* LIGAND DATABASE FILE (OPLS2005)
*
001      97   102    201    338     610
    1     0 S   NP   _N1_     1    28.67735    95.35877   -21.06891
    2     1 S   H    _HN1     2     1.02845    35.26801   150.62202
    3     1 S   H    _H1_     3     1.02796    86.67262   -81.62061
    4     1 S   H    _H2_     4     1.02960    88.03628    26.79755
    5     1 S   CT   _CA1     5     1.50098   146.07813   152.07561
    6     5 S   HC   _HA1     6     1.09557   105.30382    58.35217
    7     5 S   CO3  _C1_     7     1.53830   112.42140   -62.12589
    8     7 S   O2Z  _O11     8     1.26399   115.14507   -42.87917
    9     7 S   O2Z  _O12     9     1.26261   115.12157   136.71982
   10     5 S   CT   _CB1    10     1.53145   107.45959   176.54152
   11    10 S   HC   HB11    11     1.09819   109.69253   -48.12186
   12    10 S   HC   HB12    12     1.09829   110.22585    68.52089
   13    10 S   CT   _CG1    13     1.53028   112.62496  -169.13195
   14    13 S   HC   HG11    14     1.09517   110.36191   -58.28133
   15    13 S   HC   HG12    15     1.09626   110.07335    60.85938
   16    13 S   C    _CD1    16     1.51821   112.27204  -178.55707
   17    16 S   O    _OE1    17     1.22717   123.19973    -5.78289
   18    16 S   N    _N2_    18     1.38640   111.69572   173.99828
   19    18 S   H    _HN2    19     1.01582   119.04314     2.73115
   20    18 S   CT1  _CA2    20     1.46342   123.38122  -176.60794
   21    20 S   HC   _HA2    21     1.09727   109.38605   -13.60561
   22    20 S   C    _C2_    22     1.53338   108.33267  -129.48942
   23    22 S   O    _O2_    23     1.23005   122.24079  -144.88463
   24    20 S   CT   _CB2    32     1.53534   111.24359   108.41410
   25    24 S   HC   HB21    33     1.09568   109.42240    56.22560
   26    24 S   HC   HB22    34     1.09486   110.70378   175.05688
   27    22 S   N    _N3_    24     1.38502   113.31881    42.35751
   28    27 S   H    _HN3    25     1.01528   118.93842    -0.41965
   29    24 S   S    _SG2    35     1.82776   111.44595   -65.08828
   30    27 S   CT   _CA3    26     1.45452   123.42225   175.13731
   31    30 S   HC   HA31    27     1.09523   109.22702    24.59816
   32    30 S   HC   HA32    28     1.09494   107.12535   141.60700
   33    29 S   CT   _C16    36     1.84845   100.10190   155.66368
   34    33 S   HC   _H6_    37     1.08922   106.46062   -36.70660
   35    30 S   CO3  _C3_    29     1.52927   113.11716   -98.86676
   36    35 S   O2Z  _O31    30     1.26402   115.40663   -44.30293
   37    35 S   O2Z  _O32    31     1.26355   114.97983   136.62922
   38    33 S   CT   _C15    38     1.53655   109.66198    77.01581
   39    38 S   HC   _H5_    39     1.09956   107.41770   -66.33132
   40    33 S   CT   _C17    75     1.55882   111.93209  -153.54140
   41    38 S   CT   _C14    40     1.51296   113.79828   172.92138
   42    41 S   HC   _H4_    41     1.09889   108.21764    78.32799
   43    40 S   OH   _O34    76     1.43662   107.26173   -57.93323
   44    43 S   HO   _H29    77     0.97344   107.63448    57.71905
   45    41 S   CT   _C13    42     1.53530   102.94415  -163.41259
   46    45 S   CO4  _C23    43     1.52568   101.36022    25.81950
   47    46 S   O    _O36    44     1.22192   125.56360   171.21036
   48    45 S   CO   _C12    46     1.55347   108.77325   143.16343
   49    45 S   CT   _C24    94     1.53204   111.89551   -90.00373
   50    49 S   HC   _H30    95     1.09460   111.42262   -64.16558
   51    49 S   HC   _H31    96     1.09545   111.43473   175.07682
   52    49 S   HC   _H32    97     1.09584   111.58919    56.15939
   53    38 S   OS   _O35    45     1.42704   116.18286    52.06388
   54    48 S   CT   _C11    47     1.53951   111.07984    47.05098
   55    54 S   HC   _H18    48     1.09770   110.15518   178.24565
   56    54 S   HC   _H19    49     1.09620   111.00999    61.40832
