* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    163    260     487
    1     0 S   NP   _N1_     1    30.89436    93.65688   -14.82406
    2     1 S   H    _HN1     2     1.02811    39.50629   -31.29214
    3     1 S   H    _H1_     3     1.02849   140.03454    15.59490
    4     1 S   H    _H2_     4     1.02984    74.76787   114.39877
    5     1 S   CT   _CA1     5     1.50509   104.57953  -138.46237
    6     5 S   HC   _HA1     6     1.09672   104.67836   -14.74244
    7     5 S   CO3  _C1_     7     1.54578   111.20559  -130.69055
    8     7 S   O2Z  _O11     8     1.26127   116.85800  -127.39290
    9     7 S   O2Z  _O12     9     1.26514   114.12548    52.05076
   10     5 S   CT   _CB1    10     1.53273   107.04638   101.51737
   11    10 S   HC   HB11    11     1.09832   109.81398   -43.26215
   12    10 S   HC   HB12    12     1.09682   109.48542    72.26468
   13    10 S   CT   _CG1    13     1.53440   112.65991  -163.03517
   14    13 S   HC   HG11    14     1.09640   112.06166   -16.37453
   15    13 S   HC   HG12    15     1.09636   109.80216   101.70666
   16    13 S   C    _CD1    16     1.51625   112.07755  -137.77330
   17    16 S   O    _OE1    17     1.22747   122.09306  -110.79808
   18    16 S   N    _N2_    18     1.38191   112.30282    69.58452
   19    18 S   H    _HN2    19     1.01880   118.32302     1.74496
   20    18 S   CT1  _CA2    20     1.46069   124.23198   176.68058
   21    20 S   HC   _HA2    21     1.09567   109.92767     7.28979
   22    20 S   C    _C2_    22     1.53808   104.47902  -108.69488
   23    22 S   O    _O2_    23     1.23209   122.69661    15.16195
   24    20 S   CT   _CB2    32     1.53875   111.12438   130.42078
   25    24 S   HC   HB21    33     1.09213   109.21739    74.89790
   26    24 S   HC   HB22    34     1.09491   110.25197  -168.19303
   27    22 S   N    _N3_    24     1.38555   114.18169  -165.91406
   28    27 S   H    _HN3    25     1.01350   120.68015    -4.65884
   29    24 S   S    _SG2    35     1.83104   113.09965   -48.66547
   30    27 S   CT   _CA3    26     1.45451   121.66061   170.34928
   31    30 S   HC   HA31    27     1.09550   108.62709    45.12260
   32    30 S   HC   HA32    28     1.09482   107.07328   162.28429
   33    29 S   CT   _C10    36     1.85270   100.56379   152.56103
   34    33 S   HC   _H3_    37     1.09734   106.38549    47.76759
   35    30 S   CO3  _C3_    29     1.53483   114.39166   -76.57924
   36    35 S   O2Z  _O31    30     1.26436   116.67934     4.45628
   37    35 S   O2Z  _O32    31     1.26468   114.22833  -175.84697
   38    33 S   CA   _C7_    38     1.52152   108.56324   164.39167
   39    33 S   CT   _C11    49     1.54260   110.71797   -69.86534
   40    39 S   HC   _H11    50     1.09161   108.66174    50.30938
   41    39 S   HC   _H12    51     1.09592   111.87970   -68.45286
   42    38 S   CA   _C6_    39     1.40474   119.47722  -105.55590
   43    42 S   HA   _H8_    40     1.08748   120.38633    -0.57232
   44    39 S   C    _C12    52     1.52805   114.02230   168.71116
   45    44 S   O    _O33    53     1.23235   121.07399    12.70722
   46    42 S   CA   _C5_    41     1.39625   120.80667   179.68973
   47    46 S   HA   _H7_    42     1.08625   119.91831   179.73756
   48    44 S   N    _N4_    54     1.39905   115.95424  -167.55457
   49    46 S   CA   _C4_    43     1.39250   120.08021    -0.27340
   50    49 S   HA   _H6_    44     1.08605   120.05875  -179.98022
   51    48 S   CT   _C13    55     1.46053   119.99142   175.55208
   52    51 S   HC   _H13    56     1.09616   107.85275   129.49339
   53    51 S   HC   _H14    57     1.09435   111.15106    11.74355
   54    49 S   CA   _C9_    45     1.39269   119.87067    -0.14804
   55    54 S   HA   _H10    46     1.08628   119.93827  -179.65622
   56    51 S   CT   _C14    58     1.52673   109.58518  -110.03227
   57    56 S   HC   _H15    59     1.09552   109.94099  -174.44522
