* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    151    215     431
    1     0 S   NP   _N1_     1    28.81291    93.26382   -23.27133
    2     1 S   H    _HN1     2     1.02719    23.50688  -159.41212
    3     1 S   H    _H1_     3     1.03383   105.32815   -60.20247
    4     1 S   H    _H2_     4     1.03015    86.11593    46.35388
    5     1 S   CT   _CA1     5     1.49851   130.55246   160.35952
    6     5 S   HC   _HA1     6     1.09588   105.12213    75.40854
    7     5 S   CO3  _C1_     7     1.53799   112.64670   -44.27416
    8     7 S   O2Z  _O11     8     1.26331   115.19940   -37.76265
    9     7 S   O2Z  _O12     9     1.26312   114.90992   141.32718
   10     5 S   CT   _CB1    10     1.53113   107.45559  -166.97581
   11    10 S   HC   HB11    11     1.09786   108.99398   -52.44453
   12    10 S   HC   HB12    12     1.09712   110.37691    63.99461
   13    10 S   CT   _CG1    13     1.53015   112.92769  -174.11670
   14    13 S   HC   HG11    14     1.09603   110.04687   -68.58798
   15    13 S   HC   HG12    15     1.09653   110.18510    50.45271
   16    13 S   C    _CD1    16     1.51870   112.58036   170.24615
   17    16 S   O    _OE1    17     1.22714   123.25689   -14.17651
   18    16 S   N    _N2_    18     1.38677   111.79375   167.49382
   19    18 S   H    _HN2    19     1.01588   119.01823    -1.75390
   20    18 S   CT1  _CA2    20     1.46130   123.30320   177.93502
   21    20 S   HC   _HA2    21     1.09570   109.04029   -18.75354
   22    20 S   C    _C2_    22     1.53475   108.13967  -133.67301
   23    22 S   O    _O2_    23     1.23013   122.33910  -145.54403
   24    20 S   CT   _CB2    32     1.53450   112.12850   104.09627
   25    24 S   HC   HB21    33     1.09654   109.56856    58.21978
   26    24 S   HC   HB22    34     1.09569   110.93675   175.54398
   27    22 S   N    _N3_    24     1.38554   113.33026    41.91130
   28    27 S   H    _HN3    25     1.01536   118.93145    -0.38614
   29    24 S   S    _SG2    35     1.82727   114.86060   -61.86556
   30    27 S   CT   _CA3    26     1.45431   123.22754   175.12745
   31    30 S   HC   HA31    27     1.09540   108.95041    29.50905
   32    30 S   HC   HA32    28     1.09488   107.18252   146.47383
   33    29 S   CT   _C14    36     1.82093    99.75392   -69.23194
   34    33 S   HC   _H18    37     1.09605   108.60889   -56.95876
   35    33 S   HC   _H19    38     1.09382   110.09535    59.39372
   36    30 S   CO3  _C3_    29     1.52949   113.36085   -93.75996
   37    36 S   O2Z  _O31    30     1.26384   115.52225   -41.68384
   38    36 S   O2Z  _O32    31     1.26372   114.90342   139.27080
   39    33 S   CT   _C13    39     1.53324   112.38785  -177.77059
   40    39 S   HC   _H8_    40     1.09551   110.40332    59.21234
   41    39 S   CT   _C10    41     1.52851   114.62150   -68.67252
   42    41 S   HC   _H6_    42     1.09258   114.75204    33.94436
   43    41 S   CT   _C11    43     1.51170   102.65587   -88.14405
   44    43 S   HC   _H16    44     1.09584   110.05367    81.29088
   45    43 S   HC   _H17    45     1.09412   113.78353  -156.47933
   46    41 S   OS   _O37    53     1.42859   109.58992   157.83126
   47    43 S   CT   _C12    46     1.51967   101.86707   -36.42416
   48    47 S   HC   _H7_    47     1.09656   110.36262   -83.77008
   49    46 S   P2   _P1_    54     1.63395   119.84728   -96.89130
   50    49 S   O2Z  _O36    55     1.51247   109.02888    50.68105
   51    49 S   O2Z  _O35    56     1.51326   108.19365  -176.57023
   52    39 S   OS   _O38    48     1.44985   106.35241   174.57971
   53    47 S   CT   _C15    49     1.51678   113.32518   152.99101
   54    53 S   HC   _H20    50     1.09556   111.02160   -60.88202
   55    53 S   HC   _H21    51     1.09520   110.33714  -178.78196
   56    53 S   HC   _H22    52     1.09398   111.25572    60.45625
