* LIGAND DATABASE FILE (OPLS2005)
*
001      80    83    149    244     441
    1     0 S   NP   _N1_     1    28.72698    95.65342   -20.98298
    2     1 S   H    _HN1     2     1.02953    82.99705    44.82051
    3     1 S   H    _H1_     3     1.02826    36.82688   175.76992
    4     1 S   H    _H2_     4     1.02777    90.22122   -63.68150
    5     1 S   CT   _CA1     5     1.50145   146.94504   161.82087
    6     5 S   HC   _HA1     6     1.09584   105.11503    67.79818
    7     5 S   CO3  _C1_     7     1.53733   112.64386   -52.07544
    8     7 S   O2Z  _O11     8     1.26350   115.04991   -37.29938
    9     7 S   O2Z  _O12     9     1.26261   114.93822   141.76880
   10     5 S   CT   _CB1    10     1.53106   107.39931  -174.42170
   11    10 S   HC   HB11    11     1.09814   109.05945   -51.06741
   12    10 S   HC   HB12    12     1.09814   110.48552    65.44402
   13    10 S   CT   _CG1    13     1.52966   112.75074  -172.28528
   14    13 S   HC   HG11    14     1.09575   110.31718   -68.67835
   15    13 S   HC   HG12    15     1.09676   109.97947    50.44291
   16    13 S   C    _CD1    16     1.51848   112.59076   170.52232
   17    16 S   O    _OE1    17     1.22703   123.38354    -2.60955
   18    16 S   N    _N2_    18     1.38575   111.47720   178.06498
   19    18 S   H    _HN2    19     1.01617   118.83315    -0.62558
   20    18 S   CT1  _CA2    20     1.46288   123.69003   177.41578
   21    20 S   HC   _HA2    21     1.09742   109.36729   -13.86502
   22    20 S   C    _C2_    22     1.53436   107.99826  -129.15020
   23    22 S   O    _O2_    23     1.23012   122.51332  -147.08926
   24    20 S   CT   _CB2    32     1.53354   111.26253   108.66903
   25    24 S   HC   HB21    33     1.09371   109.28008    50.46580
   26    24 S   HC   HB22    34     1.09477   110.77623   169.26113
   27    22 S   N    _N3_    24     1.38412   113.34612    40.48393
   28    27 S   H    _HN3    25     1.01652   119.49169    -3.67019
   29    24 S   S    _SG2    35     1.82947   111.11962   -71.89739
   30    27 S   CT   _CA3    26     1.45286   123.11281   176.92961
   31    30 S   HC   HA31    27     1.09553   107.55614   -63.04104
   32    30 S   HC   HA32    28     1.09558   107.90931    53.35858
   33    29 S   CT   _C23    36     1.86733   101.78867   153.86015
   34    30 S   CO3  _C3_    29     1.52931   114.14134   175.32270
   35    34 S   O2Z  _O31    30     1.26364   116.05550    -0.59873
   36    34 S   O2Z  _O32    31     1.26430   114.41202   179.44433
   37    33 S   C    _C24    37     1.52309   106.13726   -73.52198
   38    37 S   O    _O35    38     1.22383   123.77791    94.16923
   39    33 S   CT   _C22    78     1.53274   110.29465    51.52709
   40    39 S   HC   _H20    79     1.09848   109.72822    45.18833
   41    39 S   HC   _H21    80     1.09631   111.30826   -72.77924
   42    37 S   N    _N4_    39     1.39365   107.29722   -86.84483
   43    42 S   CA   _C14    40     1.42990   124.15534   168.41248
   44    42 S   C    _C17    65     1.39050   111.52245   -11.98574
   45    44 S   O    _O34    66     1.22318   129.99391   172.27023
   46    43 S   CA   _C13    41     1.40384   121.29831   -19.64924
   47    46 S   HA   _H11    42     1.08611   121.66292    -1.99929
   48    33 S   CT   _C18    67     1.53729   108.68574   178.07166
   49    48 S   HC   _H3_    68     1.09641   111.84690   -36.82402
   50    46 S   CA   _C12    43     1.40238   121.59739  -179.62154
   51    50 S   HA   _H10    44     1.08583   117.74037   179.31700
   52    48 S   CT   _C19    69     1.53523   114.84445  -162.16429
   53    52 S   HC   _H14    70     1.09853   110.74385   -76.63482
   54    52 S   HC   _H15    71     1.09722   109.23811   167.49596
   55    50 S   CA   _C11    45     1.39185   120.34319     0.02798
   56    52 S   CT   _C20    72     1.51930   112.66917    45.47839
   57    56 S   HC   _H16    73     1.09579   109.60421  -177.34686
   58    56 S   HC   _H17    74     1.09661   109.94266    65.20068
   59    55 S   CA   _C16    46     1.39384   118.76240    -0.13122
