* LIGAND DATABASE FILE (OPLS2005)
*
001      96   101    200    335     605
    1     0 S   NP   _N1_     1    28.71231    95.96462   -21.03879
    2     1 S   H    _HN1     2     1.02966    85.33451    29.73397
    3     1 S   H    _H1_     3     1.02838    38.15046   155.19255
    4     1 S   H    _H2_     4     1.02790    86.04412   -78.98615
    5     1 S   CT   _CA1     5     1.50131   148.95092   152.68219
    6     5 S   HC   _HA1     6     1.09563   105.26032    60.85458
    7     5 S   CO3  _C1_     7     1.53818   112.43376   -59.46560
    8     7 S   O2Z  _O11     8     1.26388   115.12952   -41.59010
    9     7 S   O2Z  _O12     9     1.26266   115.10438   137.81307
   10     5 S   CT   _CB1    10     1.53124   107.40581   178.93101
   11    10 S   HC   HB11    11     1.09820   109.55381   -48.71885
   12    10 S   HC   HB12    12     1.09829   110.27585    67.89515
   13    10 S   CT   _CG1    13     1.53010   112.69008  -169.78849
   14    13 S   HC   HG11    14     1.09521   110.28829   -60.07664
   15    13 S   HC   HG12    15     1.09628   110.11134    59.05653
   16    13 S   C    _CD1    16     1.51845   112.26026   179.46808
   17    16 S   O    _OE1    17     1.22718   123.18438    -7.84833
   18    16 S   N    _N2_    18     1.38624   111.68793   172.38663
   19    18 S   H    _HN2    19     1.01567   119.03969     2.32440
   20    18 S   CT1  _CA2    20     1.46328   123.43707  -176.88901
   21    20 S   HC   _HA2    21     1.09726   109.42982   -11.46374
   22    20 S   C    _C2_    22     1.53359   108.27609  -127.29401
   23    22 S   O    _O2_    23     1.23010   122.28631  -144.65099
   24    20 S   CT   _CB2    32     1.53504   111.23112   110.57693
   25    24 S   HC   HB21    33     1.09560   109.44899    56.13213
   26    24 S   HC   HB22    34     1.09485   110.62581   174.93693
   27    22 S   N    _N3_    24     1.38522   113.32602    42.60193
   28    27 S   H    _HN3    25     1.01525   118.90637    -0.42521
   29    24 S   S    _SG2    35     1.82753   111.37630   -65.31428
   30    27 S   CT   _CA3    26     1.45445   123.41492   175.17765
   31    30 S   HC   HA31    27     1.09525   109.20270    25.12294
   32    30 S   HC   HA32    28     1.09495   107.13274   142.11942
   33    29 S   CT   _C16    36     1.86110   100.27471   154.69677
   34    33 S   HC   _H6_    37     1.08929   104.33582   -38.28195
   35    30 S   CO3  _C3_    29     1.52925   113.12524   -98.33039
   36    35 S   O2Z  _O31    30     1.26401   115.40724   -44.62064
   37    35 S   O2Z  _O32    31     1.26356   114.98246   136.31607
   38    33 S   CT   _C15    38     1.54209   110.13071    72.71632
   39    38 S   HC   _H5_    39     1.09937   107.32299   -62.26783
   40    33 S   CT   _C17    75     1.57493   114.81632  -153.25617
   41    40 S   OM   _O34    76     1.32622   108.24236   -58.64216
   42    38 S   CT   _C14    40     1.51296   114.09581   177.43891
   43    42 S   HC   _H4_    41     1.09888   108.08450    78.55225
   44    42 S   CT   _C13    42     1.53575   102.99478  -163.43976
   45    44 S   CO4  _C23    43     1.52785   101.34685    25.95013
   46    45 S   O    _O36    44     1.22193   125.92271   171.14865
   47    44 S   CO   _C12    46     1.55413   108.73411   143.98199
   48    44 S   CT   _C24    93     1.53295   111.85110   -89.52890
   49    48 S   HC   _H29    94     1.09461   111.43330   -64.23492
   50    48 S   HC   _H30    95     1.09560   111.35494   175.02142
   51    48 S   HC   _H31    96     1.09582   111.63926    56.12989
   52    38 S   OS   _O35    45     1.42689   116.30992    55.89330
   53    47 S   CT   _C11    47     1.54004   111.23310    46.64261
   54    53 S   HC   _H18    48     1.09760   110.29693   178.58155
   55    53 S   HC   _H19    49     1.09611   110.95748    61.64253
   56    47 S   OH   _O38    91     1.42182   110.16686   168.90971
   57    56 S   HO   _H34    92     0.97131   107.82651  -161.15570
   58    53 S   CT   _C10    50     1.53826   109.93047   -61.41123
   59    58 S   HC   _H16    51     1.09547   107.72099   128.40666
   60    58 S   HC   _H17    52     1.09710   110.00912  -115.52174
   61    42 S   CT   _C9_    53     1.55518   116.65239   -43.74418
   62    61 S   CT   _C25    54     1.56198   111.37134   -77.99797
   63    62 S   HC   _H32    55     1.08892   113.78086    62.41927
   64    62 S   HC   _H33    56     1.09635   110.61844  -177.46410
   65    61 S   CT   _C8_    58     1.57722   111.72916    46.96118
   66    65 S   HC   _H3_    59     1.10218   106.76105  -170.54215
   67    47 S   OS   _O37    57     1.43074   109.79483   -69.95271
   68    65 S   CT   _C7_    60     1.55103   111.45555    74.63827