   57    49 S   OS   _O34    57     1.63297    99.89108   -62.74892
   58    57 S   CT   _C9_    58     1.42518   119.21992   -67.83526
   59    58 S   HC   _H14    59     1.09451   107.62700   -81.72539
   60    58 S   HC   _H15    60     1.09447   109.57068    37.02294
   61    58 S   CT   _C8_    61     1.52634   108.23563   157.46714
   62    61 S   HC   _H5_    62     1.09458   110.03165   -47.64382
   63    61 S   CT   _C7_    63     1.52447   112.83970  -174.08971
   64    63 S   HC   _H4_    64     1.09405   114.19532    32.27884
   65    63 S   CT   _C6_    65     1.51159   102.65135   -90.17003
   66    65 S   HC   _H12    66     1.09625   109.86866    81.34536
   67    65 S   HC   _H13    67     1.09420   113.84945  -156.43006
   68    63 S   OS   _O39    75     1.42731   109.03087   155.43766
   69    65 S   CT   _C5_    68     1.52033   101.85108   -36.16580
   70    69 S   HC   _H3_    69     1.09646   110.37021   -83.27816
   71    68 S   P2   _P2_    76     1.63135   119.33378   -96.49029
   72    71 S   O2Z  _O42    77     1.50984   110.14558    40.24810
   73    71 S   O2Z  _O40    78     1.51275   107.80715   174.02050
   74    61 S   OS   _O33    70     1.44607   107.92251    68.74262
   75    69 S   CT   _C4_    71     1.51650   113.44409   153.43464
   76    75 S   HC   _H9_    72     1.09553   111.03443   -60.81953
   77    75 S   HC   _H10    73     1.09524   110.31722  -178.71306
   78    75 S   HC   _H11    74     1.09396   111.25946    60.54259
   79    71 S   OS   _O41    79     1.62932    99.15834   -73.84224
   80    79 S   HO   _H23    80     0.97887   116.36586   -82.94216
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  10   5   4   2   1   1  12   6  13   7  11   6   5   7   6   5
   7   3   2   4   3   2   1   1   7  10   5   4  12   6  13   7
  11   6   5   7   6   5   4   3   2   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    52  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    52    46  
   35    39    40    41    52  
   39    40    41    52  
   37    38  
   38  
    0  
   40    41    42    43    44    45    47    48    52    53    46    49  
   41    42    43    47    52    46  
   42    43    44    45    47    48    52    53    46    49    50    51    57  
   43    44    45    47    52    46    49  
   44    45    47    48    52    53    54    55    56    46    49  
   45    47    48    52    53    46  
   47    48    52    53    46  
   49    50    51    57    58    47    52  
   48    52    53    54    55    56  
   52    53    54    55    56  
   50    51    57    58    59    60    61  
   51    57    58  
   57    58  
   53    54    55    56  
   54    55    56  
   55    56  
   56  
    0  
   58    59    60    61    62    63    74  
   59    60    61    62    63    64    65    69    74    68  
   60    61    62    63    74  
   61    62    63    74  
   62    63    64    65    66    67    69    70    74    75    68    71  
   63    64    65    69    74    68  
   64    65    66    67    69    70    74    75    68    71    72    73    79  
   65    66    67    69    74    68    71  
   66    67    69    70    74    75    76    77    78    68    71  
   67    69    70    74    75    68  
   69    70    74    75    68  
   71    72    73    79    80    69    74  
   70    74    75    76    77    78  
   74    75    76    77    78  
   72    73    79    80  
   73    79    80  
   79    80  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    0  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.140000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7400   0.2000   1.760000   2.1070   1.8700   0.005000000   0.000000000
