* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    151    237     443
    1     0 S   NP   _N1_     1    28.70462    96.82259   -22.54079
    2     1 S   H    _HN1     2     1.02952    71.84517    19.66054
    3     1 S   H    _H1_     3     1.02829    41.86207   165.66449
    4     1 S   H    _H2_     4     1.02784    98.50597   -86.96390
    5     1 S   CT   _CA1     5     1.50111   145.63740   119.46083
    6     5 S   HC   _HA1     6     1.09574   105.20829    90.22694
    7     5 S   CO3  _C1_     7     1.53800   112.44609   -30.01122
    8     7 S   O2Z  _O11     8     1.26371   115.01030   -42.84638
    9     7 S   O2Z  _O12     9     1.26244   114.94667   136.31319
   10     5 S   CT   _CB1    10     1.53086   107.42057  -151.79924
   11    10 S   HC   HB11    11     1.09830   109.38988   -49.91288
   12    10 S   HC   HB12    12     1.09815   110.43526    66.69855
   13    10 S   CT   _CG1    13     1.52977   112.59233  -170.91537
   14    13 S   HC   HG11    14     1.09589   110.57070   -64.79547
   15    13 S   HC   HG12    15     1.09668   109.84299    54.42549
   16    13 S   C    _CD1    16     1.51798   112.30620   174.86546
   17    16 S   O    _OE1    17     1.22723   123.32072     4.03206
   18    16 S   N    _N2_    18     1.38652   111.60297  -176.02049
   19    18 S   H    _HN2    19     1.01581   118.92346     1.97655
   20    18 S   CT1  _CA2    20     1.46199   123.41823   178.23099
   21    20 S   HC   _HA2    21     1.09736   109.38944     0.39762
   22    20 S   C    _C2_    22     1.53513   108.54702  -115.09329
   23    22 S   O    _O2_    23     1.23052   122.29963  -147.78926
   24    20 S   CT   _CB2    32     1.53382   111.53050   122.42705
   25    24 S   HC   HB21    33     1.09573   109.96130    55.96370
   26    24 S   HC   HB22    34     1.09409   109.97342   175.01049
   27    22 S   N    _N3_    24     1.38335   113.65426    39.65377
   28    27 S   H    _HN3    25     1.01600   119.56849    -3.41002
   29    24 S   S    _SG2    35     1.82815   111.38375   -65.05703
   30    27 S   CT   _CA3    26     1.45289   123.18657   177.08288
   31    30 S   HC   HA31    27     1.09550   107.51285   -64.38785
   32    30 S   HC   HA32    28     1.09557   107.97598    52.04169
   33    29 S   CT   _C19    36     1.84639   100.15864   169.19967
   34    33 S   HC   _H4_    37     1.09707   104.46784   -45.38817
   35    30 S   CO3  _C3_    29     1.52952   114.09691   174.03215
   36    35 S   O2Z  _O31    30     1.26373   116.06423    -0.80697
   37    35 S   O2Z  _O32    31     1.26428   114.41300   179.25480
   38    33 S   CT   _C18    38     1.53023   111.70565    71.96239
   39    38 S   HC   _H22    39     1.09493   111.70582   -49.46420
   40    38 S   HC   _H23    40     1.09821   108.65543  -165.63799
   41    38 S   CT   _C17    41     1.52434   112.04449    74.17340
   42    41 S   HC   _H20    42     1.09725   109.26353  -179.60634
   43    41 S   HC   _H21    43     1.09552   110.05458   -63.50895
   44    41 S   CT   _C16    44     1.53134   109.90140    60.47371
   45    44 S   HC   _H3_    45     1.10083   106.16956    67.64453
   46    44 S   CT   _C12    46     1.54601   115.03897   -55.88034
   47    44 S   NT   _N4_    58     1.48216   111.45991  -171.70336
   48    46 S   CA   _C8_    47     1.55539   106.58769   169.28461
   49    47 S   CT   _C14    59     1.48037   105.21627    82.08338
   50    49 S   HC   _H16    60     1.09657   108.93844   -93.28809
   51    49 S   HC   _H17    61     1.09626   113.06582   148.94805
   52    33 S   CT   _C20    75     1.55509   113.35243  -161.04031
   53    52 S   HC   _H5_    76     1.09940   105.10475   157.15579
   54    48 S   CA   _C9_    48     1.40317   123.75619  -148.44646
   55    54 S   HA   _H10    49     1.08259   119.28034     1.35595
   56    46 S   CT   _C13    62     1.54210   102.24667   -79.77072
   57    56 S   HC   _H14    63     1.09655   112.73267  -146.83276
   58    56 S   HC   _H15    64     1.09124   112.66659    91.98530
   59    52 S   OH   _O35    77     1.43001   110.02576    43.25077
