* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    148    231     437
    1     0 S   NP   _N1_     1    29.74528    91.72198   -24.47085
    2     1 S   H    _HN1     2     1.02967    97.41366    23.47771
    3     1 S   H    _H1_     3     1.02833     9.77911  -165.80774
    4     1 S   H    _H2_     4     1.02783   110.43751   -89.22550
    5     1 S   CT   _CA1     5     1.50127   116.85491   140.87167
    6     5 S   HC   _HA1     6     1.09574   105.25806    67.68239
    7     5 S   CO3  _C1_     7     1.53782   112.35094   -52.55510
    8     7 S   O2Z  _O11     8     1.26354   115.01452   -45.12677
    9     7 S   O2Z  _O12     9     1.26241   114.90669   134.05434
   10     5 S   CT   _CB1    10     1.53063   107.38322  -174.44713
   11    10 S   HC   HB11    11     1.09826   109.28720   -51.16087
   12    10 S   HC   HB12    12     1.09836   110.41032    65.31624
   13    10 S   CT   _CG1    13     1.53047   112.77239  -172.33010
   14    13 S   HC   HG11    14     1.09591   110.37981   -62.73125
   15    13 S   HC   HG12    15     1.09629   110.14842    56.60275
   16    13 S   C    _CD1    16     1.51757   112.04356   176.81586
   17    16 S   O    _OE1    17     1.22754   123.10145    -7.47580
   18    16 S   N    _N2_    18     1.38680   111.85544   172.85551
   19    18 S   H    _HN2    19     1.01583   119.12870     2.45663
   20    18 S   CT1  _CA2    20     1.46090   123.23205  -178.38481
   21    20 S   HC   _HA2    21     1.09580   109.26180    -3.01805
   22    20 S   C    _C2_    22     1.53474   109.24945  -118.16649
   23    22 S   O    _O2_    23     1.23053   121.96059  -149.00703
   24    20 S   CT   _CB2    32     1.53524   111.83834   119.07599
   25    24 S   HC   HB21    33     1.09677   109.38410    66.57503
   26    24 S   HC   HB22    34     1.09540   110.76444  -176.72643
   27    22 S   N    _N3_    24     1.38424   113.66663    38.59722
   28    27 S   H    _HN3    25     1.01492   118.97695    -0.79868
   29    24 S   S    _SG2    35     1.83072   115.45759   -52.87534
   30    27 S   CT   _CA3    26     1.45452   123.47389   174.69651
   31    30 S   HC   HA31    27     1.09521   109.26728    24.06162
   32    30 S   HC   HA32    28     1.09495   107.12226   141.10374
   33    29 S   CT   _C8_    36     1.82838   101.06807   -60.60631
   34    33 S   HC   _H3_    37     1.09451   108.10056    54.83790
   35    30 S   CO3  _C3_    29     1.52935   113.07301   -99.40994
   36    35 S   O2Z  _O31    30     1.26406   115.40654   -43.80999
   37    35 S   O2Z  _O32    31     1.26353   114.97670   137.08523
   38    33 S   CT   _C7_    38     1.52663   112.80485   -66.71921
   39    38 S   HC   _H11    39     1.09453   110.48525    79.73510
   40    38 S   HC   _H12    40     1.09637   112.14808   -42.70544
   41    38 S   CM   _C6_    41     1.51331   103.13456  -160.31889
   42    41 S   CM   _C5_    42     1.34777   124.67444  -161.90223
   43    41 S   CT   _C10    56     1.53463   110.25772    14.44414
   44    43 S   HC   _H4_    57     1.09796   109.89952   126.92447
   45    42 S   CT   _C14    43     1.50779   121.86642   176.76257
   46    45 S   HC   _H13    44     1.09858   109.85954    58.89237
   47    45 S   HC   _H14    45     1.09809   109.10649   171.93209
   48    33 S   CT   _C9_    58     1.54072   114.78863   175.53634
   49    42 S   CT   _C4_    75     1.50600   123.59485    -3.40065
   50    49 S   HC   _H8_    76     1.09502   110.01126   117.21492
   51    49 S   HC   _H9_    77     1.09291   113.48947    -3.57610