   60    59 S   HA   _H13    47     1.08770   120.06560  -179.64392
   61    55 S   OS   _O33    50     1.36774   126.19254   179.85196
   62    56 S   CT   _C21    75     1.52023   110.37618   -56.42831
   63    62 S   HC   _H18    76     1.09605   109.57906  -178.58819
   64    62 S   HC   _H19    77     1.09671   109.97274   -61.40054
   65    43 S   CA   _C15    48     1.40217   121.46038   160.74058
   66    65 S   HA   _H12    49     1.08544   121.93490    -2.32793
   67    61 S   CT   _C10    51     1.42578   117.02549    -2.37356
   68    67 S   HC   _H8_    52     1.09720   110.42709    64.53348
   69    67 S   HC   _H9_    53     1.09587   111.12853   -56.31831
   70    67 S   CA   _C9_    54     1.50603   107.79799  -175.56792
   71    70 S   CA   _C4_    55     1.40126   120.61094   -92.02146
   72    71 S   HA   _H4_    56     1.08727   120.31834    -1.01414
   73    71 S   CA   _C5_    57     1.39603   120.44642   178.89713
   74    73 S   HA   _H5_    58     1.08662   119.39124   179.80021
   75    73 S   CA   _C6_    59     1.39418   119.72096    -0.37115
   76    75 S   Cl   Cl1_    60     1.72205   119.75150  -179.96044
   77    75 S   CA   _C7_    61     1.39396   120.48796    -0.15066
   78    77 S   HA   _H6_    62     1.08658   120.92796  -179.66721
   79    70 S   CA   _C8_    63     1.40212   120.18711    85.97720
   80    79 S   HA   _H7_    64     1.08782   120.18050     0.98556
  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  12   5   4   3
  18   2   1   1  14   5  13   6   5  12  12   9   3   8   4   8
   4   7   3   8   5   4   9   5   4   3   5   3   7   2   1   1
   1   1   9   4   3   9   8   4   6   3   5   3   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    48    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    44    48    49    52    62    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    45    48    49    52    53    54    56    62    63    64    39    40    41  
   35    36  
   36  
    0  
   38    42    43    46    65    44    45    48    49    52    62    39    40    41  
   42    43    44    48    39  
   40    41    42    44    48    49    52    56    57    58    62    63    64  
   41    48    56    62    63    64  
   48    56    62    63    64  
   43    46    47    50    59    65    66    44    45    48    49    52  
   46    47    50    51    55    59    60    65    66    44    45    48  
   45    48    49    52    53    54    56    46    65  
   48    49    52  
   47    50    51    55    59    65    66    61  
   50    51    55    65  
   49    52    53    54    56    57    58    62  
   52    53    54    56  
   51    55    59    60    65    61    67  
   55    59    61  
   53    54    56    57    58    62    63    64  
   54    56    57    58    62  
   56    57    58    62  
   59    60    65    66    61    67    68    69    70  
   57    58    62    63    64  
   58    62    63    64  
   62    63    64  
   60    65    66    61    67  
   65    66    61  
   67    68    69    70    71    79    65  
   63    64  
   64  
    0  
   66  
    0  
   68    69    70    71    72    73    77    79    80  
   69    70    71    79  
   70    71    79  
   71    72    73    74    75    77    78    79    80  
   72    73    74    75    76    77    79    80  
   73    74    75    79  
   74    75    76    77    78    79  
   75    76    77  
   76    77    78    79    80  
   77    78    79  
   78    79    80  
   79    80  
   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  -0.175000   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   0.007500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.2500   0.1700  -0.206700   1.8100   1.6000   0.054801302  -1.445846770
   43   3.5500   0.0700  -0.038300   2.5000   1.7750   0.001000000  -0.843144165
   44   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660   0.181800   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.522
   33    48   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    42   490.000  1.335
   42    43   360.000  1.404
   42    44   490.000  1.335
   43    46   469.000  1.400
