* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    153    236     457
    1     0 S   NP   _N1_     1    28.72966    94.98935   -24.14152
    2     1 S   H    _HN1     2     1.02829    27.32600   171.34376
    3     1 S   H    _H1_     3     1.02785   108.59441   -95.50464
    4     1 S   H    _H2_     4     1.02950    81.35208    11.05275
    5     1 S   CT   _CA1     5     1.50109   130.34323   120.52963
    6     5 S   HC   _HA1     6     1.09573   105.20790    81.58681
    7     5 S   CO3  _C1_     7     1.53794   112.45290   -38.66263
    8     7 S   O2Z  _O11     8     1.26372   115.00747   -42.75509
    9     7 S   O2Z  _O12     9     1.26241   114.94975   136.41462
   10     5 S   CT   _CB1    10     1.53085   107.42461  -160.42602
   11    10 S   HC   HB11    11     1.09831   109.39153   -49.83096
   12    10 S   HC   HB12    12     1.09814   110.43664    66.78159
   13    10 S   CT   _CG1    13     1.52982   112.59236  -170.82283
   14    13 S   HC   HG11    14     1.09585   110.59621   -65.00671
   15    13 S   HC   HG12    15     1.09669   109.81852    54.21586
   16    13 S   C    _CD1    16     1.51797   112.28376   174.67049
   17    16 S   O    _OE1    17     1.22725   123.31063     5.16869
   18    16 S   N    _N2_    18     1.38649   111.62560  -174.90938
   19    18 S   H    _HN2    19     1.01580   118.93362     1.86162
   20    18 S   CT1  _CA2    20     1.46194   123.41792   177.94900
   21    20 S   HC   _HA2    21     1.09734   109.37871     1.65611
   22    20 S   C    _C2_    22     1.53528   108.61846  -113.85827
   23    22 S   O    _O2_    23     1.23057   122.27700  -148.02422
   24    20 S   CT   _CB2    32     1.53339   111.53240   123.67712
   25    24 S   HC   HB21    33     1.09519   109.90007    56.11765
   26    24 S   HC   HB22    34     1.09513   110.18103   175.19625
   27    22 S   N    _N3_    24     1.38331   113.69733    39.42756
   28    27 S   H    _HN3    25     1.01591   119.58497    -3.36447
   29    24 S   S    _SG2    35     1.82846   111.48159   -64.99033
   30    27 S   CT   _CA3    26     1.45289   123.18946   177.10376
   31    30 S   HC   HA31    27     1.09550   107.51087   -64.47407
   32    30 S   HC   HA32    28     1.09557   107.97981    51.95827
   33    29 S   CT   _C14    36     1.84497    99.79626  -176.38204
   34    33 S   HC   _H6_    37     1.09550   104.53566    48.98985
   35    30 S   CO3  _C3_    29     1.52956   114.09413   173.95334
   36    35 S   O2Z  _O31    30     1.26374   116.06782    -0.73993
   37    35 S   O2Z  _O32    31     1.26429   114.41145   179.32131
   38    33 S   CT   _C13    38     1.53517   110.17652   -66.26109
   39    38 S   HC   _H16    39     1.09839   109.40745    87.94200
   40    38 S   HC   _H17    40     1.09834   111.88131   -28.03869
   41    38 S   CT   _C12    41     1.52683   113.06167  -149.51439
   42    41 S   HC   _H5_    42     1.09616   107.60415    86.60772
   43    41 S   CT   _C11    43     1.54533   112.65916   -32.36268
   44    41 S   OH   _O34    78     1.42145   109.90456  -159.24949
   45    44 S   HO   _H24    79     0.97258   107.73062   -54.87320
   46    43 S   CT   _C8_    44     1.58058   115.42750   -61.95460
   47    46 S   HC   _H3_    45     1.09296   107.23026    56.05219
   48    43 S   OS   _O33    64     1.44330   109.31649    60.22040
   49    43 S   CT   _C18    74     1.54359   108.01438   173.36121
   50    49 S   HC   _H25    75     1.09721   110.28954   -56.14177
   51    49 S   HC   _H26    76     1.09429   111.88514  -172.87586