   52    49 S   HC   _H10    78     1.09537   110.06321  -123.34283
   53    45 S   CT   _C13    46     1.54027   114.26429   -65.57706
   54    53 S   HC   _H7_    47     1.09799   111.24828   -46.96011
   55    48 S   CT   _C20    59     1.52573   113.29135   -64.72992
   56    55 S   HC   _H20    60     1.09617   111.05647    72.52295
   57    55 S   HC   _H21    61     1.09386   112.40865   -47.91876
   58    55 S   HC   _H22    62     1.09567   110.72388  -170.36255
   59    48 S   OH   _O37    63     1.44137   109.39191    54.09797
   60    59 S   HO   _H23    64     0.97256   107.83785   179.50822
   61    53 S   CT   _C12    48     1.53603   111.95882    76.55398
   62    61 S   HC   _H6_    49     1.10116   108.25577    60.27214
   63    53 S   OS   _O33    68     1.45213   106.55862  -166.56052
   64    61 S   CM   _C17    50     1.49831   118.86351  -179.56299
   65    63 S   CO4  _C15    69     1.36358   117.34468    86.14054
   66    65 S   O    _O34    70     1.22303   126.35711    -0.28393
   67    64 S   CO4  _C19    51     1.48201   106.74326   158.19375
   68    67 S   O    _O35    52     1.21670   127.53443   164.70008
   69    64 S   CM   _C18    65     1.33521   132.29826   -19.01603
   70    69 S   HC   _H18    66     1.08292   121.89919    -1.36673
   71    69 S   HC   _H19    67     1.08571   121.40766   178.45262
   72    65 S   CT   _C16    71     1.49824   109.49831   179.74131
   73    72 S   HC   _H15    72     1.09292   109.82354   -60.77980
   74    72 S   HC   _H16    73     1.09377   109.36046  -179.81025
   75    72 S   HC   _H17    74     1.09287   109.82527    61.13016
   76    67 S   OS   _O36    53     1.36558   106.25294   -13.82177
   77    61 S   CT   _C11    54     1.53181   116.04787   -63.50280
   78    77 S   HC   _H5_    55     1.10114   111.03981   -53.79060
  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
  16   8   2   1   1  12   5   4  18  15  18   7  14   6   5  10
   4   2   1   1  13   6   6   3   2   1   2   1  12   7   8   8
   5   4   7   3   4   1   1   3   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    48    55    59  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    77    43    44    48    55    56    57    58    59    60  
   38    39    40    41    43    48    55    59  
   36    37  
   37  
    0  
   39    40    41    42    45    77    43    44    48    55    59    49  
   40    41    42    43    48  
   41    42    43    48  
   42    45    46    47    53    61    76    77    78    43    44    48    55    59    49    50    51    52  
   45    46    47    53    54    61    77    43    44    48    63    49    50    51    52  
   44    48    55    56    57    58    59    60    49    45    53    61    62    64    67    76    77    78  
   48    55    59    61    76    77    78  
   46    47    53    54    61    62    64    77    63    65    49    50    51    52  
   47    53    54    61    63    49  
   53    54    61    63    49  
   55    56    57    58    59    60    61    76    77    78  
   50    51    52    53  
   51    52  
   52  
    0  
   54    61    62    64    67    76    77    78    69    63    65    66    72  
   61    62    64    77    63    65  
   56    57    58    59    60    77  
   57    58    59  
   58    59  
   59  
   60    77  
    0  
   62    64    67    68    76    77    78    69    70    71    63    65  
   64    67    76    77    78    69    63  
   65    66    72    73    74    75    64    77  
   67    68    76    77    78    69    70    71  
   66    72    73    74    75  
   72    73    74    75  