   57    48 S   OH   _O38    92     1.42098   111.94198   168.18792
   58    57 S   HO   _H35    93     0.97257   107.26988    47.09069
   59    54 S   CT   _C10    50     1.53944   109.95073   -61.56858
   60    59 S   HC   _H16    51     1.09562   108.01582   128.29102
   61    59 S   HC   _H17    52     1.09709   109.97778  -115.51082
   62    41 S   CT   _C9_    53     1.55542   116.42309   -43.97729
   63    62 S   CT   _C25    54     1.56000   111.49134   -77.28158
   64    63 S   HC   _H33    55     1.08901   113.65210    61.93560
   65    63 S   HC   _H34    56     1.09627   110.69881  -178.13922
   66    62 S   CT   _C8_    58     1.56517   111.70754    47.00624
   67    66 S   HC   _H3_    59     1.10022   106.14025  -168.69359
   68    48 S   OS   _O37    57     1.43172   110.45630   -69.15900
   69    66 S   CT   _C7_    60     1.54445   113.05369    74.74355
   70    69 S   HC   _H14    61     1.09526   109.99324    56.33299
   71    69 S   HC   _H15    62     1.09471   111.11524   -61.24027
   72    69 S   CT   _C6_    63     1.52969   112.50195   174.59927
   73    72 S   HC   _H12    64     1.09564   108.32135  -179.97202
   74    72 S   HC   _H13    65     1.09752   107.21235   -66.15169
   75    72 S   CT   _C5_    66     1.54365   114.28062    56.51346
   76    75 S   CT   _C20    67     1.55329   112.68359  -156.48237
   77    76 S   HC   _H8_    68     1.09621   110.20864  -163.08154
   78    75 S   CT   _C4_    88     1.53705   111.38997    77.01420
   79    78 S   HC   _H9_    89     1.09456   111.15717  -165.48996
   80    78 S   HC   _H10    90     1.09001   112.81355    74.72221
   81    78 S   HC   _H11    91     1.09123   112.53921   -44.34648
   82    76 S   CT   _C19    69     1.53148   102.60939    80.06673
   83    82 S   HC   _H20    70     1.09474   111.49872   137.90288
   84    82 S   HC   _H21    71     1.09472   113.35611   -99.35298
   85    76 S   NP   _N4_    78     1.52432   117.30738   -40.89745
   86    85 S   H    _H22    79     1.02820   108.05185    58.77888
   87    82 S   OS   _O33    72     1.42987   107.69943    18.69835
   88    85 S   CT   _C21    80     1.51873   111.85700   175.41256
   89    88 S   HC   _H23    81     1.09230   108.52686    62.08592
   90    88 S   HC   _H24    82     1.09371   108.09748  -177.54234
   91    88 S   HC   _H25    83     1.09147   109.14159   -59.38125
   92    85 S   CT   _C22    84     1.50652   115.08485   -60.44150
   93    92 S   HC   _H26    85     1.09252   108.77613   -52.13725
   94    92 S   HC   _H27    86     1.08962   108.71926    70.28557
   95    92 S   HC   _H28    87     1.09404   108.49706  -172.45577
   96    75 S   CT   _C18    73     1.54776   109.90929   -46.87695
   97    96 S   HC   _H7_    74     1.09694   110.31177   172.66693
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  19   8   2   1   1  16   7  20  23   9   9   2  18  11   3  18
   8   2   1   1   1  11   7   6   4   1  10   4   3  11   6   3
   2  12   5   1   9   5   4  14   5   4  16  21  10   8   3   2
   1   9   4   3  11   8   2   7   3   2   1   3   2   1   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    53    66    96    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    45    46    53    62    66    67    69    75    87    96    97    40    43    44  
   38    39    41    53    66    96    40    43  
   36    37  
   37  
    0  
   39    41    42    45    46    47    53    48    59    62    63    66    96    40    43    49  
   41    42    45    46    53    62    40  
   43    44    78    41    53    59    62    63    66    67    69    70    71    72    75    76    82    87    96    97  
   42    45    46    47    53    48    54    59    60    61    62    63    64    65    68    66    67    69    57    49    50    51    52  
   45    46    53    48    59    62    63    66    49  