   69    68 S   HC   _H14    61     1.09543   109.67918    58.14979
   70    68 S   HC   _H15    62     1.09460   110.93677   -59.03180
   71    68 S   CT   _C6_    63     1.52733   113.56638   176.34312
   72    71 S   HC   _H12    64     1.09548   108.16262  -179.25875
   73    71 S   HC   _H13    65     1.09755   107.38189   -65.44843
   74    71 S   CT   _C5_    66     1.54114   114.13960    57.43382
   75    74 S   CT   _C20    67     1.55440   112.56617  -158.77312
   76    75 S   HC   _H8_    68     1.09656   110.38815  -162.89970
   77    74 S   CT   _C4_    87     1.53744   111.71753    75.19246
   78    77 S   HC   _H9_    88     1.09416   111.09975  -161.72453
   79    77 S   HC   _H10    89     1.08985   112.89574    78.84679
   80    77 S   HC   _H11    90     1.09140   112.72248   -40.28517
   81    75 S   CT   _C19    69     1.52942   102.72837    80.04926
   82    81 S   HC   _H20    70     1.09483   111.40728   135.75444
   83    81 S   HC   _H21    71     1.09453   113.56740  -101.42148
   84    75 S   NP   _N4_    77     1.52671   117.20941   -40.72323
   85    84 S   H    _H22    78     1.02819   107.81305    58.74735
   86    81 S   OS   _O33    72     1.42713   107.58762    16.59531
   87    84 S   CT   _C21    79     1.51858   111.89674   175.38488
   88    87 S   HC   _H23    80     1.09217   108.52337    62.35479
   89    87 S   HC   _H24    81     1.09373   108.08312  -177.31883
   90    87 S   HC   _H25    82     1.09136   109.23976   -59.12359
   91    84 S   CT   _C22    83     1.50626   115.21182   -60.43906
   92    91 S   HC   _H26    84     1.09245   108.76804   -53.15158
   93    91 S   HC   _H27    85     1.08957   108.84789    69.30505
   94    91 S   HC   _H28    86     1.09407   108.44644  -173.39259
   95    74 S   CT   _C18    73     1.55238   109.35537   -49.15242
   96    95 S   HC   _H7_    74     1.09984   109.46927   173.64523
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  18   8   2   1   1  16   7  19   8  23   9  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    42    52    65    95    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    44    45    52    61    65    66    68    74    86    95    96    40    41  
   38    39    42    52    65    95    40    41  
   36    37  
   37  
    0  
   39    42    43    44    45    46    52    47    58    61    62    65    95    40    41    48  
   42    43    44    45    52    61    40  
   41    77    42    52    58    61    62    65    66    68    69    70    71    74    75    81    86    95    96  
   61    65    66    68    74    86    95    96  
   43    44    45    46    52    47    53    58    59    60    61    62    63    64    67    65    66    68    56    48    49    50    51  
   44    45    52    47    58    61    62    65    48  
   45    46    52    47    53    54    55    58    61    62    67    65    56    57    48    49    50    51  
   46    52    47    53    61    67    56    48    49    50    51  
   52    47    48  
   53    54    55    58    59    60    61    62    63    64    67    56    57    48    49    50    51    52  
   49    50    51    52    53    56    61    67  
   50    51  
   51  
    0  
   61  
   54    55    58    59    60    61    62    67    65    56    57  
   55    58    59    60    61    67    56  
   58    59    60    61    67    56  
   57    58    62    67  
   67  
   59    60    61    62    63    64    67    65    66    68  
   60    61    62    65  
   61    62    65  
   62    63    64    67    65    66    68    69    70    71    95  
   63    64    67    65    66    68  
   64    67    65  
   67    65  
   66    68    69    70    71    72    73    74    86    95    96    67  
   68    69    70    71    95  
    0  
   69    70    71    72    73    74    75    95    77  
   70    71    72    73    74  
   71    72    73    74  
   72    73    74    75    76    81    86    95    96    84    77    78    79    80  
   73    74    75    95    77  
   74    75    95    77  
   75    76    81    82    83    86    95    96    84    85    87    91    77    78    79    80  
   76    81    82    83    86    95    96    84    85    87    88    89    90    91    92    93    94    77    78    79    80  
   81    82    83    86    95    84    85    87    91    77  
   78    79    80    81    84    86    95    96  
   79    80    95  
   80    95  
   95  
   82    83    86    95    96    84    85    87    91  
   83    86    95    84  
   86    95    84  
   85    87    88    89    90    91    92    93    94    86    95  
   87    88    89    90    91    92    93    94  
   95    96  
   88    89    90    91    92    93    94  
   89    90    91  
   90    91  
   91  
   92    93    94  
