* LIGAND DATABASE FILE (OPLS2005)
*
001      99   103    193    321     581
    1     0 S   NP   _N1_     1    29.09868    95.07788   -18.70487
    2     1 S   H    _HN1     2     1.02770    76.29352   -78.09328
    3     1 S   H    _H1_     3     1.02963    94.47770    29.73161
    4     1 S   H    _H2_     4     1.02825    40.36908   140.91885
    5     1 S   CT   _CA1     5     1.50193   148.20595   171.60494
    6     5 S   HC   _HA1     6     1.09582   105.13218    38.45533
    7     5 S   CO3  _C1_     7     1.53721   112.35925   -81.44125
    8     7 S   O2Z  _O11     8     1.26370   115.01916   -41.25239
    9     7 S   O2Z  _O12     9     1.26256   114.91577   137.62334
   10     5 S   CT   _CB1    10     1.53061   107.32024   156.16478
   11    10 S   HC   HB11    11     1.09819   109.01699   -50.86853
   12    10 S   HC   HB12    12     1.09821   110.46714    65.53648
   13    10 S   CT   _CG1    13     1.53044   112.93139  -172.10255
   14    13 S   HC   HG11    14     1.09571   110.29200   -67.02106
   15    13 S   HC   HG12    15     1.09645   110.12539    52.18359
   16    13 S   C    _CD1    16     1.51892   112.19956   172.10278
   17    16 S   O    _OE1    17     1.22762   123.18670    -7.42682
   18    16 S   N    _N2_    18     1.38619   111.85028   173.42076
   19    18 S   H    _HN2    19     1.01630   119.03411    -1.62726
   20    18 S   CT1  _CA2    20     1.46190   123.35144  -179.20771
   21    20 S   HC   _HA2    21     1.09735   109.21262   -10.25358
   22    20 S   C    _C2_    22     1.53399   108.68449  -125.95880
   23    22 S   O    _O2_    23     1.23037   122.12655  -147.63885
   24    20 S   CT   _CB2    32     1.53500   111.73179   111.53642
   25    24 S   HC   HB21    33     1.09483   110.30049    61.59692
   26    24 S   HC   HB22    34     1.09557   110.17964   179.18291
   27    22 S   N    _N3_    24     1.38481   113.48707    39.82186
   28    27 S   H    _HN3    25     1.01525   118.87129    -0.94253
   29    24 S   S    _SG2    35     1.82837   111.67324   -62.05492
   30    27 S   CT   _CA3    26     1.45445   123.51454   175.19853
   31    30 S   HC   HA31    27     1.09521   109.30191    23.18388
   32    30 S   HC   HA32    28     1.09499   107.10878   140.16847
   33    29 S   CT   _C30    36     1.81322   100.57638   135.27788
   34    33 S   HC   _H3_    37     1.09310   110.99124    47.07617
   35    33 S   HC   _H4_    38     1.09204   105.90965   164.29246
   36    30 S   CO3  _C3_    29     1.52912   113.05682  -100.35494
   37    36 S   O2Z  _O31    30     1.26410   115.37800   -46.12199
   38    36 S   O2Z  _O32    31     1.26355   115.01584   134.82408
   39    33 S   CO4  _C14    39     1.52106   112.28296   -76.28746
   40    39 S   O    _O30    40     1.23298   121.50486    45.84096
   41    39 S   CT   _C24    41     1.55158   117.68368  -136.33994
   42    41 S   CT   _C21    42     1.58152   112.68816  -178.32100
   43    42 S   HC   _H52    43     1.09776   109.65469    29.87259
   44    41 S   OS   _O35    89     1.44995   111.91859    55.84387
   45    42 S   CT   _C17    44     1.55077   106.64659   144.67172
   46    45 S   HC   _H46    45     1.09644   110.01614  -114.68084
   47    45 S   HC   _H47    46     1.09548   112.53985   125.74581
   48    42 S   CT   _C27    85     1.52341   116.77482   -90.80009
   49    48 S   HC   _H54    86     1.09413   112.09735   -61.26825
   50    48 S   HC   _H55    87     1.09582   110.31017   179.26538
   51    48 S   HC   _H56    88     1.09229   110.70178    60.88474
   52    44 S   CO4  _C13    90     1.36330   123.04641    42.92980
   53    52 S   O    _O29    91     1.22314   125.85277    -0.48658
   54    45 S   CT   _C20    47     1.52336   104.67880     4.80167
   55    54 S   HC   _H51    48     1.09907   104.73607    80.54869
   56    52 S   C5A  _C7_    92     1.43696   109.08372   179.72517
   57    54 S   CT   _C19    49     1.53961   118.38020  -160.84813
   58    57 S   HC   _H50    50     1.09483   107.56614    63.45503
   59    56 S   C5BC _C5_    93     1.38265   132.92823    -0.91493
   60    59 S   HA   _H37    94     1.08105   126.27524    -0.06853
   61    57 S   CT   _C16    51     1.54200   111.67713   -52.22213
   62    61 S   HC   _H44    52     1.09666   109.83812    61.01054
   63    61 S   HC   _H45    53     1.09681   110.62797   -55.77879
   64    57 S   CT   _C26    67     1.57828   110.81825  -178.20659
   65    64 S   Cl   CL35    68     1.86117   108.24087    63.60342