   43    65   469.000  1.400
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    51   367.000  1.080
   50    55   469.000  1.400
   55    59   469.000  1.400
   55    61   450.000  1.364
   59    60   367.000  1.080
   59    65   469.000  1.400
   65    66   367.000  1.080
   61    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   317.000  1.510
   70    71   469.000  1.400
   70    79   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   300.000  1.725
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
   44    45   570.000  1.229
   44    48   317.000  1.522
   48    49   340.000  1.090
   48    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    39   268.000  1.529
   39    40   340.000  1.090
   39    41   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    70.00000  112.33000
   29    33    48    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    42    70.00000  116.60000
   33    48    44    63.00000  111.10000
   33    48    49    37.50000  110.70000
   33    48    52    58.35000  112.70000
   33    39    62    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  121.96500
   37    42    44    70.00000  121.37400
   42    37    38    80.00000  122.90000
   42    43    46    70.00000  119.01900
   42    43    65    70.00000  119.01900
   42    44    45    80.00000  122.90000
   42    44    48    70.00000  116.60000
   43    46    47    35.00000  120.00000
   43    46    50    63.00000  120.00000
   43    65    59    63.00000  120.00000
   43    65    66    35.00000  120.00000
   46    50    51    35.00000  120.00000
   46    50    55    63.00000  120.00000
   50    46    47    35.00000  120.00000
   50    55    59    63.00000  120.00000
   50    55    61    70.00000  120.00000
   55    50    51    35.00000  120.00000
   55    59    60    35.00000  120.00000
   55    59    65    63.00000  120.00000
   55    61    67    75.00000  111.00000
   59    65    66    35.00000  120.00000
   65    43    46    63.00000  120.00000
   65    59    60    35.00000  120.00000
   61    55    59    70.00000  120.00000
   61    67    68    35.00000  109.50000
   61    67    69    35.00000  109.50000
   61    67    70    85.00000  111.85700
   67    70    71    70.00000  120.00000
   67    70    79    70.00000  120.00000
   69    67    68    33.00000  107.80000
   70    67    68    35.00000  109.50000
   70    67    69    35.00000  109.50000
   70    71    72    35.00000  120.00000
   70    71    73    63.00000  120.00000
   70    79    77    63.00000  120.00000
   70    79    80    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    75.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    75.00000  120.00000
   77    79    80    35.00000  120.00000
   79    70    71    63.00000  120.00000
   79    77    78    35.00000  120.00000
   44    42    43    65.00000  121.96500
   44    48    49    35.00000  109.50000
   44    48    52    63.00000  111.10000
   48    33    37    63.00000  111.10000
   48    44    45    80.00000  120.40000
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   48    52    56    58.35000  112.70000
   52    48    49    37.50000  110.70000
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    56    62    58.35000  112.70000
   54    52    53    33.00000  107.80000
   56    52    53    37.50000  110.70000
   56    52    54    37.50000  110.70000
   56    62    63    37.50000  110.70000
   56    62    64    37.50000  110.70000
   56    62    39    58.35000  112.70000
   58    56    57    33.00000  107.80000
   62    56    57    37.50000  110.70000
   62    56    58    37.50000  110.70000
   62    39    40    37.50000  110.70000
   62    39    41    37.50000  110.70000
   64    62    63    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    48    58.35000  112.70000
   39    62    63    37.50000  110.70000
   39    62    64    37.50000  110.70000
   41    39    40    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   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
   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    37    38   0.30150 -1.0 2.0