   52    49 S   HC   _H27    77     1.09343   112.66204    64.22394
   53    46 S   CT   _C7_    46     1.54696   112.24778   170.85957
   54    53 S   HC   _H12    47     1.09445   110.44401    61.33517
   55    53 S   HC   _H13    48     1.09583   110.24165   -55.80357
   56    33 S   CT   _C15    65     1.55400   114.06736   165.40392
   57    53 S   CT   _C6_    49     1.53178   112.85266  -176.30721
   58    57 S   HC   _H10    50     1.09812   107.93840    68.85508
   59    57 S   HC   _H11    51     1.09771   108.72598  -176.66892
   60    56 S   CT   _C16    66     1.54185   110.46595   -67.06283
   61    60 S   HC   _H18    67     1.09676   110.78092  -174.63144
   62    60 S   HC   _H19    68     1.09410   112.63424    64.30697
   63    60 S   HC   _H20    69     1.09616   110.68227   -57.18354
   64    56 S   CT   _C17    70     1.54042   113.90290    53.99395
   65    64 S   HC   _H21    71     1.09668   110.53056   170.58101
   66    64 S   HC   _H22    72     1.09276   112.29270    52.20123
   67    64 S   HC   _H23    73     1.09470   112.24741   -69.14148
   68    57 S   CT   _C5_    52     1.53546   113.98226   -52.67508
   69    68 S   Br   Br1_    53     2.00312   108.03377   -70.54063
   70    68 S   CT   _C10    54     1.54374   112.41633    47.95480
   71    70 S   Cl   Cl1_    55     1.80614   111.48377    75.19551
   72    70 S   HC   _H4_    56     1.09615   110.31099  -168.98086
   73    68 S   CT   _C4_    60     1.53730   110.44364   175.85258
   74    73 S   HC   _H7_    61     1.09622   111.36085  -179.00142
   75    73 S   HC   _H8_    62     1.09677   111.48424    61.03020
   76    73 S   HC   _H9_    63     1.09496   111.85688   -58.25016
   77    46 S   CT   _C9_    57     1.54387   115.29115   -62.87086
   78    77 S   HC   _H14    58     1.09519   109.69976   -59.91694
   79    77 S   HC   _H15    59     1.09332   110.66479    56.82981
  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  13   6   5  14   6  20   4   1  20  10  15
   6   2   1   1  12   6   5   8  12   5   4   7   3   2   1   3
   2   1   1  11   8   9   5   4   4   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    48    56    60    64  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    48    56    60    61    62    63    64    65    66    67    44  
   38    39    40    41    48    56    60    64  
   36    37  
   37  
    0  
   39    40    41    42    43    46    48    56    60    64    49    44    45  
   40    41    42    43    56    44  
   41    42    43    56    44  
   42    43    46    47    53    77    48    56    49    50    51    52    44    45  
   43    46    48    49    44    45  
   46    47    53    54    55    57    70    77    78    79    48    56    60    64    49    50    51    52    44    45  
   45    46    48    49  
    0  
   47    53    54    55    57    58    59    68    70    71    72    77    78    79    48    56    49    50    51    52  
   53    54    55    57    70    77    78    79    48    49  
   56    60    61    62    63    64    65    66    67    49    50    51    52    53    77  
   50    51    52    53    56    77  
   51    52  
   52  
    0  
   54    55    57    58    59    68    69    70    77    78    79    73  
   55    57    58    59    68    77  
   57    58    59    68    77  
   60    61    62    63    64    65    66    67  
   58    59    68    69    70    71    72    77    73    74    75    76  
   59    68    69    70    73  
   68    69    70    73  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64  
   64  