   66    59 S   C5BC _C4_    95     1.41521   106.68974  -180.00000
   67    66 S   HA   _H36    96     1.08044   127.60608   179.95577
   68    61 S   CT   _C15    54     1.52697   112.27374  -178.67264
   69    68 S   HC   _H42    55     1.09642   109.70071   -69.83053
   70    68 S   HC   _H43    56     1.09698   108.67412   174.71309
   71    64 S   CT   _C22    69     1.56644   110.47265   -50.42026
   72    71 S   HC   _H53    70     1.09705   109.22737   167.61130
   73    66 S   C5A  _C6_    97     1.37383   106.08822    -0.00000
   74    73 S   HA   _H38    98     1.08031   133.80436   179.98022
   75    68 S   CM   _C11    57     1.50887   111.64146    51.57353
   76    71 S   CT   _C18    71     1.55129   114.40549    47.32747
   77    76 S   HC   _H48    72     1.09559   108.32427    71.92892
   78    76 S   HC   _H49    73     1.09562   108.38207  -173.14239
   79    71 S   OH   _O34    79     1.42311   111.32747   -76.22011
   80    79 S   HO   _H65    80     0.97257   107.92197  -174.46363
   81    56 S   OA   _O33    99     1.36750   117.63102   179.09043
   82    75 S   CM   _C9_    58     1.34294   120.36175   123.93428
   83    82 S   HC   _H40    59     1.08470   121.95895     1.08173
   84    41 S   CT   _C25    74     1.58482   112.37139   -64.93868
   85    82 S   CO4  _C12    60     1.47795   121.57223  -178.31739
   86    85 S   O    _O28    61     1.22623   121.08226  -179.43042
   87    84 S   CT   _C29    75     1.55577   110.10714   -45.09291
   88    87 S   HC   _H60    76     1.09376   113.00227   -41.79289
   89    87 S   HC   _H61    77     1.09130   113.19024  -162.04255
   90    87 S   HC   _H62    78     1.09542   110.74778    77.94411
   91    85 S   CM   _C8_    62     1.47515   117.84991     0.73701
   92    91 S   HC   _H39    63     1.08362   117.79853   179.66080
   93    91 S   CM   _C10    64     1.33729   120.62150    -0.64102
   94    93 S   HC   _H41    65     1.08797   117.51012  -179.05477
   95    75 S   CT   _C23    66     1.53781   116.14532   -54.58123
   96    95 S   CT   _C28    81     1.55045   106.73403   -68.49509
   97    96 S   HC   _H57    82     1.09343   112.99397    73.71382
   98    96 S   HC   _H58    83     1.09868   111.02765   -46.12863
   99    96 S   HC   _H59    84     1.09532   112.56403  -164.35337
  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   6   5   4   3
   8   4   3   2   1   1  12   4  25  16  10  11  15   6   5   5
   2   1   1   8   3  19   7   7  19   9   6   4  12   6   5  20
   8   4   3   9   4   3  12   7   2   1  12  10   4   3   3   1
   1   8   4   4   6   3   3   2   1   1   5   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    84    44  
   35    39    40    41  
   39    40    41  
   37    38  
   38  
    0  
   40    41    42    43    45    54    76    84    87    48    44    52  
   41    42    84    44  
   42    43    45    46    47    54    55    57    71    76    77    78    84    87    88    89    90    48    49    50    51    44    52    53    56  
   43    45    46    47    54    55    57    76    84    87    48    49    50    51    44    52  
   45    46    47    54    84    48    49    50    51    44  
   52    53    56    59    81    45    48    54    76    84    87  
   46    47    54    55    57    58    61    64    76    84    87    48    49    50    51  
   47    54    55    57    84    48  
   54    55    57    84    48  
   49    50    51    54    84  
   50    51  
   51  
    0  
   53    56    59    60    66    73    81    84  
   56    59    81  
   55    57    58    61    62    63    68    95    64    65    71    76    77    78    84    87    88    89    90  
   57    58    61    64    76    84    87  
   59    60    66    67    73    74    81  
   58    61    62    63    68    69    70    75    93    95    64    65    71    72    76    84    87    79    96  
   61    62    63    68    95    64    65    71    84  
   60    66    67    73    74    81  
   66    67    73    81  
   62    63    68    69    70    75    82    95    64    65    71    84  
   63    68    69    70    75    64  
   68    69    70    75    64  
   65    71    72    76    77    78    84    79    80    96    97    98    99    68    75    82    91    93    94    95  
   71    72    76    79    96    75    93    95  
   67    73    74    81  
   73    74    81  
   69    70    75    82    83    85    93    95    96  
   70    75    82    95  
   75    82    95  
   72    76    77    78    84    87    79    80    96    75    93    95  