   60    59 S   HO   _H24    78     0.97233   107.86540    44.55835
   61    54 S   CA   _C10    50     1.40323   121.19427  -178.30130
   62    61 S   CA   _C5_    51     1.40600   119.89666     0.30261
   63    61 S   OS   _O34    70     1.37477   124.46378  -179.80617
   64    62 S   CA   _C6_    52     1.39674   119.45030     0.22381
   65    64 S   HA   _H9_    53     1.08613   121.37696  -179.94405
   66    62 S   OS   _O33    65     1.37341   115.93457  -179.83449
   67    63 S   CT   _C11    71     1.42210   117.53481    -0.49416
   68    67 S   HC   _H11    72     1.09430   107.72422  -179.81655
   69    67 S   HC   _H12    73     1.09494   111.14803    62.51204
   70    67 S   HC   _H13    74     1.09495   111.15700   -62.13842
   71    48 S   CA   _C7_    54     1.41290   117.85395    34.29073
   72    66 S   CT   _C4_    66     1.42215   117.37820  -179.86294
   73    72 S   HC   _H6_    67     1.09429   107.73646   179.93147
   74    72 S   HC   _H7_    68     1.09495   111.14788    62.22779
   75    72 S   HC   _H8_    69     1.09495   111.14289   -62.36179
   76    71 S   CT   _C15    55     1.51634   120.22007    -3.06337
   77    76 S   HC   _H18    56     1.09731   109.95608   131.44071
   78    76 S   HC   _H19    57     1.09790   107.91200  -112.88029
  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
  15   8   2   1   1  12   6   5  11   5   4  18   7  18  13  18
  10   5   4   8   3  10   4   5   1   1   1   1  11  11   6   7
   3   5   3   2   1   1   3   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    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    46    52    53    59  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    46    48    56    52    53    59    60  
   38    39    40    41    46    52    53    59  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    47    52    53    59  
   40    41    42    43    44    52  
   41    42    43    44    52  
   42    43    44    45    46    48    76    47    49    56    52  
   43    44    45    46    47  
   44    45    46    47  
   45    46    48    54    71    76    77    78    47    49    50    51    56    57    58    52    53    59  
   46    48    76    47    49    56    52  
   48    54    55    61    64    71    76    47    49    50    51    56    57    58    52    53    59    60  
   49    50    51    56    57    58    52    48    64    71    76    77    78  
   54    55    61    62    64    65    71    76    77    78    49    56    57    58    63    52    53    59  
   50    51    56    57    58    52    71    76    77    78  
   51    56    57    58    76  
   56    57    58    76  
   53    59    60    54    56    57    58    71  
   59    60    56  
   55    61    62    64    71    76    56    66    63    67  
   61    62    71    63  
   57    58    59    71    76  
   58  
    0  
   60  
    0  
   62    64    65    71    66    72    63    67    68    69    70  
   64    65    71    76    66    72    73    74    75    63    67  
   67    68    69    70    64    66  
   65    71    76    77    78    66    72  
   71    76    66  
   72    73    74    75    71  
   68    69    70  
   69    70  
   70  
    0  
   76    77    78  
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.1200   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.110000   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   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    52   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   268.000  1.529
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    47   382.000  1.448
   46    48   317.000  1.510
   46    56   268.000  1.529
   46    52   268.000  1.529
   48    54   469.000  1.400
   48    71   469.000  1.400
   54    55   367.000  1.080
   54    61   469.000  1.400
   61    62   469.000  1.400
   61    63   450.000  1.364
   62    64   469.000  1.400
   62    66   450.000  1.364
   64    65   367.000  1.080
   64    71   469.000  1.400
   71    76   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    47   382.000  1.448
   47    49   382.000  1.448