   65    66    67  
   66    67  
   67  
    0  
   69    70    71    72    77    78    79    73    74    75    76  
   70    71    72    77    73    74    75    76  
   71    72    77    78    79    73    74    75    76  
   72    77    78    79    73  
   77    78    79    73  
   74    75    76    77  
   75    76  
   76  
    0  
   78    79  
   79  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.5000   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   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.5000   0.0660  -0.009500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.017100   1.9750   1.7500   0.005000000  -0.741685710
   69   3.4700   0.4700  -0.203900   2.8000   2.5000   0.001000000  -0.686339560
   70   3.5000   0.0660   0.097000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   72   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.069500   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    56   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    44   320.000  1.410
   43    46   268.000  1.529
   43    48   320.000  1.410
   43    49   268.000  1.529
   46    47   340.000  1.090
   46    53   268.000  1.529
   46    77   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    68   268.000  1.529
   68    69   245.000  1.990
   68    70   268.000  1.529
   68    73   268.000  1.529
   70    71   245.000  1.781
   70    72   340.000  1.090
   70    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   48    56   320.000  1.410
   56    60   268.000  1.529
   56    64   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   44    45   553.000  0.945
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    56    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    56    48    50.00000  109.50000
   33    56    60    58.35000  112.70000
   33    56    64    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    44    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    46    58.35000  112.70000
   41    43    48    50.00000  109.50000
   41    43    49    58.35000  112.70000
   41    44    45    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    53    58.35000  112.70000
   43    46    77    58.35000  112.70000
   43    48    56    60.00000  109.50000
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    52    37.50000  110.70000
   46    53    54    37.50000  110.70000
   46    53    55    37.50000  110.70000
   46    53    57    58.35000  112.70000
   46    77    70    58.35000  112.70000
   46    77    78    37.50000  110.70000
   46    77    79    37.50000  110.70000
   53    46    47    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    68    58.35000  112.70000
   55    53    54    33.00000  107.80000
   57    53    54    37.50000  110.70000
   57    53    55    37.50000  110.70000
   57    68    69    70.00000  109.17700
   57    68    70    58.35000  112.70000
   57    68    73    58.35000  112.70000
   59    57    58    33.00000  107.80000
   68    57    58    37.50000  110.70000
   68    57    59    37.50000  110.70000
   68    70    71    69.00000  109.80000
   68    70    72    37.50000  110.70000
   68    70    77    58.35000  112.70000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    76    37.50000  110.70000
   70    68    69    70.00000  109.17700
   70    77    78    37.50000  110.70000
   70    77    79    37.50000  110.70000
   72    70    71    51.00000  107.60000
   77    46    47    37.50000  110.70000
   77    46    53    58.35000  112.70000
   77    70    71    69.00000  109.80000