   93    94  
   94  
    0  
   96  
    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   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5000   0.0660  -0.014400   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   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   3.5000   0.0660   0.364400   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   84   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   85   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   86   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   87   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   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   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   96   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    42   268.000  1.529
   38    52   320.000  1.410
   42    43   340.000  1.090
   42    44   268.000  1.529
   42    61   268.000  1.529
   44    45   317.000  1.522
   44    47   250.000  1.527
   44    48   268.000  1.529
   45    46   570.000  1.229
   45    52   214.000  1.327
   47    53   250.000  1.527
   47    67   320.000  1.380
   47    56   380.000  1.407
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   268.000  1.529
   61    65   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   320.000  1.410
   65    66   340.000  1.090
   65    68   268.000  1.529
   65    40   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   268.000  1.529
   74    95   268.000  1.529
   74    77   268.000  1.529
   75    76   340.000  1.090
   75    81   268.000  1.529
   75    84   367.000  1.471
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    86   320.000  1.410
   86    95   320.000  1.410
   95    96   340.000  1.090
   95    40   268.000  1.529
   40    41   570.000  1.307
   84    85   434.000  1.010
   84    87   367.000  1.471
   84    91   367.000  1.471
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   56    57   553.000  0.945
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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    42    58.35000  112.70000
   33    38    52    50.00000  109.50000
   33    40    65    58.35000  112.70000
   33    40    95    58.35000  112.70000
   33    40    41    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    44    58.35000  112.70000
   38    42    61    58.35000  112.70000
   38    52    45    83.00000  116.90000
   42    38    39    37.50000  110.70000
   42    44    45    63.00000  111.10000
   42    44    47    75.00000  109.43000
   42    44    48    58.35000  112.70000
   42    61    58    58.35000  112.70000
   42    61    62    58.35000  112.70000
   42    61    65    58.35000  112.70000
   44    42    43    37.50000  110.70000
   44    45    46    80.00000  120.40000
   44    45    52    81.00000  111.40000
   44    47    53    65.00000  112.71400
   44    47    67    90.00000  108.56700
   44    47    56    90.00000  110.19100
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   44    48    51    37.50000  110.70000
   52    38    39    35.00000  109.50000
   52    38    42    50.00000  109.50000
   52    45    46    83.00000  123.40000
   47    44    45    63.00000  111.10000
   47    53    54    45.00000  108.72000
   47    53    55    45.00000  108.72000
   47    53    58    75.00000  109.43000
   47    67    62    60.00000  109.50000
   47    56    57    70.00000  107.92000
   53    58    59    37.50000  110.70000
   53    58    60    37.50000  110.70000
   53    58    61    58.35000  112.70000
   55    53    54    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   58    61    62    58.35000  112.70000
   58    61    65    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    42    43    37.50000  110.70000
   61    42    44    58.35000  112.70000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    62    63    37.50000  110.70000
   61    62    64    37.50000  110.70000
   61    62    67    50.00000  109.50000
   61    65    66    37.50000  110.70000
   61    65    68    58.35000  112.70000
   61    65    40    58.35000  112.70000
   64    62    63    33.00000  107.80000
   67    47    53    90.00000  108.56700
   67    62    63    35.00000  109.50000
   67    62    64    35.00000  109.50000
   65    61    62    58.35000  112.70000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    58.35000  112.70000
   65    40    95    58.35000  112.70000
   65    40    41    50.00000  109.50000
   68    65    66    37.50000  110.70000
   68    71    72    37.50000  110.70000
   68    71    73    37.50000  110.70000
   68    71    74    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    74    75    58.35000  112.70000
   71    74    95    58.35000  112.70000