   68    76    77    78    69    70    71  
   76    77    69  
   70    71    76    77  
   71  
    0  
   73    74    75  
   74    75  
   75  
    0  
   77    78  
   78  
    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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    48   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.510
   41    42   549.000  1.340
   41    43   317.000  1.510
   42    45   317.000  1.510
   42    49   317.000  1.510
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    53   268.000  1.529
   53    54   340.000  1.090
   53    61   268.000  1.529
   53    63   320.000  1.410
   61    62   340.000  1.090
   61    64   317.000  1.510
   61    77   268.000  1.529
   64    67   320.000  1.462
   64    69   549.000  1.340
   67    68   570.000  1.229
   67    76   214.000  1.327
   76    77   320.000  1.410
   77    78   340.000  1.090
   77    43   268.000  1.529
   43    44   340.000  1.090
   43    48   268.000  1.529
   48    55   268.000  1.529
   48    59   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   553.000  0.945
   69    70   340.000  1.080
   69    71   340.000  1.080
   63    65   214.000  1.327
   65    66   570.000  1.229
   65    72   317.000  1.522
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    48    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    70.00000  112.02700
   33    48    43    58.35000  112.70000
   33    48    55    58.35000  112.70000
   33    48    59    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    70.00000  124.00000
   38    41    43    65.00000  117.92700
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    42    45    70.00000  124.00000
   41    42    49    70.00000  124.00000
   41    43    77    70.00000  112.02700
   41    43    44    35.00000  109.50000
   41    43    48    70.00000  112.02700
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    53    70.00000  112.02700
   42    49    50    35.00000  109.50000
   42    49    51    35.00000  109.50000
   42    49    52    35.00000  109.50000
   45    53    54    37.50000  110.70000
   45    53    61    58.35000  112.70000
   45    53    63    50.00000  109.50000
   47    45    46    33.00000  107.80000
   53    45    46    37.50000  110.70000
   53    45    47    37.50000  110.70000
   53    61    62    37.50000  110.70000
   53    61    64    70.00000  112.02700
   53    61    77    58.35000  112.70000
   53    63    65    83.00000  116.90000
   61    53    54    37.50000  110.70000
   61    64    67    65.00000  116.34900
   61    64    69    70.00000  124.00000
   61    77    76    50.00000  109.50000
   61    77    78    37.50000  110.70000
   61    77    43    58.35000  112.70000
   64    61    62    35.00000  109.50000
   64    67    68    80.00000  123.72100
   64    67    76    90.00000  111.29400
   64    69    70    35.00000  120.00000
   64    69    71    35.00000  120.00000
   67    76    77    83.00000  116.90000
   76    67    68    83.00000  123.40000
   76    77    78    35.00000  109.50000
   76    77    43    50.00000  109.50000
   77    61    62    37.50000  110.70000
   77    61    64    70.00000  112.02700
   77    43    44    37.50000  110.70000
   77    43    48    58.35000  112.70000
   43    41    42    70.00000  124.00000
   43    77    78    37.50000  110.70000
   43    48    55    58.35000  112.70000
   43    48    59    50.00000  109.50000
   48    33    34    37.50000  110.70000
   48    33    38    58.35000  112.70000
   48    43    44    37.50000  110.70000