   77    70    72    37.50000  110.70000
   79    77    78    33.00000  107.80000
   73    68    69    70.00000  109.17700
   73    68    70    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   48    43    46    50.00000  109.50000
   48    56    60    50.00000  109.50000
   48    56    64    50.00000  109.50000
   56    33    34    37.50000  110.70000
   56    33    38    58.35000  112.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    63    37.50000  110.70000
   56    64    65    37.50000  110.70000
   56    64    66    37.50000  110.70000
   56    64    67    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    56    60    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   49    43    46    58.35000  112.70000
   49    43    48    50.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   44    41    42    35.00000  109.50000
   44    41    43    50.00000  109.50000
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    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   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    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    56    48   0.56750  1.0 1.0
   29    33    56    48  -0.07550 -1.0 2.0
   29    33    56    48   0.20000  1.0 3.0
   29    33    56    60   0.44750  1.0 1.0
   29    33    56    60  -0.17800 -1.0 2.0
   29    33    56    60   0.20200  1.0 3.0
   29    33    56    64   0.44750  1.0 1.0
   29    33    56    64  -0.17800 -1.0 2.0
   29    33    56    64   0.20200  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    44   0.86500  1.0 1.0
   33    38    41    44  -0.17500 -1.0 2.0
   33    38    41    44   0.20800  1.0 3.0
   33    56    60    61   0.15000  1.0 3.0
   33    56    60    62   0.15000  1.0 3.0
   33    56    60    63   0.15000  1.0 3.0
   33    56    64    65   0.15000  1.0 3.0
   33    56    64    66   0.15000  1.0 3.0
   33    56    64    67   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    56    48   0.23400  1.0 3.0
   34    33    56    60   0.15000  1.0 3.0
   34    33    56    64   0.15000  1.0 3.0
   38    33    56    48   0.62750  1.0 1.0
   38    33    56    48  -0.30950 -1.0 2.0
   38    33    56    48   0.27300  1.0 3.0
   38    33    56    60   0.56750  1.0 1.0
   38    33    56    60  -0.07550 -1.0 2.0
   38    33    56    60   0.20000  1.0 3.0
   38    33    56    64   0.56750  1.0 1.0
   38    33    56    64  -0.07550 -1.0 2.0
   38    33    56    64   0.20000  1.0 3.0
   38    41    43    46   0.56750  1.0 1.0
   38    41    43    46  -0.07550 -1.0 2.0
   38    41    43    46   0.20000  1.0 3.0
   38    41   -43    48   0.62750  1.0 1.0
   38    41   -43    48  -0.30950 -1.0 2.0
   38    41   -43    48   0.27300  1.0 3.0
   38    41    43    49   0.56750  1.0 1.0
   38    41    43    49  -0.07550 -1.0 2.0
   38    41    43    49   0.20000  1.0 3.0
   38    41    44    45  -0.11600  1.0 1.0
   38    41    44    45  -0.09450 -1.0 2.0
   38    41    44    45   0.21250  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    44   0.23400  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    44   0.23400  1.0 3.0
   41    43    46    47   0.15000  1.0 3.0
   41    43    46    53   0.56750  1.0 1.0
   41    43    46    53  -0.07550 -1.0 2.0
   41    43    46    53   0.20000  1.0 3.0
   41    43    46    77   0.56750  1.0 1.0
   41    43    46    77  -0.07550 -1.0 2.0
   41    43    46    77   0.20000  1.0 3.0
   41    43    48    56   0.06250  1.0 1.0
   41    43    48    56  -0.01100 -1.0 2.0
   41    43    48    56   0.28050  1.0 3.0
