* LIGAND DATABASE FILE (OPLS2005)
*
001      99   102    196    316     590
    1     0 S   NP   _N1_     1    29.96184    91.85027   -26.33301
    2     1 S   H    _HN1     2     1.02796   104.62748  -138.59808
    3     1 S   H    _H1_     3     1.02963   107.98724   -23.34145
    4     1 S   H    _H2_     4     1.02822     3.33554    51.33169
    5     1 S   CT   _CA1     5     1.50152   113.02358    99.07813
    6     5 S   HC   _HA1     6     1.09558   105.23715    56.71347
    7     5 S   CO3  _C1_     7     1.53872   112.35335   -63.65779
    8     7 S   O2Z  _O11     8     1.26406   115.05116   -41.71989
    9     7 S   O2Z  _O12     9     1.26227   114.94897   137.31089
   10     5 S   CT   _CB1    10     1.53026   107.33890   174.84535
   11    10 S   HC   HB11    11     1.09847   109.69398   -47.71951
   12    10 S   HC   HB12    12     1.09723   110.04755    68.60599
   13    10 S   CT   _CG1    13     1.53092   112.80853  -168.51559
   14    13 S   HC   HG11    14     1.09525   110.90981   -61.74129
   15    13 S   HC   HG12    15     1.09628   109.63401    57.51157
   16    13 S   C    _CD1    16     1.51773   111.69563   178.63743
   17    16 S   O    _OE1    17     1.22818   122.92262    19.64994
   18    16 S   N    _N2_    18     1.38703   112.39912  -161.45063
   19    18 S   H    _HN2    19     1.01563   119.27358     3.23204
   20    18 S   CT1  _CA2    20     1.46125   122.91748  -179.71129
   21    20 S   HC   _HA2    21     1.09624   108.88226    11.23883
   22    20 S   C    _C2_    22     1.53719   110.15959  -104.03493
   23    22 S   O    _O2_    23     1.23128   121.81912  -154.50584
   24    20 S   CT   _CB2    32     1.53615   112.33086   132.85693
   25    24 S   HC   HB21    33     1.09669   109.45058    73.48350
   26    24 S   HC   HB22    34     1.09595   110.33563  -169.84106
   27    22 S   N    _N3_    24     1.38171   114.27405    32.73956
   28    27 S   H    _HN3    25     1.01519   119.69195    -3.42125
   29    24 S   S    _SG2    35     1.82842   116.07539   -46.19184
   30    27 S   CT   _CA3    26     1.45290   123.30055   177.13283
   31    30 S   HC   HA31    27     1.09548   107.54587   -63.86149
   32    30 S   HC   HA32    28     1.09555   107.96470    52.59965
   33    29 S   CT   _C22    36     1.82615   100.81284   -58.85272
   34    33 S   HC   _H21    37     1.09452   107.75195   -70.18453
   35    33 S   HC   _H22    38     1.09174   109.44296    47.71402
   36    30 S   CO3  _C3_    29     1.52981   114.02163   174.56466
   37    36 S   O2Z  _O31    30     1.26389   116.06900    -0.58148
   38    36 S   O2Z  _O32    31     1.26421   114.42540   179.47810
   39    33 S   CT   _C21    39     1.53263   110.58687   169.12889
   40    39 S   HC   _H9_    40     1.09549   111.90272    47.47386
   41    39 S   CO4  _C20    41     1.52702   111.18270   -76.58020
   42    41 S   O    _O36    42     1.22480   124.06371    68.57529
   43    39 S   CT   _C15    59     1.54864   112.17151   172.01151
   44    43 S   HC   _H8_    60     1.09537   111.84964   -34.41820
   45    41 S   CT   _C17    43     1.53429   111.69126  -113.59292
   46    45 S   CT   _C16    61     1.53292    99.07835    23.22664
   47    46 S   HC   _H17    62     1.08995   114.28347  -163.94087
   48    46 S   HC   _H18    63     1.09753   111.50123    74.99754
   49    45 S   CT   _C18    44     1.51616   110.05001   141.66717
   50    49 S   HC   _H19    45     1.09581   111.84227    50.73013
   51    49 S   HC   _H20    46     1.09492   111.33597   -68.39128
   52    49 S   CO4  _C19    47     1.50191   109.98048   170.44690
   53    52 S   O    _O35    48     1.22746   119.89756   121.52520
   54    52 S   CT   _C10    49     1.53246   115.22090   -60.00612
   55    54 S   HC   _H5_    50     1.10333   102.72349   -51.18112
   56    54 S   CT   _C11    51     1.57504   110.47709    59.84661
   57    45 S   CT   _C12    52     1.56321   107.00344   -94.70918
   58    57 S   HC   _H6_    53     1.10126   103.14484   -54.28853
   59    56 S   CT   _C6_    66     1.59173   107.60286  -169.10185
   60    59 S   HC   _H3_    67     1.09781   108.20708  -143.38314
   61    56 S   CT   _C23    96     1.54774   109.71036    73.12595