   50   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   51   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   52   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660   0.080000   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   72   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   73   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   74   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    52   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    47   268.000  1.529
   47    48   340.000  1.090
   47    52   320.000  1.410
   47    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   46    49   230.000  1.697
   49    50   525.000  1.480
   49    51   525.000  1.480
   49    57   230.000  1.697
   57    58   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    74   320.000  1.410
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    68   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    69   268.000  1.529
   69    70   340.000  1.090
   69    74   320.000  1.410
   69    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   68    71   230.000  1.697
   71    72   525.000  1.480
   71    73   525.000  1.480
   71    79   230.000  1.697
   79    80   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    52    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    46    50.00000  109.50000
   39    52    47    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    47    58.35000  112.70000
   41    46    49   100.00000  120.50000
   43    41    42    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    52    50.00000  109.50000
   43    47    53    58.35000  112.70000
   45    43    44    33.00000  107.80000
   47    43    44    37.50000  110.70000
   47    43    45    37.50000  110.70000
   47    53    54    37.50000  110.70000
   47    53    55    37.50000  110.70000
   47    53    56    37.50000  110.70000
   52    39    40    35.00000  109.50000
   52    39    41    50.00000  109.50000
   52    47    48    35.00000  109.50000
   53    47    48    37.50000  110.70000
   53    47    52    50.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   46    41    42    35.00000  109.50000
   46    41    43    50.00000  109.50000
   46    49    50   100.00000  108.23000
   46    49    51   100.00000  108.23000
   46    49    57    45.00000  102.60000
   49    57    58   100.00000  120.50000
   51    49    50   140.00000  119.90000
   57    49    50   100.00000  108.23000
   57    49    51   100.00000  108.23000
   57    58    59    35.00000  109.50000
   57    58    60    35.00000  109.50000
   57    58    61    50.00000  109.50000
   58    61    62    37.50000  110.70000
   58    61    63    58.35000  112.70000
   58    61    74    50.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    63    64    37.50000  110.70000
   61    63    65    58.35000  112.70000
   61    63    68    50.00000  109.50000
   61    74    69    60.00000  109.50000
   63    61    62    37.50000  110.70000
   63    65    66    37.50000  110.70000
   63    65    67    37.50000  110.70000
   63    65    69    58.35000  112.70000
   63    68    71   100.00000  120.50000
   65    63    64    37.50000  110.70000
   65    69    70    37.50000  110.70000
   65    69    74    50.00000  109.50000
   65    69    75    58.35000  112.70000
   67    65    66    33.00000  107.80000
   69    65    66    37.50000  110.70000
   69    65    67    37.50000  110.70000
   69    75    76    37.50000  110.70000
   69    75    77    37.50000  110.70000
   69    75    78    37.50000  110.70000
   74    61    62    35.00000  109.50000
   74    61    63    50.00000  109.50000
   74    69    70    35.00000  109.50000
   75    69    70    37.50000  110.70000
   75    69    74    50.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   68    63    64    35.00000  109.50000
   68    63    65    50.00000  109.50000
   68    71    72   100.00000  108.23000
   68    71    73   100.00000  108.23000
   68    71    79    45.00000  102.60000
   71    79    80    45.00000  108.50000