   41    43    49    50   0.15000  1.0 3.0
   41    43    49    51   0.15000  1.0 3.0
   41    43    49    52   0.15000  1.0 3.0
   42    41    43    46   0.15000  1.0 3.0
   42    41    43    48   0.23400  1.0 3.0
   42    41    43    49   0.15000  1.0 3.0
   42    41    44    45   0.19450  1.0 3.0
   43    41    44    45  -0.11600  1.0 1.0
   43    41    44    45  -0.09450 -1.0 2.0
   43    41    44    45   0.21250  1.0 3.0
   43    46    53    54   0.15000  1.0 3.0
   43    46    53    55   0.15000  1.0 3.0
   43    46    53    57   0.56750  1.0 1.0
   43    46    53    57  -0.07550 -1.0 2.0
   43    46    53    57   0.20000  1.0 3.0
   43    46    77    70   0.56750  1.0 1.0
   43    46    77    70  -0.07550 -1.0 2.0
   43    46    77    70   0.20000  1.0 3.0
   43    46    77    78   0.15000  1.0 3.0
   43    46    77    79   0.15000  1.0 3.0
   43    48   -56    33   0.06250  1.0 1.0
   43    48   -56    33  -0.01100 -1.0 2.0
   43    48   -56    33   0.28050  1.0 3.0
   43    48    56    60   0.06250  1.0 1.0
   43    48    56    60  -0.01100 -1.0 2.0
   43    48    56    60   0.28050  1.0 3.0
   43    48    56    64   0.06250  1.0 1.0
   43    48    56    64  -0.01100 -1.0 2.0
   43    48    56    64   0.28050  1.0 3.0
   46    43    48    56   0.06250  1.0 1.0
   46    43    48    56  -0.01100 -1.0 2.0
   46    43    48    56   0.28050  1.0 3.0
   46    43    49    50   0.15000  1.0 3.0
   46    43    49    51   0.15000  1.0 3.0
   46    43    49    52   0.15000  1.0 3.0
   46    53    57    58   0.15000  1.0 3.0
   46    53    57    59   0.15000  1.0 3.0
   46    53    57    68   0.56750  1.0 1.0
   46    53    57    68  -0.07550 -1.0 2.0
   46    53    57    68   0.20000  1.0 3.0
   47    46    53    54   0.15000  1.0 3.0
   47    46    53    55   0.15000  1.0 3.0
   47    46    53    57   0.15000  1.0 3.0
   47    46    77    70   0.15000  1.0 3.0
   47    46    77    78   0.15000  1.0 3.0
   47    46    77    79   0.15000  1.0 3.0
   53    46    77    70   0.56750  1.0 1.0
   53    46    77    70  -0.07550 -1.0 2.0
   53    46    77    70   0.20000  1.0 3.0
   53    46    77    78   0.15000  1.0 3.0
   53    46    77    79   0.15000  1.0 3.0
   53    57    68    69   0.74700  1.0 1.0
   53    57    68    69  -0.19600 -1.0 2.0
   53    57    68    69   0.19200  1.0 3.0
   53    57   -68    70   0.56750  1.0 1.0
   53    57   -68    70  -0.07550 -1.0 2.0
   53    57   -68    70   0.20000  1.0 3.0
   53    57    68    73   0.56750  1.0 1.0
   53    57    68    73  -0.07550 -1.0 2.0
   53    57    68    73   0.20000  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    59   0.15000  1.0 3.0
   54    53    57    68   0.15000  1.0 3.0
   55    53    57    58   0.15000  1.0 3.0
   55    53    57    59   0.15000  1.0 3.0
   55    53    57    68   0.15000  1.0 3.0
   57    68    70    71   0.35600  1.0 1.0
   57    68    70    71  -0.14650 -1.0 2.0
   57    68    70    71   0.33350  1.0 3.0
   57    68    70    72   0.15000  1.0 3.0
   57    68    70    77   0.56750  1.0 1.0
   57    68    70    77  -0.07550 -1.0 2.0
   57    68    70    77   0.20000  1.0 3.0
   57    68    73    74   0.15000  1.0 3.0
   57    68    73    75   0.15000  1.0 3.0
   57    68    73    76   0.15000  1.0 3.0
   58    57    68    69   0.39750  1.0 3.0
   58    57    68    70   0.15000  1.0 3.0
   58    57    68    73   0.15000  1.0 3.0
   59    57    68    69   0.39750  1.0 3.0
   59    57    68    70   0.15000  1.0 3.0
   59    57    68    73   0.15000  1.0 3.0
   68    70   -77    46   0.56750  1.0 1.0