   58    56 S   HC   _H16    60     1.09745   109.17167    68.31924
   59    38 S   CA   _C8_    47     1.40453   122.14654    73.44050
   60    59 S   HA   _H9_    48     1.08658   120.74024    -0.18663
   61    56 S   CT   _C15    61     1.53567   111.97021   -52.05978
   62    61 S   HC   _H17    62     1.09536   107.88914   173.59415
   63    61 S   HC   _H18    63     1.09723   109.34923   -70.01672
   64    61 S   CT   _C16    64     1.54727   111.87463    51.73151
   65    64 S   HC   _H4_    65     1.09971   106.87912    62.23524
   66    48 S   CT   _C17    66     1.46648   125.47459     7.27799
   67    66 S   HC   _H19    67     1.08679   111.06115   -19.11423
   68    66 S   HC   _H20    68     1.09745   107.64883  -135.03646
   69    64 S   CT   _C18    69     1.54875   113.60721  -178.25763
   70    69 S   HC   _H5_    70     1.09714   110.11211    79.73281
   71    69 S   CT   _C19    71     1.53519   114.39001   -44.69892
   72    71 S   HC   _H21    72     1.09571   110.16443    65.27965
   73    71 S   HC   _H22    73     1.09725   110.04264   -52.51543
   74    71 S   CT   _C20    74     1.52853   112.29534  -174.43176
   75    74 S   HC   _H23    75     1.09710   109.27530   -67.06738
   76    74 S   HC   _H24    76     1.09584   109.67793   176.04552
   77    74 S   CT   _C21    77     1.52378   111.75693    54.13337
   78    77 S   HC   _H25    78     1.09650   109.44326    67.89682
   79    77 S   HC   _H26    79     1.09564   109.71150  -175.21148
   80    77 S   CT   _C22    80     1.51728   111.30396   -53.62675
   81    80 S   HC   _H27    81     1.09359   111.52800   173.04455
   82    80 S   HC   _H28    82     1.09493   112.21856   -64.09807
   83    69 S   NP   _N5_    83     1.51222   108.39613  -164.39009
   84    83 S   H    _H29    84     1.03584   109.31280    59.77793
   85    83 S   H    _H30    85     1.03190   110.80835   -56.18732
  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   9   5   4   3
  14   7   2   1   1  13   9   4   3   8   4  10   3   6   3  13
   5   3  12   6   5   3   2   9   5   4   1   1  11   5   4  14
   7   6   2   1  14   8  12   6   5   9   5   4   8   5   4   5
   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    59    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    54    59    60    39    40    41    44    45    48  
   38    42    59    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    54    55    59    60    39    40    41    44  
   40    41    44    45    48    51    66    42    59  
   41    44    45    48  
   44    45    48  
   43    46    47    49    50    54    59    60  
   46    47    49    59  
   45    48    51    52    53    56    64    66    67    68  
   48    51    66  
   47    49    50    54    55    59  
   49    50    54  
   51    52    53    56    57    58    61    64    65    66    67    68    69  
   50    54    55    59    60  
   54    55    59  
   52    53    56    57    58    61    62    63    64    66    67    68  
   53    56    57    58    61    66  
   56    57    58    61    66  
   55    59    60  
   59    60  
   57    58    61    62    63    64    65    66    69  
   58    61    62    63    64  
   61    62    63    64  
   60  
    0  
   62    63    64    65    66    67    68    69    70    71    83  
   63    64    65    66    69  
   64    65    66    69  
   65    66    67    68    69    70    71    72    73    74    80    83    84    85  
   66    67    68    69    70    71    83  
   67    68    69    70    71    83  
   68    69  
   69  
   70    71    72    73    74    75    76    77    80    81    82    83    84    85  
   71    72    73    74    80    83    84    85  
   72    73    74    75    76    77    78    79    80    83    84    85  
   73    74    75    76    77    83  
   74    75    76    77    83  
   75    76    77    78    79    80    81    82    83  
   76    77    78    79    80  
   77    78    79    80  
   78    79    80    81    82    83    84    85  