   73    71    72   140.00000  119.90000
   79    71    72   100.00000  108.23000
   79    71    73   100.00000  108.23000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    52   0.56750  1.0 1.0
   29    33    39    52  -0.07550 -1.0 2.0
   29    33    39    52   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    46   0.62750  1.0 1.0
   33    39    41    46  -0.30950 -1.0 2.0
   33    39    41    46   0.27300  1.0 3.0
   33    39    52    47   0.06250  1.0 1.0
   33    39    52    47  -0.01100 -1.0 2.0
   33    39    52    47   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    52   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    52   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41    43    45   0.15000  1.0 3.0
   39    41   -43    47   0.56750  1.0 1.0
   39    41   -43    47  -0.07550 -1.0 2.0
   39    41   -43    47   0.20000  1.0 3.0
   39    41    46    49  -2.65550  1.0 1.0
   39    41    46    49  -0.22350 -1.0 2.0
   39    41    46    49   0.24150  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    46   0.23400  1.0 3.0
   40    39    52    47   0.37050  1.0 3.0
   41    39   -52    47   0.06250  1.0 1.0
   41    39   -52    47  -0.01100 -1.0 2.0
   41    39   -52    47   0.28050  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43   -47    52   0.62750  1.0 1.0
   41    43   -47    52  -0.30950 -1.0 2.0
   41    43   -47    52   0.27300  1.0 3.0
   41    43    47    53   0.56750  1.0 1.0
   41    43    47    53  -0.07550 -1.0 2.0
   41    43    47    53   0.20000  1.0 3.0
   41    46    49    50   0.00000  1.0 1.0
   41    46    49    51   0.00000  1.0 1.0
   41    46    49    57   0.05050  1.0 1.0
   41    46    49    57  -1.30700 -1.0 2.0
   41    46    49    57   0.91550  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    46    49   0.03000  1.0 3.0
   43    41    46    49  -2.65550  1.0 1.0
   43    41    46    49  -0.22350 -1.0 2.0
   43    41    46    49   0.24150  1.0 3.0
   43    47   -52    39   0.06250  1.0 1.0
   43    47   -52    39  -0.01100 -1.0 2.0
   43    47   -52    39   0.28050  1.0 3.0
   43    47    53    54   0.15000  1.0 3.0
   43    47    53    55   0.15000  1.0 3.0
   43    47    53    56   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    52   0.23400  1.0 3.0
   44    43    47    53   0.15000  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    52   0.23400  1.0 3.0
   45    43    47    53   0.15000  1.0 3.0
   48    47    52    39   0.37050  1.0 3.0
   48    47    53    54   0.15000  1.0 3.0
   48    47    53    55   0.15000  1.0 3.0
   48    47    53    56   0.15000  1.0 3.0
   52    39    41    42   0.23400  1.0 3.0
   52    39   -41    43   0.62750  1.0 1.0
   52    39   -41    43  -0.30950 -1.0 2.0
   52    39   -41    43   0.27300  1.0 3.0
   52    39    41    46   1.11900  1.0 1.0
   52    39    41    46  -1.16350 -1.0 2.0
   52    39    41    46  -0.34150  1.0 3.0
   52    47    53    54   0.23400  1.0 3.0
   52    47    53    55   0.23400  1.0 3.0
   52    47    53    56   0.23400  1.0 3.0
   53    47    52    39   0.06250  1.0 1.0
   53    47    52    39  -0.01100 -1.0 2.0
   53    47    52    39   0.28050  1.0 3.0
   46    41    43    44   0.23400  1.0 3.0
   46    41    43    45   0.23400  1.0 3.0
   46    41    43    47   0.62750  1.0 1.0
   46    41    43    47  -0.30950 -1.0 2.0
   46    41    43    47   0.27300  1.0 3.0
   46    49    57    58   0.05050  1.0 1.0
   46    49    57    58  -1.30700 -1.0 2.0
   46    49    57    58   0.91550  1.0 3.0
   49    57    58    59   0.03000  1.0 3.0
   49    57    58    60   0.03000  1.0 3.0
   49    57    58    61  -2.65550  1.0 1.0
   49    57    58    61  -0.22350 -1.0 2.0
   49    57    58    61   0.24150  1.0 3.0
   50    49    57    58   0.00000  1.0 1.0
   51    49    57    58   0.00000  1.0 1.0
   57    58    61    62   0.23400  1.0 3.0