   44    62    66    67    69    75    87    96    97  
   66    96  
   46    47    53    48    54    55    56    59    62    63    68    66    57    58    49    50    51    52  
   47    53    48    54    62    68    57    49    50    51    52  
   53    48    49  
   54    55    56    59    60    61    62    63    64    65    68    57    58    49    50    51    52    53  
   50    51    52    53    54    57    62    68  
   51    52  
   52  
    0  
   62  
   55    56    59    60    61    62    63    68    66    57    58  
   56    59    60    61    62    68    57  
   59    60    61    62    68    57  
   58    59    63    68  
   68  
   60    61    62    63    64    65    68    66    67    69  
   61    62    63    66  
   62    63    66  
   63    64    65    68    66    67    69    70    71    72    96  
   64    65    68    66    67    69  
   65    68    66  
   68    66  
   67    69    70    71    72    73    74    75    87    96    97    68  
   69    70    71    72    96  
    0  
   70    71    72    73    74    75    76    96    78  
   71    72    73    74    75  
   72    73    74    75  
   73    74    75    76    77    82    87    96    97    85    78    79    80    81  
   74    75    76    96    78  
   75    76    96    78  
   76    77    82    83    84    87    96    97    85    86    88    92    78    79    80    81  
   77    82    83    84    87    96    97    85    86    88    89    90    91    92    93    94    95    78    79    80    81  
   82    83    84    87    96    85    86    88    92    78  
   79    80    81    82    85    87    96    97  
   80    81    96  
   81    96  
   96  
   83    84    87    96    97    85    86    88    92  
   84    87    96    85  
   87    96    85  
   86    88    89    90    91    92    93    94    95    87    96  
   88    89    90    91    92    93    94    95  
   96    97  
   89    90    91    92    93    94    95  
   90    91    92  
   91    92  
   92  
   93    94    95  
   94    95  
   95  
    0  
   97  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.5000   0.0660  -0.014400   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   3.5000   0.0660   0.364400   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   85   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   86   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   87   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   88   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   92   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   96   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    53   320.000  1.410
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    62   268.000  1.529
   45    46   317.000  1.522
   45    48   250.000  1.527
   45    49   268.000  1.529
   46    47   570.000  1.229
   46    53   214.000  1.327
   48    54   250.000  1.527
   48    68   320.000  1.380
   48    57   380.000  1.407
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   268.000  1.529
   62    66   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   320.000  1.410
   66    67   340.000  1.090
   66    69   268.000  1.529
   66    40   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   268.000  1.529
   75    96   268.000  1.529
   75    78   268.000  1.529
   76    77   340.000  1.090
   76    82   268.000  1.529
   76    85   367.000  1.471
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    87   320.000  1.410
   87    96   320.000  1.410
   96    97   340.000  1.090
   96    40   268.000  1.529
   40    43   320.000  1.410
   43    44   553.000  0.945
   85    86   434.000  1.010
   85    88   367.000  1.471
   85    92   367.000  1.471
   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
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   57    58   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    53    50.00000  109.50000