   76    77    78    84    79    80    95  
   74    81  
   81  
   82    83    85    86    91    93    94    95    96    97    98    99  
   77    78    84    87    88    89    90    79    80    95  
   78    84    87    79  
   84    87    79  
   80    84    95  
    0  
    0  
   83    85    86    91    92    93    95    96  
   85    86    91    95  
   87    88    89    90  
   86    91    92    93    94    95  
   91    92    93  
   88    89    90  
   89    90  
   90  
    0  
   92    93    94    95    96  
   93    94    95  
   94    95    96    97    98    99  
   95    96  
   96    97    98    99  
   97    98    99  
   98    99  
   99  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   41   3.5000   0.0660   0.298000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700   0.008000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   66   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   81   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   82   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   85   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   92   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   94   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.522
   39    40   570.000  1.229
   39    41   317.000  1.522
   41    42   268.000  1.529
   41    84   268.000  1.529
   41    44   320.000  1.410
   42    43   340.000  1.090
   42    45   268.000  1.529
   42    48   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    54   268.000  1.529
   54    55   340.000  1.090
   54    57   268.000  1.529
   54    84   268.000  1.529
   57    58   340.000  1.090
   57    61   268.000  1.529
   57    64   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    75   317.000  1.510
   75    82   549.000  1.340
   75    95   317.000  1.510
   82    83   340.000  1.080
   82    85   320.000  1.462
   85    86   570.000  1.229
   85    91   320.000  1.462
   91    92   340.000  1.080
   91    93   549.000  1.340
   93    94   340.000  1.080
   93    95   317.000  1.510
   95    64   268.000  1.529
   95    96   268.000  1.529
   64    65   245.000  1.781
   64    71   268.000  1.529
   71    72   340.000  1.090
   71    76   268.000  1.529
   71    79   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    84   268.000  1.529
   84    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   79    80   553.000  0.945
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   44    52   214.000  1.327
   52    53   570.000  1.229
   52    56   335.000  1.450
   56    59   546.000  1.367
   56    81   340.000  1.360
   59    60   367.000  1.080
   59    66   469.000  1.424
   66    67   367.000  1.080
   66    73   546.000  1.367
   73    74   367.000  1.080
   73    81   340.000  1.360
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  110.18000
   33    39    40    80.00000  120.40000
   33    39    41    70.00000  116.00000
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    41    42    63.00000  111.10000
   39    41    84    63.00000  111.10000
   39    41    44    90.00000  108.74100
   41    39    40    80.00000  120.40000
   41    42    43    37.50000  110.70000
   41    42    45    58.35000  112.70000
   41    42    48    58.35000  112.70000
   41    84    54    58.35000  112.70000
   41    84    76    58.35000  112.70000
   41    84    87    58.35000  112.70000
   41    44    52    83.00000  116.90000
   42    45    46    37.50000  110.70000
   42    45    47    37.50000  110.70000
   42    45    54    58.35000  112.70000
   42    48    49    37.50000  110.70000
   42    48    50    37.50000  110.70000
   42    48    51    37.50000  110.70000
   45    42    43    37.50000  110.70000
   45    54    55    37.50000  110.70000
   45    54    57    58.35000  112.70000
   45    54    84    58.35000  112.70000
   47    45    46    33.00000  107.80000
   54    45    46    37.50000  110.70000
   54    45    47    37.50000  110.70000
   54    57    58    37.50000  110.70000
   54    57    61    58.35000  112.70000
   54    57    64    58.35000  112.70000
   54    84    76    58.35000  112.70000
   54    84    87    58.35000  112.70000
   57    54    55    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    68    58.35000  112.70000
   57    64    95    58.35000  112.70000
   57    64    65    69.00000  109.80000
   57    64    71    58.35000  112.70000
   61    57    58    37.50000  110.70000
   61    68    69    37.50000  110.70000