   29    33    37    42   0.00000  1.0 1.0
   29    33    48    44   0.56750  1.0 1.0
   29    33    48    44  -0.07550 -1.0 2.0
   29    33    48    44   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    52   0.44750  1.0 1.0
   29    33    48    52  -0.17800 -1.0 2.0
   29    33    48    52   0.20200  1.0 3.0
   29    33    39    62   0.44750  1.0 1.0
   29    33    39    62  -0.17800 -1.0 2.0
   29    33    39    62   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    37    42    43   0.76000  1.0 1.0
   33    37    42    43   4.11600 -1.0 2.0
   33    37   -42    44   2.45000 -1.0 2.0
   33    48    52    53   0.15000  1.0 3.0
   33    48    52    54   0.15000  1.0 3.0
   33    48    52    56   0.56750  1.0 1.0
   33    48    52    56  -0.07550 -1.0 2.0
   33    48    52    56   0.20000  1.0 3.0
   37    33   -48    44   0.11950  1.0 1.0
   37    33   -48    44   0.20300 -1.0 2.0
   37    33   -48    44  -0.70800  1.0 3.0
   37    33    48    49  -0.11250  1.0 3.0
   37    33    48    52  -0.95700  1.0 1.0
   37    33    48    52  -0.18200 -1.0 2.0
   37    33    48    52   0.29450  1.0 3.0
   37    33    39    62  -0.95700  1.0 1.0
   37    33    39    62  -0.18200 -1.0 2.0
   37    33    39    62   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    42    43    46   1.00100  1.0 1.0
   37    42    43    46   0.85050 -1.0 2.0
   37    42    43    65   1.00100  1.0 1.0
   37    42    43    65   0.85050 -1.0 2.0
   37    42    44    45   2.22250 -1.0 2.0
   37    42   -44    48   2.45000 -1.0 2.0
   38    37    42    43   0.04000 -1.0 2.0
   38    37    42    44   2.22250 -1.0 2.0
   42    43    46    47   3.62500 -1.0 2.0
   42    43    46    50   3.62500 -1.0 2.0
   42    43    65    59   3.62500 -1.0 2.0
   42    43    65    66   3.62500 -1.0 2.0
   42    44   -48    33   1.39750  1.0 1.0
   42    44   -48    33  -0.07950 -1.0 2.0
   42    44   -48    33  -0.18750  1.0 3.0
   42    44    48    49   0.00000  1.0 1.0
   42    44    48    52   1.39750  1.0 1.0
   42    44    48    52  -0.07950 -1.0 2.0
   42    44    48    52  -0.18750  1.0 3.0
   43    42    44    45   0.04000 -1.0 2.0
   43    42    44    48   0.76000  1.0 1.0
   43    42    44    48   4.11600 -1.0 2.0
   43    46    50    51   3.62500 -1.0 2.0
   43    46    50    55   3.62500 -1.0 2.0
   46    43    65    59   3.62500 -1.0 2.0
   46    43    65    66   3.62500 -1.0 2.0
   46    50   -55    59   3.62500 -1.0 2.0
   46    50    55    61   3.62500 -1.0 2.0
   47    46    50    51   3.62500 -1.0 2.0
   47    46    50    55   3.62500 -1.0 2.0
   50    55    59    60   3.62500 -1.0 2.0
   50    55    59    65   3.62500 -1.0 2.0
   50    55    61    67   1.63200 -1.0 2.0
   51    50    55    59   3.62500 -1.0 2.0
   51    50    55    61   3.62500 -1.0 2.0
   55    59   -65    43   3.62500 -1.0 2.0
   55    59    65    66   3.62500 -1.0 2.0
   55    61    67    68   0.08050  1.0 3.0
   55    61    67    69   0.08050  1.0 3.0
   55    61    67    70  -0.50150  1.0 1.0
   55    61    67    70  -0.23050 -1.0 2.0
   55    61    67    70   0.70600  1.0 3.0
   59    55    61    67   1.63200 -1.0 2.0
   60    59    65    43   3.62500 -1.0 2.0
   60    59    65    66   3.62500 -1.0 2.0
   65    43    46    47   3.62500 -1.0 2.0
   65    43   -46    50   3.62500 -1.0 2.0
   61    55    59    60   3.62500 -1.0 2.0
   61    55    59    65   3.62500 -1.0 2.0
   61    67    70    71   0.64500  1.0 1.0
   61    67    70    71   0.14800 -1.0 2.0
   61    67    70    71   0.20650  1.0 3.0
   61    67    70    79   0.64500  1.0 1.0
   61    67    70    79   0.14800 -1.0 2.0
   61    67    70    79   0.20650  1.0 3.0
   67    70    71    72   3.62500 -1.0 2.0
   67    70    71    73   3.62500 -1.0 2.0
   67    70    79    77   3.62500 -1.0 2.0
   67    70    79    80   3.62500 -1.0 2.0
   68    67    70    71   0.00000  1.0 1.0
   68    67    70    79   0.00000  1.0 1.0
   69    67    70    71   0.00000  1.0 1.0
   69    67    70    79   0.00000  1.0 1.0
   70    71    73    74   3.62500 -1.0 2.0
   70    71    73    75   3.62500 -1.0 2.0
   71    70    79    77   3.62500 -1.0 2.0