   79    80    81    82    83  
   80    81    82    83  
   81    82    83    84    85  
   82    83    84    85  
   83    84    85  
   84    85  
   85  
    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   0.222500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   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   3.2500   0.1700  -0.140000   1.8100   1.6000   0.054801302  -1.445846770
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.5000   0.0660   0.230000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   83   3.2500   0.1700  -0.200000   2.1950   1.9500   0.003973653   1.685851020
   84   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   85   0.5000   0.0300   0.310000   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    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   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    59   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    50   367.000  1.080
   49    54   469.000  1.400
   54    55   367.000  1.080
   54    59   469.000  1.400
   59    60   367.000  1.080
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   490.000  1.335
   48    51   337.000  1.449
   48    66   337.000  1.449
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    69   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    83   367.000  1.471
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   367.000  1.471
   83    84   434.000  1.010
   83    85   434.000  1.010
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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    59    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    59    54    63.00000  120.00000
   38    59    60    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    50    35.00000  120.00000
   46    49    54    63.00000  120.00000
   49    46    47    35.00000  120.00000
   49    54    55    35.00000  120.00000
   49    54    59    63.00000  120.00000
   54    49    50    35.00000  120.00000
   54    59    60    35.00000  120.00000
   59    38    42    63.00000  120.00000
   59    54    55    35.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    70.00000  116.60000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    51    50.00000  121.90000
   44    48    66    50.00000  121.90000
   48    44    45    80.00000  122.90000
   48    51    52    35.00000  109.50000
   48    51    53    35.00000  109.50000
   48    51    56    70.00000  110.72300
   48    66    64    70.00000  110.72300
   48    66    67    35.00000  109.50000
   48    66    68    35.00000  109.50000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    61    58.35000  112.70000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    64    58.35000  112.70000
   58    56    57    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    58.35000  112.70000
   61    64    69    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    66    67    37.50000  110.70000
   64    66    68    37.50000  110.70000
   64    69    70    37.50000  110.70000
   64    69    71    58.35000  112.70000
   64    69    83    80.00000  111.20000
   66    48    51    50.00000  118.00000
   66    64    65    37.50000  110.70000
   68    66    67    33.00000  107.80000
   69    64    65    37.50000  110.70000
   69    64    66    58.35000  112.70000
   69    71    72    37.50000  110.70000
   69    71    73    37.50000  110.70000
   69    71    74    58.35000  112.70000
   69    83    80    75.00000  113.01200
   69    83    84    35.00000  109.50000
   69    83    85    35.00000  109.50000
   71    69    70    37.50000  110.70000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    80    81    37.50000  110.70000
   77    80    82    37.50000  110.70000
   77    80    83    80.00000  111.20000
   79    77    78    33.00000  107.80000
   80    77    78    37.50000  110.70000
   80    77    79    37.50000  110.70000
   80    83    84    35.00000  109.50000
