  1.0 1.0
   55    60    64    65   3.04450 -1.0 2.0
   55    60    64    67   1.15000  1.0 1.0
   55    60    64    67   3.04450 -1.0 2.0
   56    55    60    61   0.00000  1.0 1.0
   56    55    60    64   0.00000  1.0 1.0
   57    55    60    61   0.00000  1.0 1.0
   57    55    60    64   0.00000  1.0 1.0
   60    64    65    66   0.00000  1.0 1.0
   60    64    65    71  -0.29800  1.0 1.0
   60    64    65    71   0.13950 -1.0 2.0
   60    64    65    71  -2.45650  1.0 3.0
   60    64    65    73   0.25950  1.0 1.0
   60    64    65    73   0.43850 -1.0 2.0
   60    64    65    73   2.61650  1.0 3.0
   60    64    67    68   0.00000  1.0 1.0
   60    64    67    69   0.00000  1.0 1.0
   60    64    67    70   0.00000  1.0 1.0
   61    60    64    65   3.04450 -1.0 2.0
   61    60    64    67   3.04450 -1.0 2.0
   64    65    71    72   0.00000  1.0 1.0
   64    65    71    77   0.37150  1.0 1.0
   64    65    71    77   1.25400 -1.0 2.0
   64    65    71    77  -0.40250  1.0 3.0
   64    65    73    74   0.23200  1.0 3.0
   64    65    73    75   0.23200  1.0 3.0
   64    65    73    76   0.23200  1.0 3.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    69   0.00000  1.0 1.0
   65    64    67    70   0.00000  1.0 1.0
   65    71    77    78   2.45000 -1.0 2.0
   65    71    77    79   1.15000  1.0 1.0
   65    71    77    79   3.04450 -1.0 2.0
   66    65    71    72   0.00000  1.0 1.0
   66    65    71    77   0.00000  1.0 1.0
   66    65    73    74   0.15000  1.0 3.0
   66    65    73    75   0.15000  1.0 3.0
   66    65    73    76   0.15000  1.0 3.0
   71    65    73    74  -0.03800  1.0 3.0
   71    65    73    75  -0.03800  1.0 3.0
   71    65    73    76  -0.03800  1.0 3.0
   71    77    79    80   0.00000  1.0 1.0
   71    77    79    81  -0.29800  1.0 1.0
   71    77    79    81   0.13950 -1.0 2.0
   71    77    79    81  -2.45650  1.0 3.0
   71    77    79    83   0.25950  1.0 1.0
   71    77    79    83   0.43850 -1.0 2.0
   71    77    79    83   2.61650  1.0 3.0
   72    71    77    78   2.45000 -1.0 2.0
   72    71    77    79   3.04450 -1.0 2.0
   77    79    81    82   0.00000  1.0 1.0
   77    79    81    44   0.37150  1.0 1.0
   77    79    81    44   1.25400 -1.0 2.0
   77    79    81    44  -0.40250  1.0 3.0
   77    79    83    84   0.23200  1.0 3.0
   77    79    83    85   0.23200  1.0 3.0
   77    79    83    86   0.26400  1.0 1.0
   77    79    83    86   0.16150 -1.0 2.0
   77    79    83    86   0.25850  1.0 3.0
   78    77    79    80   0.00000  1.0 1.0
   78    77    79    81   0.00000  1.0 1.0
   78    77    79    83   0.00000  1.0 1.0
   79    81    44    39   0.67100  1.0 1.0
   79    81    44    39   1.42150 -1.0 2.0
   79    81    44    39   0.18700  1.0 3.0
   79    81    44    49   1.15000  1.0 1.0
   79    81    44    49   3.04450 -1.0 2.0
   79    83    86    87   0.15000  1.0 3.0
   79    83    86    88   0.65000  1.0 1.0
   79    83    86    88  -0.02500 -1.0 2.0
   79    83    86    88   0.10000  1.0 3.0