   71    74    77    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    75    76    37.50000  110.70000
   74    75    81    58.35000  112.70000
   74    75    84    80.00000  111.20000
   74    95    86    50.00000  109.50000
   74    95    96    37.50000  110.70000
   74    95    40    58.35000  112.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    37.50000  110.70000
   75    81    82    37.50000  110.70000
   75    81    83    37.50000  110.70000
   75    81    86    50.00000  109.50000
   75    84    85    35.00000  109.50000
   75    84    87    75.00000  113.01200
   75    84    91    75.00000  113.01200
   81    75    76    37.50000  110.70000
   81    86    95    60.00000  109.50000
   83    81    82    33.00000  107.80000
   86    81    82    35.00000  109.50000
   86    81    83    35.00000  109.50000
   86    95    96    35.00000  109.50000
   86    95    40    50.00000  109.50000
   95    74    75    58.35000  112.70000
   95    40    41    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    65    66    37.50000  110.70000
   40    65    68    58.35000  112.70000
   40    95    96    37.50000  110.70000
   84    75    76    35.00000  109.50000
   84    75    81    80.00000  111.20000
   84    87    88    35.00000  109.50000
   84    87    89    35.00000  109.50000
   84    87    90    35.00000  109.50000
   84    91    92    35.00000  109.50000
   84    91    93    35.00000  109.50000
   84    91    94    35.00000  109.50000
   87    84    85    35.00000  109.50000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   91    84    85    35.00000  109.50000
   91    84    87    75.00000  113.01200
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   77    74    75    58.35000  112.70000
   77    74    95    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   56    47    53    90.00000  110.19100
   56    47    67   110.00000  112.08000
   48    44    45    63.00000  111.10000
   48    44    47    75.00000  109.43000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    52   0.56750  1.0 1.0
   29    33    38    52  -0.07550 -1.0 2.0
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   40    33   -38    42  -0.07550 -1.0 2.0
   40    33   -38    42   0.20000  1.0 3.0
   40    33    38    52   0.62750  1.0 1.0
   40    33    38    52  -0.30950 -1.0 2.0
   40    33    38    52   0.27300  1.0 3.0
   40    65    68    69   0.15000  1.0 3.0
   40    65    68    70   0.15000  1.0 3.0
   40    65   -68    71   0.56750  1.0 1.0
   40    65   -68    71  -0.07550 -1.0 2.0
   40    65   -68    71   0.20000  1.0 3.0
   84    75    81    82   0.19200  1.0 3.0
   84    75    81    83   0.19200  1.0 3.0
   84    75    81    86   1.69300  1.0 1.0
   84    75    81    86  -0.48450 -1.0 2.0
   85    84    87    88   0.13050  1.0 3.0
   85    84    87    89   0.13050  1.0 3.0
   85    84    87    90   0.13050  1.0 3.0
   85    84    91    92   0.13050  1.0 3.0
   85    84    91    93   0.13050  1.0 3.0
   85    84    91    94   0.13050  1.0 3.0
   87    84    91    92   0.15000  1.0 3.0
   87    84    91    93   0.15000  1.0 3.0
   87    84    91    94   0.15000  1.0 3.0
   91    84    87    88   0.15000  1.0 3.0
   91    84    87    89   0.15000  1.0 3.0
   91    84    87    90   0.15000  1.0 3.0
   77    74    75    76   0.15000  1.0 3.0
   77    74    75    81   0.56750  1.0 1.0
   77    74    75    81  -0.07550 -1.0 2.0
   77    74    75    81   0.20000  1.0 3.0
   77    74    75    84   1.36600  1.0 1.0
   77    74    75    84  -0.11450 -1.0 2.0
   77    74    75    84   0.24250  1.0 3.0
   77    74    95    86   0.62750  1.0 1.0
   77    74    95    86  -0.30950 -1.0 2.0
   77    74    95    86   0.27300  1.0 3.0
   77    74    95    96   0.15000  1.0 3.0
   77    74    95    40   0.56750  1.0 1.0
   77    74    95    40  -0.07550 -1.0 2.0
   77    74    95    40   0.20000  1.0 3.0
   56    47    53    54   0.23400  1.0 3.0
   56    47    53    55   0.23400  1.0 3.0
   56    47    53    58   0.86500  1.0 1.0
   56    47    53    58  -0.17500 -1.0 2.0
   56    47    53    58   0.20800  1.0 3.0
   56    47    67    62  -0.81800  1.0 1.0
   48    44    45    46   0.30150 -1.0 2.0
   48    44    45    52   0.36750  1.0 3.0
   48    44    47    53   0.56750  1.0 1.0
   48    44    47    53  -0.07550 -1.0 2.0
   48    44    47    53   0.20000  1.0 3.0
   48    44    47    67   0.62750  1.0 1.0
   48    44    47    67  -0.30950 -1.0 2.0
   48    44    47    67   0.27300  1.0 3.0
   48    44    47    56   0.86500  1.0 1.0
   48    44    47    56  -0.17500 -1.0 2.0
   48    44    47    56   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
   44    52    45    46  10.50000 -1.0 2.0
END