   48    55    56    37.50000  110.70000
   48    55    57    37.50000  110.70000
   48    55    58    37.50000  110.70000
   48    59    60    55.00000  108.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    48    55    50.00000  109.50000
   69    64    67    65.00000  118.96000
   71    69    70    35.00000  117.00000
   63    53    54    35.00000  109.50000
   63    53    61    50.00000  109.50000
   63    65    66    83.00000  123.40000
   63    65    72    81.00000  111.40000
   65    72    73    35.00000  109.50000
   65    72    74    35.00000  109.50000
   65    72    75    35.00000  109.50000
   72    65    66    80.00000  120.40000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   49    42    45    65.00000  117.92700
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    48    43   0.44750  1.0 1.0
   29    33    48    43  -0.17800 -1.0 2.0
   29    33    48    43   0.20200  1.0 3.0
   29    33    48    55   0.44750  1.0 1.0
   29    33    48    55  -0.17800 -1.0 2.0
   29    33    48    55   0.20200  1.0 3.0
   29    33    48    59   0.56750  1.0 1.0
   29    33    48    59  -0.07550 -1.0 2.0
   29    33    48    59   0.20000  1.0 3.0
   33    38    41    42   0.09850  1.0 1.0
   33    38    41    42   0.15250 -1.0 2.0
   33    38    41    42  -0.50650  1.0 3.0
   33    38   -41    43   0.46850  1.0 1.0
   33    38   -41    43   0.08550 -1.0 2.0
   33    38   -41    43   0.09800  1.0 3.0
   33    48    55    56   0.15000  1.0 3.0
   33    48    55    57   0.15000  1.0 3.0
   33    48    55    58   0.15000  1.0 3.0
   33    48    59    60  -0.11600  1.0 1.0
   33    48    59    60  -0.09450 -1.0 2.0
   33    48    59    60   0.21250  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    48    43   0.15000  1.0 3.0
   34    33    48    55   0.15000  1.0 3.0
   34    33    48    59   0.23400  1.0 3.0
   38    33   -48    43   0.56750  1.0 1.0
   38    33   -48    43  -0.07550 -1.0 2.0
   38    33   -48    43   0.20000  1.0 3.0
   38    33    48    55   0.56750  1.0 1.0
   38    33    48    55  -0.07550 -1.0 2.0
   38    33    48    55   0.20000  1.0 3.0
   38    33    48    59   0.86500  1.0 1.0
   38    33    48    59  -0.17500 -1.0 2.0
   38    33    48    59   0.20800  1.0 3.0
   38    41    42    45   7.00000 -1.0 2.0
   38    41    42    49   7.00000 -1.0 2.0
   38    41    43    77   0.46850  1.0 1.0
   38    41    43    77   0.08550 -1.0 2.0
   38    41    43    77   0.09800  1.0 3.0
   38    41    43    44   0.34800  1.0 3.0
   38    41   -43    48   0.46850  1.0 1.0
   38    41   -43    48   0.08550 -1.0 2.0
   38    41   -43    48   0.09800  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.34800  1.0 3.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.34800  1.0 3.0
   41    42    45    46   0.00000  1.0 1.0
   41    42    45    47   0.00000  1.0 1.0
   41    42    45    53   0.09850  1.0 1.0
   41    42    45    53   0.15250 -1.0 2.0
   41    42    45    53  -0.50650  1.0 3.0
   41    42    49    50   0.00000  1.0 1.0
   41    42    49    51   0.00000  1.0 1.0
   41    42    49    52   0.00000  1.0 1.0
   41    43   -48    33   0.34400  1.0 1.0
   41    43   -48    33   0.09450 -1.0 2.0
   41    43   -48    33   0.11100  1.0 3.0
   41    43    48    55   0.34400  1.0 1.0
   41    43    48    55   0.09450 -1.0 2.0
   41    43    48    55   0.11100  1.0 3.0
   41    43    48    59   1.05650  1.0 1.0
   41    43    48    59   0.15600 -1.0 2.0
   41    43    48    59   0.53150  1.0 3.0
   42    41    43    77   0.09850  1.0 1.0
   42    41    43    77   0.15250 -1.0 2.0