   62    61 S   HC   _H24    97     1.09183   112.23687  -168.36230
   63    61 S   HC   _H25    98     1.09142   112.61913    73.25872
   64    61 S   HC   _H26    99     1.09194   112.12498   -46.88166
   65    57 S   CT   _C13    54     1.57042   109.97105    56.36956
   66    65 S   HC   _H7_    55     1.09845   106.44038   -84.50928
   67    59 S   CT   _C7_    68     1.53753   115.05314   -21.85288
   68    67 S   HC   _H13    69     1.09880   110.68257    88.18048
   69    67 S   HC   _H14    70     1.09754   109.02221  -158.52298
   70    59 S   OS   _O34    89     1.45116   110.83942    97.49257
   71    65 S   CT   _C14    56     1.53929   115.21319    34.01730
   72    71 S   HC   _H15    57     1.09787   108.74457  -161.91965
   73    71 S   HC   _H16    58     1.09728   109.72041    83.85332
   74    65 S   OH   _O37    64     1.41992   113.31513   160.30298
   75    74 S   HO   _H23    65     0.97242   107.92036   176.00487
   76    67 S   CT   _C8_    71     1.51768   113.07648   -35.50987
   77    76 S   HC   _H4_    72     1.09542   108.88122   -56.40762
   78    70 S   CO4  _C5_    90     1.36257   118.10488   151.89682
   79    78 S   O    _O33    91     1.22300   126.57579     1.19272
   80    54 S   CT   _C9_    73     1.58261   115.49346  -164.76269
   81    76 S   OS   _O38    82     1.44746   109.27777  -173.81027
   82    78 S   CT   _C4_    92     1.49827   109.33365  -178.72145
   83    82 S   HC   _H10    93     1.09287   109.82934   -61.25382
   84    82 S   HC   _H11    94     1.09374   109.37462   179.65113
   85    82 S   HC   _H12    95     1.09303   109.78511    60.62659
   86    80 S   CT   _C24    74     1.55405   107.21928    76.88303
   87    86 S   HC   _H27    75     1.09591   111.85525  -174.95962
   88    86 S   HC   _H28    76     1.09547   111.39781    64.40974
   89    86 S   HC   _H29    77     1.09588   111.14447   -55.57164
   90    80 S   CT   _C25    78     1.54823   115.74229   -41.26797
   91    90 S   HC   _H30    79     1.09718   110.80748  -167.15013
   92    90 S   HC   _H31    80     1.09401   112.52840    74.98187
   93    90 S   HC   _H32    81     1.09219   112.32157   -47.38963
   94    81 S   CO4  _C26    83     1.36252   117.82876    84.27353
   95    94 S   O    _O39    84     1.22310   126.49053    -0.18663
   96    94 S   CT   _C27    85     1.49836   109.43848   179.87489
   97    96 S   HC   _H33    86     1.09293   109.82705   -60.59173
   98    96 S   HC   _H34    87     1.09378   109.36761  -179.61948
   99    96 S   HC   _H35    88     1.09289   109.82147    61.31010
  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   7   5   4   3
  11   5   4   2   1   1  15   7  16   5  13   8  18  13   4   3
  11   5   4  11   4  25   8  21  17   6  17   7   7   2   1   1
   6   5  11   6   5   7   4   2   1   1   1  14   5   5   4  10
   8   3   2   1   1   7   3   2   1   3   2   1   1   5   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    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    71    43    44    46  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    45    49    57    65    71    72    73    43    44    46    47    48  
   41    42    45    71    43    44    46  
   42    45    49    50    51    52    56    57    58    65    71    43    44    46    47    48  
   45    49    57    43    46  
   44    46    47    48    74    45    49    57    65    66    71    72    73  
   46    47    48    45    65    71    72    73  
   49    50    51    52    53    54    56    57    58    65    66    71    46    47    48    74    59    61  
   47    48    49    50    51    52    56    57    58    65    71    72    73  
   48    49    57    71  
   49    57    71  
   50    51    52    53    54    55    56    57    58    65    80  
   51    52    53    54    57  
   52    53    54    57  
   53    54    55    56    57    59    76    80    86    90    61  
   54    55    56    80  
   55    56    57    58    65    59    60    67    76    77    80    86    87    88    89    90    91    92    93    81    70    61    62    63    64  
   56    57    59    76    80    86    90    61  
   57    58    65    66    71    74    59    60    67    68    69    76    80    86    90    70    78    61    62    63    64  