   61    68    70    37.50000  110.70000
   61    68    75    70.00000  112.02700
   63    61    62    33.00000  107.80000
   68    61    62    37.50000  110.70000
   68    61    63    37.50000  110.70000
   68    75    82    70.00000  124.00000
   68    75    95    65.00000  117.92700
   70    68    69    33.00000  107.80000
   75    68    69    35.00000  109.50000
   75    68    70    35.00000  109.50000
   75    82    83    35.00000  120.00000
   75    82    85    65.00000  118.96000
   75    95    93    70.00000  110.12100
   75    95    64    70.00000  112.02700
   75    95    96    70.00000  112.02700
   82    85    86    80.00000  123.72100
   82    85    91    65.00000  118.65900
   85    82    83    40.00000  117.72500
   85    91    92    40.00000  117.72500
   85    91    93    65.00000  118.96000
   91    85    86    80.00000  123.72100
   91    93    94    35.00000  120.00000
   91    93    95    70.00000  124.00000
   93    91    92    35.00000  120.00000
   93    95    64    70.00000  112.02700
   93    95    96    70.00000  112.02700
   95    75    82    70.00000  124.00000
   95    93    94    35.00000  117.00000
   95    64    65    69.00000  109.80000
   95    64    71    58.35000  112.70000
   95    96    97    37.50000  110.70000
   95    96    98    37.50000  110.70000
   95    96    99    37.50000  110.70000
   64    57    58    37.50000  110.70000
   64    57    61    58.35000  112.70000
   64    71    72    37.50000  110.70000
   64    71    76    58.35000  112.70000
   64    71    79    50.00000  109.50000
   71    64    65    69.00000  109.80000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    84    58.35000  112.70000
   71    79    80    55.00000  108.50000
   76    71    72    37.50000  110.70000
   76    84    87    58.35000  112.70000
   78    76    77    33.00000  107.80000
   84    41    42    58.35000  112.70000
   84    54    55    37.50000  110.70000
   84    54    57    58.35000  112.70000
   84    76    77    37.50000  110.70000
   84    76    78    37.50000  110.70000
   84    87    88    37.50000  110.70000
   84    87    89    37.50000  110.70000
   84    87    90    37.50000  110.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   79    71    72    35.00000  109.50000
   79    71    76    50.00000  109.50000
   96    95    64    58.35000  112.70000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   48    42    43    37.50000  110.70000
   48    42    45    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   44    41    42    50.00000  109.50000
   44    41    84    50.00000  109.50000
   44    52    53    83.00000  123.40000
   44    52    56    81.00000  111.40000
   52    56    59    55.00000  130.80000
   52    56    81    80.00000  119.06000
   56    52    53    80.00000  122.40000
   56    59    60    35.00000  125.70000
   56    59    66    70.00000  107.30000
   56    81    73    70.00000  106.50000
   59    66    67    35.00000  127.50000
   59    66    73    70.00000  107.30000
   66    59    60    35.00000  127.50000
   66    73    74    35.00000  132.10000
   66    73    81    70.00000  110.60000
   73    66    67    35.00000  125.70000
   81    56    59    70.00000  110.60000
   81    73    74    35.00000  113.40000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   29    33    39    41   0.65300  1.0 1.0
   29    33    39    41  -0.03850 -1.0 2.0
   29    33    39    41   0.33900  1.0 3.0
   33    39    41    42   0.60050  1.0 1.0
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   59    66   -73    81   3.62500 -1.0 2.0
   60    59    66    67   3.62500 -1.0 2.0
   60    59    66    73   3.62500 -1.0 2.0
   66    73   -81    56   3.62500 -1.0 2.0
   67    66    73    74   3.62500 -1.0 2.0
   67    66    73    81   3.62500 -1.0 2.0
   74    73    81    56   3.62500 -1.0 2.0
   81    56    59    60   3.62500 -1.0 2.0
   81    56   -59    66   3.62500 -1.0 2.0
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
   38    30    36    37  10.50000 -1.0 2.0
   33    41    39    40  10.50000 -1.0 2.0
   68    95    75    82   1.10000 -1.0 2.0
   85    83    82    75   1.10000 -1.0 2.0
   82    91    85    86  10.50000 -1.0 2.0
   85    92    91    93   1.10000 -1.0 2.0
   95    94    93    91   1.10000 -1.0 2.0
   44    56    52    53  10.50000 -1.0 2.0
   59    81    56    52   4.00000 -1.0 2.0
   66    60    59    56   1.10000 -1.0 2.0
   73    67    66    59   1.10000 -1.0 2.0
   81    74    73    66   1.10000 -1.0 2.0
END