   42    41    43    77  -0.50650  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    48   0.09850  1.0 1.0
   42    41    43    48   0.15250 -1.0 2.0
   42    41    43    48  -0.50650  1.0 3.0
   42    45    53    54   0.15000  1.0 3.0
   42    45    53    61   0.34400  1.0 1.0
   42    45    53    61   0.09450 -1.0 2.0
   42    45    53    61   0.11100  1.0 3.0
   42    45    53    63   0.61850  1.0 1.0
   42    45    53    63  -0.22750 -1.0 2.0
   42    45    53    63   0.15300  1.0 3.0
   45    42    49    50   0.34800  1.0 3.0
   45    42    49    51   0.34800  1.0 3.0
   45    42    49    52   0.34800  1.0 3.0
   45    53    61    62   0.15000  1.0 3.0
   45    53    61    64   0.34400  1.0 1.0
   45    53    61    64   0.09450 -1.0 2.0
   45    53    61    64   0.11100  1.0 3.0
   45    53    61    77   0.56750  1.0 1.0
   45    53    61    77  -0.07550 -1.0 2.0
   45    53    61    77   0.20000  1.0 3.0
   45    53    63    65  -0.25900  1.0 1.0
   45    53    63    65  -0.47000 -1.0 2.0
   45    53    63    65   0.11750  1.0 3.0
   46    45    53    54   0.15000  1.0 3.0
   46    45    53    61   0.15000  1.0 3.0
   46    45    53    63   0.23400  1.0 3.0
   47    45    53    54   0.15000  1.0 3.0
   47    45    53    61   0.15000  1.0 3.0
   47    45    53    63   0.23400  1.0 3.0
   53    61    64    67   0.09700  1.0 1.0
   53    61    64    67   0.15600 -1.0 2.0
   53    61    64    67  -0.50800  1.0 3.0
   53    61    64    69   0.09850  1.0 1.0
   53    61    64    69   0.15250 -1.0 2.0
   53    61    64    69  -0.50650  1.0 3.0
   53    61    77    76   0.62750  1.0 1.0
   53    61    77    76  -0.30950 -1.0 2.0
   53    61    77    76   0.27300  1.0 3.0
   53    61    77    78   0.15000  1.0 3.0
   53    61    77    43   0.56750  1.0 1.0
   53    61    77    43  -0.07550 -1.0 2.0
   53    61    77    43   0.20000  1.0 3.0
   53    63    65    66   3.00000 -1.0 2.0
   53    63    65    72   1.63150  1.0 1.0
   53    63    65    72   2.92000 -1.0 2.0
   54    53    61    62   0.15000  1.0 3.0
   54    53    61    64   0.15000  1.0 3.0
   54    53    61    77   0.15000  1.0 3.0
   54    53    63    65   0.08050  1.0 3.0
   61    53    63    65  -0.25900  1.0 1.0
   61    53    63    65  -0.47000 -1.0 2.0
   61    53    63    65   0.11750  1.0 3.0
   61    64    67    68  -0.64400  1.0 1.0
   61    64    67    68   0.26850 -1.0 2.0
   61    64   -67    76  -0.15000  1.0 1.0
   61    64   -67    76   0.89550 -1.0 2.0
   61    64   -67    76  -0.06900  1.0 3.0
   61    64    69    70   7.00000 -1.0 2.0
   61    64    69    71   7.00000 -1.0 2.0
   61    77    43    41   0.34400  1.0 1.0
   61    77    43    41   0.09450 -1.0 2.0
   61    77    43    41   0.11100  1.0 3.0
   61    77    43    44   0.15000  1.0 3.0
   61    77    43    48   0.56750  1.0 1.0
   61    77    43    48  -0.07550 -1.0 2.0
   61    77    43    48   0.20000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   62    61    64    69   0.00000  1.0 1.0
   62    61    77    76   0.23400  1.0 3.0
   62    61    77    78   0.15000  1.0 3.0
   62    61    77    43   0.15000  1.0 3.0
   64    61   -77    76   0.61850  1.0 1.0
   64    61   -77    76  -0.22750 -1.0 2.0
   64    61   -77    76   0.15300  1.0 3.0
   64    61    77    78   0.15000  1.0 3.0
   64    61    77    43   0.34400  1.0 1.0
   64    61    77    43   0.09450 -1.0 2.0
   64    61    77    43   0.11100  1.0 3.0
   64    67   -76    77   2.00000 -1.0 2.0
   67    64    69    70   7.00000 -1.0 2.0
   67    64    69    71   7.00000 -1.0 2.0