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   66    72   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   63    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   52    53   340.000  1.090
   52    59   320.000  1.410
   59    60   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    52    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    52    46    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    59    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    44    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    44    45    37.50000  110.70000
   41    44    46    58.35000  112.70000
   41    44    47    56.20000  109.47000
   43    41    42    33.00000  107.80000
   44    41    42    37.50000  110.70000
   44    41    43    37.50000  110.70000
   44    46    48    70.00000  112.17500
   44    46    56    58.35000  112.70000
   44    46    52    58.35000  112.70000
   44    47    76    51.80000  107.20000
   44    47    49    51.80000  107.20000
   46    44    45    37.50000  110.70000
   46    48    54    70.00000  120.00000
   46    48    71    70.00000  120.00000
   46    56    49    58.35000  112.70000
   46    56    57    37.50000  110.70000
   46    56    58    37.50000  110.70000
   46    52    53    37.50000  110.70000
   46    52    59    50.00000  109.50000
   48    54    55    35.00000  120.00000
   48    54    61    63.00000  120.00000
   48    71    64    63.00000  120.00000
   48    71    76    70.00000  120.00000
   54    61    62    63.00000  120.00000
   54    61    63    70.00000  120.00000
   61    54    55    35.00000  120.00000
   61    62    64    63.00000  120.00000
   61    62    66    70.00000  120.00000
   61    63    67    75.00000  111.00000
   62    64    65    35.00000  120.00000
   62    64    71    63.00000  120.00000
   62    66    72    75.00000  111.00000
   64    71    76    70.00000  120.00000
   71    48    54    63.00000  120.00000
   71    64    65    35.00000  120.00000
   71    76    77    35.00000  109.50000
   71    76    78    35.00000  109.50000
   71    76    47    75.00000  112.33000
   76    47    49    51.80000  107.20000
   78    76    77    33.00000  107.80000
   47    44    45    35.00000  109.50000
   47    44    46    56.20000  109.47000
   47    76    77    35.00000  109.50000
   47    76    78    35.00000  109.50000
   47    49    50    35.00000  109.50000
   47    49    51    35.00000  109.50000
   47    49    56    56.20000  109.47000
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   51    49    50    33.00000  107.80000
   56    46    48    70.00000  112.17500
   56    49    50    37.50000  110.70000
   56    49    51    37.50000  110.70000
   58    56    57    33.00000  107.80000
   66    62    64    70.00000  120.00000
   66    72    73    35.00000  109.50000
   66    72    74    35.00000  109.50000
   66    72    75    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   63    61    62    70.00000  120.00000
   63    67    68    35.00000  109.50000
   63    67    69    35.00000  109.50000
   63    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   52    33    34    37.50000  110.70000
   52    33    38    58.35000  112.70000
   52    46    48    70.00000  112.17500
   52    46    56    58.35000  112.70000
   52    59    60    55.00000  108.50000
   59    52    53    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   0.01700  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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    52    46   0.44750  1.0 1.0
   29    33    52    46  -0.17800 -1.0 2.0
   29    33    52    46   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    59   0.56750  1.0 1.0
   29    33    52    59  -0.07550 -1.0 2.0
   29    33    52    59   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    44   0.56750  1.0 1.0
   33    38    41    44  -0.07550 -1.0 2.0
   33    38    41    44   0.20000  1.0 3.0
   33    52    59    60  -0.11600  1.0 1.0
   33    52    59    60  -0.09450 -1.0 2.0
   33    52    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    52    46   0.15000  1.0 3.0