   57    58    61    63   0.62750  1.0 1.0
   57    58    61    63  -0.30950 -1.0 2.0
   57    58    61    63   0.27300  1.0 3.0
   57    58    61    74   1.11900  1.0 1.0
   57    58    61    74  -1.16350 -1.0 2.0
   57    58    61    74  -0.34150  1.0 3.0
   58    61    63    64   0.15000  1.0 3.0
   58    61    63    65   0.56750  1.0 1.0
   58    61    63    65  -0.07550 -1.0 2.0
   58    61    63    65   0.20000  1.0 3.0
   58    61    63    68   0.62750  1.0 1.0
   58    61    63    68  -0.30950 -1.0 2.0
   58    61    63    68   0.27300  1.0 3.0
   58    61    74    69   0.06250  1.0 1.0
   58    61    74    69  -0.01100 -1.0 2.0
   58    61    74    69   0.28050  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    74   0.23400  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    74   0.23400  1.0 3.0
   61    63    65    66   0.15000  1.0 3.0
   61    63    65    67   0.15000  1.0 3.0
   61    63   -65    69   0.56750  1.0 1.0
   61    63   -65    69  -0.07550 -1.0 2.0
   61    63   -65    69   0.20000  1.0 3.0
   61    63    68    71  -2.65550  1.0 1.0
   61    63    68    71  -0.22350 -1.0 2.0
   61    63    68    71   0.24150  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65   0.15000  1.0 3.0
   62    61    63    68   0.23400  1.0 3.0
   62    61    74    69   0.37050  1.0 3.0
   63    61   -74    69   0.06250  1.0 1.0
   63    61   -74    69  -0.01100 -1.0 2.0
   63    61   -74    69   0.28050  1.0 3.0
   63    65    69    70   0.15000  1.0 3.0
   63    65   -69    74   0.62750  1.0 1.0
   63    65   -69    74  -0.30950 -1.0 2.0
   63    65   -69    74   0.27300  1.0 3.0
   63    65    69    75   0.56750  1.0 1.0
   63    65    69    75  -0.07550 -1.0 2.0
   63    65    69    75   0.20000  1.0 3.0
   63    68    71    72   0.00000  1.0 1.0
   63    68    71    73   0.00000  1.0 1.0
   63    68    71    79   0.05050  1.0 1.0
   63    68    71    79  -1.30700 -1.0 2.0
   63    68    71    79   0.91550  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    67   0.15000  1.0 3.0
   64    63    65    69   0.15000  1.0 3.0
   64    63    68    71   0.03000  1.0 3.0
   65    63    68    71  -2.65550  1.0 1.0
   65    63    68    71  -0.22350 -1.0 2.0
   65    63    68    71   0.24150  1.0 3.0
   65    69   -74    61   0.06250  1.0 1.0
   65    69   -74    61  -0.01100 -1.0 2.0
   65    69   -74    61   0.28050  1.0 3.0
   65    69    75    76   0.15000  1.0 3.0
   65    69    75    77   0.15000  1.0 3.0
   65    69    75    78   0.15000  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    74   0.23400  1.0 3.0
   66    65    69    75   0.15000  1.0 3.0
   67    65    69    70   0.15000  1.0 3.0
   67    65    69    74   0.23400  1.0 3.0
   67    65    69    75   0.15000  1.0 3.0
   70    69    74    61   0.37050  1.0 3.0
   70    69    75    76   0.15000  1.0 3.0
   70    69    75    77   0.15000  1.0 3.0
   70    69    75    78   0.15000  1.0 3.0
   74    61    63    64   0.23400  1.0 3.0
   74    61   -63    65   0.62750  1.0 1.0
   74    61   -63    65  -0.30950 -1.0 2.0
   74    61   -63    65   0.27300  1.0 3.0
   74    61    63    68   1.11900  1.0 1.0
   74    61    63    68  -1.16350 -1.0 2.0
   74    61    63    68  -0.34150  1.0 3.0
   74    69    75    76   0.23400  1.0 3.0
   74    69    75    77   0.23400  1.0 3.0
   74    69    75    78   0.23400  1.0 3.0
   75    69    74    61   0.06250  1.0 1.0
   75    69    74    61  -0.01100 -1.0 2.0
   75    69    74    61   0.28050  1.0 3.0
   68    63    65    66   0.23400  1.0 3.0
   68    63    65    67   0.23400  1.0 3.0
   68    63    65    69   0.62750  1.0 1.0
   68    63    65    69  -0.30950 -1.0 2.0
   68    63    65    69   0.27300  1.0 3.0
   68    71    79    80   0.00000  1.0 1.0
   72    71    79    80   0.00000  1.0 1.0
   73    71    79    80   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
END