   67    76   -77    61  -0.25900  1.0 1.0
   67    76   -77    61  -0.47000 -1.0 2.0
   67    76   -77    61   0.11750  1.0 3.0
   67    76    77    78   0.08050  1.0 3.0
   67    76    77    43  -0.25900  1.0 1.0
   67    76    77    43  -0.47000 -1.0 2.0
   67    76    77    43   0.11750  1.0 3.0
   68    67    76    77   3.00000 -1.0 2.0
   76    77    43    41   0.61850  1.0 1.0
   76    77    43    41  -0.22750 -1.0 2.0
   76    77    43    41   0.15300  1.0 3.0
   76    77    43    44   0.23400  1.0 3.0
   76    77    43    48   0.62750  1.0 1.0
   76    77    43    48  -0.30950 -1.0 2.0
   76    77    43    48   0.27300  1.0 3.0
   77    61   -64    67   0.09700  1.0 1.0
   77    61   -64    67   0.15600 -1.0 2.0
   77    61   -64    67  -0.50800  1.0 3.0
   77    61    64    69   0.09850  1.0 1.0
   77    61    64    69   0.15250 -1.0 2.0
   77    61    64    69  -0.50650  1.0 3.0
   77    43    48    33   0.56750  1.0 1.0
   77    43    48    33  -0.07550 -1.0 2.0
   77    43    48    33   0.20000  1.0 3.0
   77    43    48    55   0.56750  1.0 1.0
   77    43    48    55  -0.07550 -1.0 2.0
   77    43    48    55   0.20000  1.0 3.0
   77    43    48    59   0.86500  1.0 1.0
   77    43    48    59  -0.17500 -1.0 2.0
   77    43    48    59   0.20800  1.0 3.0
   78    77    43    41   0.15000  1.0 3.0
   78    77    43    44   0.15000  1.0 3.0
   78    77    43    48   0.15000  1.0 3.0
   43    41    42    45   7.00000 -1.0 2.0
   43    41    42    49   7.00000 -1.0 2.0
   43    48    55    56   0.15000  1.0 3.0
   43    48    55    57   0.15000  1.0 3.0
   43    48    55    58   0.15000  1.0 3.0
   43    48    59    60  -0.11600  1.0 1.0
   43    48    59    60  -0.09450 -1.0 2.0
   43    48    59    60   0.21250  1.0 3.0
   44    43    48    33   0.15000  1.0 3.0
   44    43    48    55   0.15000  1.0 3.0
   44    43    48    59   0.23400  1.0 3.0
   48    33    38    39   0.15000  1.0 3.0
   48    33    38    40   0.15000  1.0 3.0
   48    33   -38    41   0.34400  1.0 1.0
   48    33   -38    41   0.09450 -1.0 2.0
   48    33   -38    41   0.11100  1.0 3.0
   55    48    59    60  -0.11600  1.0 1.0
   55    48    59    60  -0.09450 -1.0 2.0
   55    48    59    60   0.21250  1.0 3.0
   59    48    55    56   0.23400  1.0 3.0
   59    48    55    57   0.23400  1.0 3.0
   59    48    55    58   0.23400  1.0 3.0
   69    64    67    68   1.00000 -1.0 2.0
   69    64    67    76  -0.56150  1.0 1.0
   69    64    67    76   2.19150 -1.0 2.0
   63    53    61    62   0.23400  1.0 3.0
   63    53    61    64   0.61850  1.0 1.0
   63    53    61    64  -0.22750 -1.0 2.0
   63    53    61    64   0.15300  1.0 3.0
   63    53    61    77   0.62750  1.0 1.0
   63    53    61    77  -0.30950 -1.0 2.0
   63    53    61    77   0.27300  1.0 3.0
   63    65    72    73   0.00000  1.0 1.0
   63    65    72    74   0.00000  1.0 1.0
   63    65    72    75   0.00000  1.0 1.0
   66    65    72    73   0.00000  1.0 1.0
   66    65    72    74   0.00000  1.0 1.0
   66    65    72    75   0.00000  1.0 1.0
   49    42    45    46   0.34800  1.0 3.0
   49    42    45    47   0.34800  1.0 3.0
   49    42    45    53   0.46850  1.0 1.0
   49    42    45    53   0.08550 -1.0 2.0
   49    42    45    53   0.09800  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
   38    43    41    42   1.10000 -1.0 2.0
   45    49    42    41   1.10000 -1.0 2.0
   61    67    64    69   1.10000 -1.0 2.0
   64    76    67    68  10.50000 -1.0 2.0
   70    71    69    64   1.10000 -1.0 2.0
   63    72    65    66  10.50000 -1.0 2.0
END