   34    33    52    53   0.15000  1.0 3.0
   34    33    52    59   0.23400  1.0 3.0
   38    33    52    46   0.56750  1.0 1.0
   38    33    52    46  -0.07550 -1.0 2.0
   38    33    52    46   0.20000  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    59   0.86500  1.0 1.0
   38    33    52    59  -0.17500 -1.0 2.0
   38    33    52    59   0.20800  1.0 3.0
   38    41    44    45   0.15000  1.0 3.0
   38    41   -44    46   0.56750  1.0 1.0
   38    41   -44    46  -0.07550 -1.0 2.0
   38    41   -44    46   0.20000  1.0 3.0
   38    41    44    47   1.53400  1.0 1.0
   38    41    44    47  -0.09950 -1.0 2.0
   38    41    44    47   0.05700  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    44   0.15000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    44   0.15000  1.0 3.0
   41    44    46    48  -0.03700  1.0 1.0
   41    44    46    48   0.37200 -1.0 2.0
   41    44    46    48  -0.47300  1.0 3.0
   41    44    46    56   0.56750  1.0 1.0
   41    44    46    56  -0.07550 -1.0 2.0
   41    44    46    56   0.20000  1.0 3.0
   41    44    46    52   0.56750  1.0 1.0
   41    44    46    52  -0.07550 -1.0 2.0
   41    44    46    52   0.20000  1.0 3.0
   41    44    47    76   0.23450  1.0 1.0
   41    44    47    76   0.02050 -1.0 2.0
   41    44    47    76   0.25250  1.0 3.0
   41    44    47    49   0.23450  1.0 1.0
   41    44    47    49   0.02050 -1.0 2.0
   41    44    47    49   0.25250  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    46   0.15000  1.0 3.0
   42    41    44    47   0.15000  1.0 3.0
   43    41    44    45   0.15000  1.0 3.0
   43    41    44    46   0.15000  1.0 3.0
   43    41    44    47   0.15000  1.0 3.0
   44    46    48    54   0.04150 -1.0 2.0
   44    46    48    71   0.04150 -1.0 2.0
   44    46   -56    49   0.56750  1.0 1.0
   44    46   -56    49  -0.07550 -1.0 2.0
   44    46   -56    49   0.20000  1.0 3.0
   44    46    56    57   0.15000  1.0 3.0
   44    46    56    58   0.15000  1.0 3.0
   44    46   -52    33   0.56750  1.0 1.0
   44    46   -52    33  -0.07550 -1.0 2.0
   44    46   -52    33   0.20000  1.0 3.0
   44    46    52    53   0.15000  1.0 3.0
   44    46    52    59   0.86500  1.0 1.0
   44    46    52    59  -0.17500 -1.0 2.0
   44    46    52    59   0.20800  1.0 3.0
   44    47    49    50   0.28000  1.0 3.0
   44    47    49    51   0.28000  1.0 3.0
   44    47   -49    56   0.23450  1.0 1.0
   44    47   -49    56   0.02050 -1.0 2.0
   44    47   -49    56   0.25250  1.0 3.0
   45    44    46    48   0.43200  1.0 3.0
   45    44    46    56   0.15000  1.0 3.0
   45    44    46    52   0.15000  1.0 3.0
   45    44    47    76   0.28000  1.0 3.0
   45    44    47    49   0.28000  1.0 3.0
   46    44    47    76   0.23450  1.0 1.0
   46    44    47    76   0.02050 -1.0 2.0
   46    44    47    76   0.25250  1.0 3.0
   46    44   -47    49   0.23450  1.0 1.0
   46    44   -47    49   0.02050 -1.0 2.0
   46    44   -47    49   0.25250  1.0 3.0
   46    48    54    55   3.62500 -1.0 2.0
   46    48    54    61   3.62500 -1.0 2.0
   46    48    71    64   3.62500 -1.0 2.0
   46    48   -71    76   3.62500 -1.0 2.0
   46    52    59    60  -0.11600  1.0 1.0
   46    52    59    60  -0.09450 -1.0 2.0
   46    52    59    60   0.21250  1.0 3.0
   48    46    56    49  -0.03700  1.0 1.0
   48    46    56    49   0.37200 -1.0 2.0
   48    46    56    49  -0.47300  1.0 3.0
   48    46    56    57   0.43200  1.0 3.0
   48    46    56    58   0.43200  1.0 3.0
   48    46    52    33  -0.03700  1.0 1.0
   48    46    52    33   0.37200 -1.0 2.0
   48    46    52    33  -0.47300  1.0 3.0
   48    46    52    53   0.43200  1.0 3.0
   48    46    52    59   1.13150  1.0 1.0
   48    46    52    59  -1.01400 -1.0 2.0
   48    54    61    62   3.62500 -1.0 2.0
   48    54    61    63   3.62500 -1.0 2.0
   48    71    76    77   0.00000  1.0 1.0
   48    71    76    78   0.00000  1.0 1.0
   48    71    76    47   0.18550 -1.0 2.0
   48    71    76    47   0.14000  1.0 3.0
   54    48    71    64   3.62500 -1.0 2.0