   58    65    66    71    72    73    74    75    59    60    67    80    70    61    62    63    64  
   65    66    71    74    59    61  
   60    67    68    69    76    77    80    81    70    78    79    82    61    62    63    64    65  
   67    68    69    76    70    78    61  
   62    63    64    65    67    70    80  
   63    64  
   64  
    0  
   66    71    72    73    74    75  
   71    72    73    74    75  
   68    69    76    77    80    86    90    81    94    70    78  
   69    76    77    80    81    70  
   76    77    80    81    70  
   78    79    82    83    84    85    76  
   72    73    74    75  
   73    74  
   74  
   75  
    0  
   77    80    86    87    88    89    90    91    92    93    81    94    95    96  
   80    86    90    81    94  
   79    82    83    84    85  
   82    83    84    85  
   86    87    88    89    90    91    92    93    81    94  
   94    95    96    97    98    99    86    90  
   83    84    85  
   84    85  
   85  
    0  
   87    88    89    90    91    92    93  
   88    89    90  
   89    90  
   90  
   91    92    93  
   92    93  
   93  
    0  
   95    96    97    98    99  
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.060000   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   81   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   95   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    43   268.000  1.529
   41    42   570.000  1.229
   41    45   317.000  1.522
   45    49   268.000  1.529
   45    57   268.000  1.529
   45    46   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   317.000  1.522
   52    53   570.000  1.229
   52    54   317.000  1.522
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    80   268.000  1.529
   56    57   268.000  1.529
   56    59   268.000  1.529
   56    61   268.000  1.529
   57    58   340.000  1.090
   57    65   268.000  1.529
   65    66   340.000  1.090
   65    71   268.000  1.529
   65    74   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    43   268.000  1.529
   43    44   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   74    75   553.000  0.945
   59    60   340.000  1.090
   59    67   268.000  1.529
   59    70   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    76   268.000  1.529
   76    77   340.000  1.090
   76    80   268.000  1.529
   76    81   320.000  1.410
   80    86   268.000  1.529
   80    90   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   81    94   214.000  1.327
   94    95   570.000  1.229
   94    96   317.000  1.522
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   70    78   214.000  1.327
   78    79   570.000  1.229
   78    82   317.000  1.522
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   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    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  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    43    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    45    70.00000  116.00000
   39    43    71    58.35000  112.70000
   39    43    44    37.50000  110.70000
   39    43    46    58.35000  112.70000
   41    39    40    35.00000  109.50000
   41    45    49    63.00000  111.10000
   41    45    57    63.00000  111.10000
   41    45    46    63.00000  111.10000
   45    41    42    80.00000  120.40000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    52    63.00000  111.10000
   45    57    56    58.35000  112.70000
   45    57    58    37.50000  110.70000
   45    57    65    58.35000  112.70000
   45    46    43    58.35000  112.70000
   45    46    47    37.50000  110.70000
   45    46    48    37.50000  110.70000
   49    52    53    80.00000  120.40000
   49    52    54    70.00000  116.00000
   51    49    50    33.00000  107.80000
   52    49    50    35.00000  109.50000
   52    49    51    35.00000  109.50000
   52    54    55    35.00000  109.50000
   52    54    56    63.00000  111.10000
   52    54    80    63.00000  111.10000
   54    52    53    80.00000  120.40000
   54    56    57    58.35000  112.70000
   54    56    59    58.35000  112.70000
   54    56    61    58.35000  112.70000