   71    70    79    80   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73   -75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   73    75    77    79   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77   -79    70   3.62500 -1.0 2.0
   75    77    79    80   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   78    77    79    70   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   79    70    71    72   3.62500 -1.0 2.0
   79    70   -71    73   3.62500 -1.0 2.0
   44    42    43    46   1.00100  1.0 1.0
   44    42    43    46   0.85050 -1.0 2.0
   44    42    43    65   1.00100  1.0 1.0
   44    42    43    65   0.85050 -1.0 2.0
   44    48    52    53  -0.11250  1.0 3.0
   44    48    52    54  -0.11250  1.0 3.0
   44    48    52    56  -0.95700  1.0 1.0
   44    48    52    56  -0.18200 -1.0 2.0
   44    48    52    56   0.29450  1.0 3.0
   45    44    48    33   0.30150 -1.0 2.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    52   0.30150 -1.0 2.0
   48    33    37    38   0.30150 -1.0 2.0
   48    33   -37    42   1.39750  1.0 1.0
   48    33   -37    42  -0.07950 -1.0 2.0
   48    33   -37    42  -0.18750  1.0 3.0
   48    33    39    62   0.56750  1.0 1.0
   48    33    39    62  -0.07550 -1.0 2.0
   48    33    39    62   0.20000  1.0 3.0
   48    33    39    40   0.15000  1.0 3.0
   48    33    39    41   0.15000  1.0 3.0
   48    52    56    57   0.15000  1.0 3.0
   48    52    56    58   0.15000  1.0 3.0
   48    52   -56    62   0.56750  1.0 1.0
   48    52   -56    62  -0.07550 -1.0 2.0
   48    52   -56    62   0.20000  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    54   0.15000  1.0 3.0
   49    48    52    56   0.15000  1.0 3.0
   52    56    62    63   0.15000  1.0 3.0
   52    56    62    64   0.15000  1.0 3.0
   52    56    62    39   0.56750  1.0 1.0
   52    56    62    39  -0.07550 -1.0 2.0
   52    56    62    39   0.20000  1.0 3.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    58   0.15000  1.0 3.0
   53    52    56    62   0.15000  1.0 3.0
   54    52    56    57   0.15000  1.0 3.0
   54    52    56    58   0.15000  1.0 3.0
   54    52    56    62   0.15000  1.0 3.0
   56    62   -39    33   0.56750  1.0 1.0
   56    62   -39    33  -0.07550 -1.0 2.0
   56    62   -39    33   0.20000  1.0 3.0
   56    62    39    40   0.15000  1.0 3.0
   56    62    39    41   0.15000  1.0 3.0
   57    56    62    63   0.15000  1.0 3.0
   57    56    62    64   0.15000  1.0 3.0
   57    56    62    39   0.15000  1.0 3.0
   58    56    62    63   0.15000  1.0 3.0
   58    56    62    64   0.15000  1.0 3.0
   58    56    62    39   0.15000  1.0 3.0
   63    62    39    33   0.15000  1.0 3.0
   63    62    39    40   0.15000  1.0 3.0
   63    62    39    41   0.15000  1.0 3.0
   64    62    39    33   0.15000  1.0 3.0
   64    62    39    40   0.15000  1.0 3.0
   64    62    39    41   0.15000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    42   1.39750  1.0 1.0
   39    33    37    42  -0.07950 -1.0 2.0
   39    33    37    42  -0.18750  1.0 3.0
   39    33    48    44  -0.95700  1.0 1.0
   39    33    48    44  -0.18200 -1.0 2.0
   39    33    48    44   0.29450  1.0 3.0
   39    33    48    49   0.15000  1.0 3.0
   39    33   -48    52   0.56750  1.0 1.0
   39    33   -48    52  -0.07550 -1.0 2.0
   39    33   -48    52   0.20000  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
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    38  10.50000 -1.0 2.0
   44    37    42    43   1.00000 -1.0 2.0
   46    65    43    42   4.00000 -1.0 2.0
   50    47    46    43   1.10000 -1.0 2.0
   55    51    50    46   1.10000 -1.0 2.0
   59    61    55    50   4.00000 -1.0 2.0
   65    60    59    55   1.10000 -1.0 2.0
   59    66    65    43   1.10000 -1.0 2.0
   71    79    70    67   4.00000 -1.0 2.0
   73    72    71    70   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   77    76    75    73   4.00000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   77    80    79    70   1.10000 -1.0 2.0
   42    48    44    45  10.50000 -1.0 2.0
END