   33    40    66    58.35000  112.70000
   33    40    96    58.35000  112.70000
   33    40    43    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    45    58.35000  112.70000
   38    41    62    58.35000  112.70000
   38    53    46    83.00000  116.90000
   41    38    39    37.50000  110.70000
   41    45    46    63.00000  111.10000
   41    45    48    75.00000  109.43000
   41    45    49    58.35000  112.70000
   41    62    59    58.35000  112.70000
   41    62    63    58.35000  112.70000
   41    62    66    58.35000  112.70000
   45    41    42    37.50000  110.70000
   45    46    47    80.00000  120.40000
   45    46    53    81.00000  111.40000
   45    48    54    65.00000  112.71400
   45    48    68    90.00000  108.56700
   45    48    57    90.00000  110.19100
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    52    37.50000  110.70000
   53    38    39    35.00000  109.50000
   53    38    41    50.00000  109.50000
   53    46    47    83.00000  123.40000
   48    45    46    63.00000  111.10000
   48    54    55    45.00000  108.72000
   48    54    56    45.00000  108.72000
   48    54    59    75.00000  109.43000
   48    68    63    60.00000  109.50000
   48    57    58    70.00000  107.92000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    62    58.35000  112.70000
   56    54    55    33.00000  107.80000
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   59    62    63    58.35000  112.70000
   59    62    66    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    41    42    37.50000  110.70000
   62    41    45    58.35000  112.70000
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    63    64    37.50000  110.70000
   62    63    65    37.50000  110.70000
   62    63    68    50.00000  109.50000
   62    66    67    37.50000  110.70000
   62    66    69    58.35000  112.70000
   62    66    40    58.35000  112.70000
   65    63    64    33.00000  107.80000
   68    48    54    90.00000  108.56700
   68    63    64    35.00000  109.50000
   68    63    65    35.00000  109.50000
   66    62    63    58.35000  112.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    58.35000  112.70000
   66    40    96    58.35000  112.70000
   66    40    43    50.00000  109.50000
   69    66    67    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    75    76    58.35000  112.70000
   72    75    96    58.35000  112.70000
   72    75    78    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    76    77    37.50000  110.70000
   75    76    82    58.35000  112.70000
   75    76    85    80.00000  111.20000
   75    96    87    50.00000  109.50000
   75    96    97    37.50000  110.70000
   75    96    40    58.35000  112.70000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    37.50000  110.70000
   76    82    83    37.50000  110.70000
   76    82    84    37.50000  110.70000
   76    82    87    50.00000  109.50000
   76    85    86    35.00000  109.50000
   76    85    88    75.00000  113.01200
   76    85    92    75.00000  113.01200
   82    76    77    37.50000  110.70000
   82    87    96    60.00000  109.50000
   84    82    83    33.00000  107.80000
   87    82    83    35.00000  109.50000
   87    82    84    35.00000  109.50000
   87    96    97    35.00000  109.50000
   87    96    40    50.00000  109.50000
   96    75    76    58.35000  112.70000
   96    40    43    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    66    67    37.50000  110.70000
   40    66    69    58.35000  112.70000
   40    96    97    37.50000  110.70000
   40    43    44    55.00000  108.50000
   85    76    77    35.00000  109.50000
   85    76    82    80.00000  111.20000
   85    88    89    35.00000  109.50000
   85    88    90    35.00000  109.50000
   85    88    91    35.00000  109.50000