   80    83    85    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    69    70    35.00000  109.50000
   83    69    71    80.00000  111.20000
   83    80    81    35.00000  109.50000
   83    80    82    35.00000  109.50000
   85    83    84    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    59  -0.16000  1.0 1.0
   29    33    38    59  -0.03200 -1.0 2.0
   29    33    38    59   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    59    54   3.62500 -1.0 2.0
   33    38    59    60   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   1.39750  1.0 1.0
   33    39    44    48  -0.07950 -1.0 2.0
   33    39    44    48  -0.18750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    59   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    59    54   3.62500 -1.0 2.0
   42    38    59    60   3.62500 -1.0 2.0
   42    46    49    50   3.62500 -1.0 2.0
   42    46   -49    54   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    54    55   3.62500 -1.0 2.0
   46    49    54    59   3.62500 -1.0 2.0
   47    46    49    50   3.62500 -1.0 2.0
   47    46    49    54   3.62500 -1.0 2.0
   49    54   -59    38   3.62500 -1.0 2.0
   49    54    59    60   3.62500 -1.0 2.0
   50    49    54    55   3.62500 -1.0 2.0
   50    49    54    59   3.62500 -1.0 2.0
   55    54    59    38   3.62500 -1.0 2.0
   55    54    59    60   3.62500 -1.0 2.0
   59    38    42    43   3.62500 -1.0 2.0
   59    38   -42    46   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    59   0.04150 -1.0 2.0
   39    44    48    51   1.49850  1.0 1.0
   39    44    48    51   1.53950 -1.0 2.0
   39    44    48    66   1.49850  1.0 1.0
   39    44    48    66   1.53950 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    51    52   0.00000  1.0 1.0
   44    48    51    53   0.00000  1.0 1.0
   44    48    51    56  -0.43950  1.0 1.0
   44    48    51    56  -0.08100 -1.0 2.0
   44    48    51    56   0.03350  1.0 3.0
   44    48    66    64  -0.43950  1.0 1.0
   44    48    66    64  -0.08100 -1.0 2.0
   44    48    66    64   0.03350  1.0 3.0
   44    48    66    67   0.00000  1.0 1.0
   44    48    66    68   0.00000  1.0 1.0
   45    44    48    51   3.04450 -1.0 2.0
   45    44    48    66   3.04450 -1.0 2.0
   48    51    56    57   0.15000  1.0 3.0
   48    51    56    58   0.15000  1.0 3.0
   48    51    56    61   0.43900  1.0 1.0
   48    51    56    61   0.49100 -1.0 2.0
   48    51    56    61   0.28400  1.0 3.0
   51    48    66    64  -0.05900 -1.0 2.0
   51    48    66    67   0.00000  1.0 1.0
   51    48    66    68   0.00000  1.0 1.0
   51    56    61    62   0.15000  1.0 3.0
   51    56    61    63   0.15000  1.0 3.0
   51    56   -61    64   0.56750  1.0 1.0
   51    56   -61    64  -0.07550 -1.0 2.0
   51    56   -61    64   0.20000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    61   0.15000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    61   0.15000  1.0 3.0
   56    61    64    65   0.15000  1.0 3.0
   56    61    64    66   0.56750  1.0 1.0
   56    61    64    66  -0.07550 -1.0 2.0
   56    61    64    66   0.20000  1.0 3.0
   56    61    64    69   0.56750  1.0 1.0
   56    61    64    69  -0.07550 -1.0 2.0
   56    61    64    69   0.20000  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    64   0.15000  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    63   0.15000  1.0 3.0
   58    56    61    64   0.15000  1.0 3.0
   61    64   -66    48   0.43900  1.0 1.0
   61    64   -66    48   0.49100 -1.0 2.0
   61    64   -66    48   0.28400  1.0 3.0
   61    64    66    67   0.15000  1.0 3.0
   61    64    66    68   0.15000  1.0 3.0
   61    64    69    70   0.15000  1.0 3.0
   61    64    69    71   0.56750  1.0 1.0
   61    64    69    71  -0.07550 -1.0 2.0
   61    64    69    71   0.20000  1.0 3.0
   61    64    69    83   1.36600  1.0 1.0
   61    64    69    83  -0.11450 -1.0 2.0