   54    80    76    58.35000  112.70000
   54    80    86    58.35000  112.70000
   54    80    90    58.35000  112.70000
   56    54    55    37.50000  110.70000
   56    57    58    37.50000  110.70000
   56    57    65    58.35000  112.70000
   56    59    60    37.50000  110.70000
   56    59    67    58.35000  112.70000
   56    59    70    50.00000  109.50000
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    64    37.50000  110.70000
   57    45    49    58.35000  112.70000
   57    65    66    37.50000  110.70000
   57    65    71    58.35000  112.70000
   57    65    74    50.00000  109.50000
   65    57    58    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    43    58.35000  112.70000
   65    74    75    55.00000  108.50000
   71    65    66    37.50000  110.70000
   71    43    44    37.50000  110.70000
   71    43    46    58.35000  112.70000
   73    71    72    33.00000  107.80000
   43    39    40    37.50000  110.70000
   43    39    41    63.00000  111.10000
   43    71    72    37.50000  110.70000
   43    71    73    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   46    45    49    58.35000  112.70000
   46    45    57    58.35000  112.70000
   46    43    44    37.50000  110.70000
   48    46    47    33.00000  107.80000
   74    65    66    35.00000  109.50000
   74    65    71    50.00000  109.50000
   59    56    57    58.35000  112.70000
   59    67    68    37.50000  110.70000
   59    67    69    37.50000  110.70000
   59    67    76    58.35000  112.70000
   59    70    78    83.00000  116.90000
   67    59    60    37.50000  110.70000
   67    76    77    37.50000  110.70000
   67    76    80    58.35000  112.70000
   67    76    81    50.00000  109.50000
   69    67    68    33.00000  107.80000
   76    67    68    37.50000  110.70000
   76    67    69    37.50000  110.70000
   76    80    86    58.35000  112.70000
   76    80    90    58.35000  112.70000
   76    81    94    83.00000  116.90000
   80    54    55    37.50000  110.70000
   80    54    56    58.35000  112.70000
   80    76    77    37.50000  110.70000
   80    86    87    37.50000  110.70000
   80    86    88    37.50000  110.70000
   80    86    89    37.50000  110.70000
   80    90    91    37.50000  110.70000
   80    90    92    37.50000  110.70000
   80    90    93    37.50000  110.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   90    80    86    58.35000  112.70000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   81    76    77    35.00000  109.50000
   81    76    80    50.00000  109.50000
   81    94    95    83.00000  123.40000
   81    94    96    81.00000  111.40000
   94    96    97    35.00000  109.50000
   94    96    98    35.00000  109.50000
   94    96    99    35.00000  109.50000
   96    94    95    80.00000  120.40000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   70    59    60    35.00000  109.50000
   70    59    67    50.00000  109.50000
   70    78    79    83.00000  123.40000
   70    78    82    81.00000  111.40000
   78    82    83    35.00000  109.50000
   78    82    84    35.00000  109.50000
   78    82    85    35.00000  109.50000
   82    78    79    80.00000  120.40000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   61    56    57    58.35000  112.70000
   61    56    59    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    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    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   0.15000  1.0 3.0
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   61    56    57    65   0.56750  1.0 1.0
   61    56    57    65  -0.07550 -1.0 2.0
   61    56    57    65   0.20000  1.0 3.0
   61    56    59    60   0.15000  1.0 3.0
   61    56    59    67   0.56750  1.0 1.0
   61    56    59    67  -0.07550 -1.0 2.0
   61    56    59    67   0.20000  1.0 3.0
   61    56    59    70   0.62750  1.0 1.0
   61    56    59    70  -0.30950 -1.0 2.0
   61    56    59    70   0.27300  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
   37    30    36    38  10.50000 -1.0 2.0
   39    45    41    42  10.50000 -1.0 2.0
   49    54    52    53  10.50000 -1.0 2.0
   81    96    94    95  10.50000 -1.0 2.0
   70    82    78    79  10.50000 -1.0 2.0
END