   54    48    71    76   3.62500 -1.0 2.0
   54    61   -62    64   3.62500 -1.0 2.0
   54    61    62    66   3.62500 -1.0 2.0
   54    61    63    67   1.63200 -1.0 2.0
   55    54    61    62   3.62500 -1.0 2.0
   55    54    61    63   3.62500 -1.0 2.0
   61    62    64    65   3.62500 -1.0 2.0
   61    62    64    71   3.62500 -1.0 2.0
   61    62    66    72   1.63200 -1.0 2.0
   61    63    67    68   0.08050  1.0 3.0
   61    63    67    69   0.08050  1.0 3.0
   61    63    67    70   0.08050  1.0 3.0
   62    61    63    67   1.63200 -1.0 2.0
   62    64   -71    48   3.62500 -1.0 2.0
   62    64    71    76   3.62500 -1.0 2.0
   62    66    72    73   0.08050  1.0 3.0
   62    66    72    74   0.08050  1.0 3.0
   62    66    72    75   0.08050  1.0 3.0
   64    62    66    72   1.63200 -1.0 2.0
   64    71    76    77   0.00000  1.0 1.0
   64    71    76    78   0.00000  1.0 1.0
   64    71    76    47   0.18550 -1.0 2.0
   64    71    76    47   0.14000  1.0 3.0
   65    64    71    48   3.62500 -1.0 2.0
   65    64    71    76   3.62500 -1.0 2.0
   71    48    54    55   3.62500 -1.0 2.0
   71    48   -54    61   3.62500 -1.0 2.0
   71    76   -47    44   0.82600  1.0 1.0
   71    76   -47    44  -0.32100 -1.0 2.0
   71    76   -47    44   1.02000  1.0 3.0
   71    76    47    49   0.82600  1.0 1.0
   71    76    47    49  -0.32100 -1.0 2.0
   71    76    47    49   1.02000  1.0 3.0
   76    47    49    50   0.28000  1.0 3.0
   76    47    49    51   0.28000  1.0 3.0
   76    47    49    56   0.23450  1.0 1.0
   76    47    49    56   0.02050 -1.0 2.0
   76    47    49    56   0.25250  1.0 3.0
   77    76    47    44   0.28000  1.0 3.0
   77    76    47    49   0.28000  1.0 3.0
   78    76    47    44   0.28000  1.0 3.0
   78    76    47    49   0.28000  1.0 3.0
   47    44   -46    48   0.83750  1.0 1.0
   47    44   -46    48   0.32200 -1.0 2.0
   47    44   -46    48   0.70600  1.0 3.0
   47    44   -46    56   1.53400  1.0 1.0
   47    44   -46    56  -0.09950 -1.0 2.0
   47    44   -46    56   0.05700  1.0 3.0
   47    44    46    52   1.53400  1.0 1.0
   47    44    46    52  -0.09950 -1.0 2.0
   47    44    46    52   0.05700  1.0 3.0
   47    49   -56    46   1.53400  1.0 1.0
   47    49   -56    46  -0.09950 -1.0 2.0
   47    49   -56    46   0.05700  1.0 3.0
   47    49    56    57   0.15000  1.0 3.0
   47    49    56    58   0.15000  1.0 3.0
   50    49    56    46   0.15000  1.0 3.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    58   0.15000  1.0 3.0
   51    49    56    46   0.15000  1.0 3.0
   51    49    56    57   0.15000  1.0 3.0
   51    49    56    58   0.15000  1.0 3.0
   56    46    48    54   0.04150 -1.0 2.0
   56    46    48    71   0.04150 -1.0 2.0
   56    46    52    33   0.56750  1.0 1.0
   56    46    52    33  -0.07550 -1.0 2.0
   56    46    52    33   0.20000  1.0 3.0
   56    46    52    53   0.15000  1.0 3.0
   56    46    52    59   0.86500  1.0 1.0
   56    46    52    59  -0.17500 -1.0 2.0
   56    46    52    59   0.20800  1.0 3.0
   66    62    64    65   3.62500 -1.0 2.0
   66    62    64    71   3.62500 -1.0 2.0
   63    61    62    64   3.62500 -1.0 2.0
   63    61    62    66   3.62500 -1.0 2.0
   52    33    38    39   0.15000  1.0 3.0
   52    33    38    40   0.15000  1.0 3.0
   52    33   -38    41   0.56750  1.0 1.0
   52    33   -38    41  -0.07550 -1.0 2.0
   52    33   -38    41   0.20000  1.0 3.0
   52    46    48    54   0.04150 -1.0 2.0
   52    46    48    71   0.04150 -1.0 2.0
   52    46    56    49   0.56750  1.0 1.0
   52    46    56    49  -0.07550 -1.0 2.0
   52    46    56    49   0.20000  1.0 3.0
   52    46    56    57   0.15000  1.0 3.0
   52    46    56    58   0.15000  1.0 3.0
   53    52    59    60   0.19450  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
   54    71    48    46   4.00000 -1.0 2.0
   61    55    54    48   1.10000 -1.0 2.0
   62    63    61    54   4.00000 -1.0 2.0
   64    66    62    61   4.00000 -1.0 2.0
   71    65    64    62   1.10000 -1.0 2.0
   64    76    71    48   4.00000 -1.0 2.0
END