   85    92    93    35.00000  109.50000
   85    92    94    35.00000  109.50000
   85    92    95    35.00000  109.50000
   88    85    86    35.00000  109.50000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   92    85    86    35.00000  109.50000
   92    85    88    75.00000  113.01200
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   78    75    76    58.35000  112.70000
   78    75    96    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   57    48    54    90.00000  110.19100
   57    48    68   110.00000  112.08000
   49    45    46    63.00000  111.10000
   49    45    48    75.00000  109.43000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
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   96    75    76    85   1.36600  1.0 1.0
   96    75    76    85  -0.11450 -1.0 2.0
   96    75    76    85   0.24250  1.0 3.0
   96    75    78    79   0.15000  1.0 3.0
   96    75    78    80   0.15000  1.0 3.0
   96    75    78    81   0.15000  1.0 3.0
   96    40    43    44  -0.11600  1.0 1.0
   96    40    43    44  -0.09450 -1.0 2.0
   96    40    43    44   0.21250  1.0 3.0
   97    96    40    33   0.15000  1.0 3.0
   97    96    40    66   0.15000  1.0 3.0
   97    96    40    43   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    41   0.56750  1.0 1.0
   40    33   -38    41  -0.07550 -1.0 2.0
   40    33   -38    41   0.20000  1.0 3.0
   40    33    38    53   0.62750  1.0 1.0
   40    33    38    53  -0.30950 -1.0 2.0
   40    33    38    53   0.27300  1.0 3.0
   40    66    69    70   0.15000  1.0 3.0
   40    66    69    71   0.15000  1.0 3.0
   40    66   -69    72   0.56750  1.0 1.0
   40    66   -69    72  -0.07550 -1.0 2.0
   40    66   -69    72   0.20000  1.0 3.0
   85    76    82    83   0.19200  1.0 3.0
   85    76    82    84   0.19200  1.0 3.0
   85    76    82    87   1.69300  1.0 1.0
   85    76    82    87  -0.48450 -1.0 2.0
   86    85    88    89   0.13050  1.0 3.0
   86    85    88    90   0.13050  1.0 3.0
   86    85    88    91   0.13050  1.0 3.0
   86    85    92    93   0.13050  1.0 3.0
   86    85    92    94   0.13050  1.0 3.0
   86    85    92    95   0.13050  1.0 3.0
   88    85    92    93   0.15000  1.0 3.0
   88    85    92    94   0.15000  1.0 3.0
   88    85    92    95   0.15000  1.0 3.0
   92    85    88    89   0.15000  1.0 3.0
   92    85    88    90   0.15000  1.0 3.0
   92    85    88    91   0.15000  1.0 3.0
   78    75    76    77   0.15000  1.0 3.0
   78    75    76    82   0.56750  1.0 1.0
   78    75    76    82  -0.07550 -1.0 2.0
   78    75    76    82   0.20000  1.0 3.0
   78    75    76    85   1.36600  1.0 1.0
   78    75    76    85  -0.11450 -1.0 2.0
   78    75    76    85   0.24250  1.0 3.0
   78    75    96    87   0.62750  1.0 1.0
   78    75    96    87  -0.30950 -1.0 2.0
   78    75    96    87   0.27300  1.0 3.0
   78    75    96    97   0.15000  1.0 3.0
   78    75    96    40   0.56750  1.0 1.0
   78    75    96    40  -0.07550 -1.0 2.0
   78    75    96    40   0.20000  1.0 3.0
   57    48    54    55   0.23400  1.0 3.0
   57    48    54    56   0.23400  1.0 3.0
   57    48    54    59   0.86500  1.0 1.0
   57    48    54    59  -0.17500 -1.0 2.0
   57    48    54    59   0.20800  1.0 3.0
   57    48    68    63  -0.81800  1.0 1.0
   49    45    46    47   0.30150 -1.0 2.0
   49    45    46    53   0.36750  1.0 3.0
   49    45    48    54   0.56750  1.0 1.0
   49    45    48    54  -0.07550 -1.0 2.0
   49    45    48    54   0.20000  1.0 3.0
   49    45    48    68   0.62750  1.0 1.0
   49    45    48    68  -0.30950 -1.0 2.0
   49    45    48    68   0.27300  1.0 3.0
   49    45    48    57   0.86500  1.0 1.0
   49    45    48    57  -0.17500 -1.0 2.0
   49    45    48    57   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   45    53    46    47  10.50000 -1.0 2.0
END