   61    64    69    83   0.24250  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    69   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    69   0.15000  1.0 3.0
   64    69    71    72   0.15000  1.0 3.0
   64    69    71    73   0.15000  1.0 3.0
   64    69    71    74   0.56750  1.0 1.0
   64    69    71    74  -0.07550 -1.0 2.0
   64    69    71    74   0.20000  1.0 3.0
   64    69    83    80   0.47100  1.0 1.0
   64    69    83    84   0.17350  1.0 3.0
   64    69    83    85   0.17350  1.0 3.0
   65    64    66    48   0.15000  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68   0.15000  1.0 3.0
   65    64    69    70   0.15000  1.0 3.0
   65    64    69    71   0.15000  1.0 3.0
   65    64    69    83   0.19200  1.0 3.0
   66    48    51    52   0.00000  1.0 1.0
   66    48    51    53   0.00000  1.0 1.0
   66    48   -51    56  -0.05900 -1.0 2.0
   66    64    69    70   0.15000  1.0 3.0
   66    64    69    71   0.56750  1.0 1.0
   66    64    69    71  -0.07550 -1.0 2.0
   66    64    69    71   0.20000  1.0 3.0
   66    64    69    83   1.36600  1.0 1.0
   66    64    69    83  -0.11450 -1.0 2.0
   66    64    69    83   0.24250  1.0 3.0
   69    64    66    48   0.43900  1.0 1.0
   69    64    66    48   0.49100 -1.0 2.0
   69    64    66    48   0.28400  1.0 3.0
   69    64    66    67   0.15000  1.0 3.0
   69    64    66    68   0.15000  1.0 3.0
   69    71    74    75   0.15000  1.0 3.0
   69    71    74    76   0.15000  1.0 3.0
   69    71    74    77   0.56750  1.0 1.0
   69    71    74    77  -0.07550 -1.0 2.0
   69    71    74    77   0.20000  1.0 3.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    71    73   0.15000  1.0 3.0
   70    69    71    74   0.15000  1.0 3.0
   70    69    83    80   0.15000  1.0 3.0
   70    69    83    84   0.13050  1.0 3.0
   70    69    83    85   0.13050  1.0 3.0
   71    69    83    80   0.47100  1.0 1.0
   71    69    83    84   0.17350  1.0 3.0
   71    69    83    85   0.17350  1.0 3.0
   71    74    77    78   0.15000  1.0 3.0
   71    74    77    79   0.15000  1.0 3.0
   71    74   -77    80   0.56750  1.0 1.0
   71    74   -77    80  -0.07550 -1.0 2.0
   71    74   -77    80   0.20000  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76   0.15000  1.0 3.0
   72    71    74    77   0.15000  1.0 3.0
   73    71    74    75   0.15000  1.0 3.0
   73    71    74    76   0.15000  1.0 3.0
   73    71    74    77   0.15000  1.0 3.0
   74    77    80    81   0.15000  1.0 3.0
   74    77    80    82   0.15000  1.0 3.0
   74    77    80    83   1.36600  1.0 1.0
   74    77    80    83  -0.11450 -1.0 2.0
   74    77    80    83   0.24250  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    80   0.15000  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   76    74    77    79   0.15000  1.0 3.0
   76    74    77    80   0.15000  1.0 3.0
   77    80   -83    69   0.47100  1.0 1.0
   77    80    83    84   0.17350  1.0 3.0
   77    80    83    85   0.17350  1.0 3.0
   78    77    80    81   0.15000  1.0 3.0
   78    77    80    82   0.15000  1.0 3.0
   78    77    80    83   0.19200  1.0 3.0
   79    77    80    81   0.15000  1.0 3.0
   79    77    80    82   0.15000  1.0 3.0
   79    77    80    83   0.19200  1.0 3.0
   81    80    83    69   0.15000  1.0 3.0
   81    80    83    84   0.13050  1.0 3.0
   81    80    83    85   0.13050  1.0 3.0
   82    80    83    69   0.15000  1.0 3.0
   82    80    83    84   0.13050  1.0 3.0
   82    80    83    85   0.13050  1.0 3.0
   83    69    71    72   0.19200  1.0 3.0
   83    69    71    73   0.19200  1.0 3.0
   83    69   -71    74   1.36600  1.0 1.0
   83    69   -71    74  -0.11450 -1.0 2.0
   83    69   -71    74   0.24250  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
   42    59    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   54    50    49    46   1.10000 -1.0 2.0
   59    55    54    49   1.10000 -1.0 2.0
   54    60    59    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   66    44    48    51   1.00000 -1.0 2.0
END