   68    70   -77    46  -0.07550 -1.0 2.0
   68    70   -77    46   0.20000  1.0 3.0
   68    70    77    78   0.15000  1.0 3.0
   68    70    77    79   0.15000  1.0 3.0
   69    68    70    71   0.56750  1.0 1.0
   69    68    70    71  -0.07550 -1.0 2.0
   69    68    70    71   0.20000  1.0 3.0
   69    68    70    72   0.39750  1.0 3.0
   69    68    70    77   0.74700  1.0 1.0
   69    68    70    77  -0.19600 -1.0 2.0
   69    68    70    77   0.19200  1.0 3.0
   69    68    73    74   0.39750  1.0 3.0
   69    68    73    75   0.39750  1.0 3.0
   69    68    73    76   0.39750  1.0 3.0
   70    68    73    74   0.15000  1.0 3.0
   70    68    73    75   0.15000  1.0 3.0
   70    68    73    76   0.15000  1.0 3.0
   71    70    77    46   0.35600  1.0 1.0
   71    70    77    46  -0.14650 -1.0 2.0
   71    70    77    46   0.33350  1.0 3.0
   71    70    77    78   0.27000  1.0 3.0
   71    70    77    79   0.27000  1.0 3.0
   72    70    77    46   0.15000  1.0 3.0
   72    70    77    78   0.15000  1.0 3.0
   72    70    77    79   0.15000  1.0 3.0
   77    46    53    54   0.15000  1.0 3.0
   77    46    53    55   0.15000  1.0 3.0
   77    46   -53    57   0.56750  1.0 1.0
   77    46   -53    57  -0.07550 -1.0 2.0
   77    46   -53    57   0.20000  1.0 3.0
   73    68    70    71   0.35600  1.0 1.0
   73    68    70    71  -0.14650 -1.0 2.0
   73    68    70    71   0.33350  1.0 3.0
   73    68    70    72   0.15000  1.0 3.0
   73    68    70    77   0.56750  1.0 1.0
   73    68    70    77  -0.07550 -1.0 2.0
   73    68    70    77   0.20000  1.0 3.0
   48    43    46    47   0.23400  1.0 3.0
   48    43    46    53   0.62750  1.0 1.0
   48    43    46    53  -0.30950 -1.0 2.0
   48    43    46    53   0.27300  1.0 3.0
   48    43    46    77   0.62750  1.0 1.0
   48    43    46    77  -0.30950 -1.0 2.0
   48    43    46    77   0.27300  1.0 3.0
   48    43    49    50   0.23400  1.0 3.0
   48    43    49    51   0.23400  1.0 3.0
   48    43    49    52   0.23400  1.0 3.0
   48    56    60    61   0.23400  1.0 3.0
   48    56    60    62   0.23400  1.0 3.0
   48    56    60    63   0.23400  1.0 3.0
   48    56    64    65   0.23400  1.0 3.0
   48    56    64    66   0.23400  1.0 3.0
   48    56    64    67   0.23400  1.0 3.0
   56    33    38    39   0.15000  1.0 3.0
   56    33    38    40   0.15000  1.0 3.0
   56    33   -38    41   0.56750  1.0 1.0
   56    33   -38    41  -0.07550 -1.0 2.0
   56    33   -38    41   0.20000  1.0 3.0
   60    56    64    65   0.15000  1.0 3.0
   60    56    64    66   0.15000  1.0 3.0
   60    56    64    67   0.15000  1.0 3.0
   64    56    60    61   0.15000  1.0 3.0
   64    56    60    62   0.15000  1.0 3.0
   64    56    60    63   0.15000  1.0 3.0
   49    43    46    47   0.15000  1.0 3.0
   49    43    46    53   0.56750  1.0 1.0
   49    43    46    53  -0.07550 -1.0 2.0
   49    43    46    53   0.20000  1.0 3.0
   49    43    46    77   0.56750  1.0 1.0
   49    43    46    77  -0.07550 -1.0 2.0
   49    43    46    77   0.20000  1.0 3.0
   49    43    48    56   0.06250  1.0 1.0
   49    43    48    56  -0.01100 -1.0 2.0
   49    43    48    56   0.28050  1.0 3.0
   44    41    43    46   0.86500  1.0 1.0
   44    41    43    46  -0.17500 -1.0 2.0
   44    41    43    46   0.20800  1.0 3.0
   44    41    43    48   3.69350  1.0 1.0
   44    41    43    48  -1.82950 -1.0 2.0
   44    41    43    49   0.86500  1.0 1.0
   44    41    43    49  -0.17500 -1.0 2.0
   44    41    43    49   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
END