   79    83    86    92   0.65000  1.0 1.0
   79    83    86    92  -0.02500 -1.0 2.0
   79    83    86    92   0.10000  1.0 3.0
   80    79    81    82   0.00000  1.0 1.0
   80    79    81    44   0.00000  1.0 1.0
   80    79    83    84   0.15000  1.0 3.0
   80    79    83    85   0.15000  1.0 3.0
   80    79    83    86   0.15000  1.0 3.0
   81    79    83    84  -0.03800  1.0 3.0
   81    79    83    85  -0.03800  1.0 3.0
   81    79    83    86  -0.45800  1.0 1.0
   81    79    83    86   0.20550 -1.0 2.0
   81    44    49    50   0.00000  1.0 1.0
   81    44    49    51   0.00000  1.0 1.0
   81    44    49    52   0.00000  1.0 1.0
   82    81    44    39   2.67200 -1.0 2.0
   82    81    44    49   3.04450 -1.0 2.0
   44    39    42    43   7.00000 -1.0 2.0
   44    39    42    47   7.00000 -1.0 2.0
   83    79    81    82   0.00000  1.0 1.0
   83    79    81    44   0.93250  1.0 1.0
   83    79    81    44   0.04450 -1.0 2.0
   83    79    81    44   0.17550  1.0 3.0
   83    86    88    89   0.15000  1.0 3.0
   83    86    88    90   0.15000  1.0 3.0
   83    86    88    91   0.15000  1.0 3.0
   83    86    92    93   0.15000  1.0 3.0
   83    86    92    94   0.15000  1.0 3.0
   83    86    92    95   0.15000  1.0 3.0
   84    83    86    87   0.15000  1.0 3.0
   84    83    86    88   0.15000  1.0 3.0
   84    83    86    92   0.15000  1.0 3.0
   85    83    86    87   0.15000  1.0 3.0
   85    83    86    88   0.15000  1.0 3.0
   85    83    86    92   0.15000  1.0 3.0
   87    86    88    89   0.15000  1.0 3.0
   87    86    88    90   0.15000  1.0 3.0
   87    86    88    91   0.15000  1.0 3.0
   87    86    92    93   0.15000  1.0 3.0
   87    86    92    94   0.15000  1.0 3.0
   87    86    92    95   0.15000  1.0 3.0
   88    86    92    93   0.15000  1.0 3.0
   88    86    92    94   0.15000  1.0 3.0
   88    86    92    95   0.15000  1.0 3.0
   92    86    88    89   0.15000  1.0 3.0
   92    86    88    90   0.15000  1.0 3.0
   92    86    88    91   0.15000  1.0 3.0
   73    65    71    72   0.00000  1.0 1.0
   73    65    71    77   0.93250  1.0 1.0
   73    65    71    77   0.04450 -1.0 2.0
   73    65    71    77   0.17550  1.0 3.0
   67    64    65    66   0.00000  1.0 1.0
   67    64    65    71   0.17850 -1.0 2.0
   67    64    65    73  -0.05900 -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
   40    62    38    33   4.00000 -1.0 2.0
   45    41    40    38   1.10000 -1.0 2.0
   53    46    45    40   1.10000 -1.0 2.0
   58    54    53    45   1.10000 -1.0 2.0
   62    59    58    53   1.10000 -1.0 2.0
   58    63    62    38   1.10000 -1.0 2.0
   33    44    39    42   1.10000 -1.0 2.0
   47    43    42    39   1.10000 -1.0 2.0
   48    42    47    55   1.00000 -1.0 2.0
   55    64    60    61  10.50000 -1.0 2.0
   67    60    64    65   1.00000 -1.0 2.0
   65    77    71    72  10.50000 -1.0 2.0
   78    71    77    79   1.00000 -1.0 2.0
   79    44    81    82  10.50000 -1.0 2.0
   49    81    44    39   1.00000 -1.0 2.0
END
