* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    158    254     479
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02034   106.62554   -15.22373
    3     1 S   H    _H1_     3     1.02048    56.59585    86.53814
    4     1 S   H    _H2_     4     1.02131    55.51496  -116.80331
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08641   109.88695   179.08657
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C16    36     1.82565    98.05676  -178.13355
   34    33 S   HC   _H3_    37     1.09695   105.28744   -60.42949
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C8_    38     1.53012   112.36148   179.98022
   39    38 S   HC   _H32    39     1.09807   109.95888    60.18073
   40    33 S   OS   _O19    51     1.42681   110.86943    57.06054
   41    38 S   CT   _C7_    40     1.53439   112.29834  -177.51627
   42    41 S   HC   _H31    41     1.10022   109.13319   161.53211
   43    38 S   C    _C6_    82     1.50674   111.39589   -57.43961
   44    43 S   O    _O17    83     1.22188   125.04717   -60.21856
   45    41 S   CM   _C4_    42     1.50322   114.95940   -78.52682
   46    45 S   HC   _H29    43     1.08096   124.35715   -38.90989
   47    43 S   OH   _O20    84     1.35566   110.71762   119.97187
   48    47 S   HO   _H45    85     0.98021   111.97509   179.84549
   49    45 S   CM   _C5_    44     1.33883   111.36665   145.63609
   50    49 S   HC   _H30    45     1.08070   124.19604   176.33569
   51    49 S   CT   _C17    46     1.50389   111.59233    -1.54611
   52    41 S   CT   _C9_    47     1.54978   114.63012    38.17911
   53    52 S   HC   _H33    48     1.09803   109.27100    86.24206
   54    51 S   CT   _C19    75     1.52796   111.28345   101.26464
   55    54 S   HC   _H43    76     1.08894   109.84384   -59.97376
   56    54 S   HC   _H44    77     1.08941   109.84476   179.07212
   57    51 S   OH   _O24    80     1.41870   109.56430  -138.54023
   58    57 S   HO   _H49    81     0.97189   106.87896   -59.98926
   59    52 S   CO   _C14    49     1.54798   113.06084   -33.92794
   60    59 S   HC   _H38    50     1.09767   111.53716   -76.46011
   61    54 S   OH   _O26    78     1.41552   108.43218    59.56360
   62    61 S   HO   _H51    79     0.97337   107.10053  -180.00000
   63    59 S   OS1  _O27    52     1.42810   108.00506   165.57151
   64    63 S   CO1  _C15    53     1.41971   111.24923  -179.50425
   65    64 S   HC   _H39    54     1.09746   107.42175    60.01608
   66    64 S   CT   _C12    55     1.52865   107.78848   179.61184
   67    66 S   HC   _H36    56     1.09650   110.66326    51.39541
   68    66 S   CT   _C10    57     1.52899   111.30353   173.98888
   69    68 S   HC   _H34    58     1.09611   110.95837    74.80074
   70    66 S   OH5  _O23    73     1.42679   109.52588   -66.30435
   71    70 S   HO   _H48    74     0.96934   106.48600   -61.51457
   72    68 S   CT   _C11    59     1.52912   111.18335   -48.63177
   73    72 S   HC   _H35    60     1.09765   108.93144   -72.55571
   74    68 S   OH5  _O21    71     1.42901   109.15632  -168.22386
   75    74 S   HO   _H46    72     0.96813   106.41182    61.25985
   76    72 S   CT   _C13    61     1.53041   110.78879    49.61972
   77    76 S   HC   _H37    62     1.09844   110.48474    64.74201
   78    72 S   OH5  _O22    69     1.42581   108.03363   170.64678
   79    78 S   HO   _H47    70     0.96984   106.55391   -59.96875
   80    64 S   OS1  _O18    63     1.42508   109.86728   -59.89540
   81    76 S   CT   _C18    64     1.52534   112.26178  -175.12528
   82    81 S   HC   _H41    65     1.08967   109.92117    60.01968
   83    81 S   HC   _H42    66     1.08935   110.00640   -60.92402
   84    81 S   OH5  _O25    67     1.41599   108.58093   179.49371
   85    84 S   HO   _H50    68     0.97183   107.06573  -179.98022
  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   8   5   4   3
  14   6   2   1   1  15   8   9  16   8   5   2   9   4   1   1
  11   4  12  11   5   7   4   3   3   1   6   2   1   1   8  13
   6  12   7  13   7   4   1  12   7   3   1   9   6   3   1   4
   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    59    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    45    52    59    60    40    63    43    44    47  
   38    39    41    59    40    43  
   36    37  
   37  
    0  
   39    41    42    45    46    49    51    52    53    59    40    43    44    47    48  
   41    42    45    52    40    43    44    47  
   63    64    43    41    51    52    53    59    60  
   42    45    46    49    50    51    52    53    59    60    63    54    57    43    44    47  
   45    46    49    51    52    53    59    43  
   44    47    48    45    52  
   47    48  
   46    49    50    51    52    53    59    54    57  
   49    50    51    52  
   48  
    0  
   50    51    52    53    59    54    55    56    61    57    58  
   51    52    54    57  
   52    53    59    60    63    54    55    56    61    62    57    58  
   53    59    60    63    64    54    55    56    61    57    58  
   59    60    63    54    57  
   55    56    61    62    57    58    59  
   56    61    62    57  
   61    62    57  
   58    59    61  
    0  
   60    63    64    65    66    80  
   63    64  
   62  
    0  
   64    65    66    67    68    76    80    70  
   65    66    67    68    69    72    76    77    80    81    74    70    71  
   66    67    68    76    80    70  
   67    68    69    72    73    76    80    78    74    75    70    71  
   68    69    72    80    74    70    71  
   69    72    73    76    77    80    81    78    79    74    75    70    71  
   72    73    76    78    74    75    70  
   71    72    74    80  
    0  
   73    76    77    80    81    82    83    84    78    79    74    75  
   76    77    80    81    78    79    74  
   75    76    78  
    0  
   77    80    81    82    83    84    85    78    79  
   80    81    82    83    84    78  
   79    80    81  
    0  
   81    82    83    84  
   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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   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   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    43   317.000  1.522
   41    42   340.000  1.090
   41    45   317.000  1.510
   41    52   268.000  1.529
   45    46   340.000  1.080
   45    49   549.000  1.340
   49    50   340.000  1.080
   49    51   317.000  1.510
   51    52   268.000  1.529
   51    54   268.000  1.529
   51    57   320.000  1.410
   52    53   340.000  1.090
   52    59   250.000  1.527
   59    60   340.000  1.090
   59    40   320.000  1.380
   59    63   320.000  1.380
   63    64   370.000  1.399
   64    65   360.000  1.097
   64    66   255.000  1.525
   64    80   370.000  1.399
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    70   355.000  1.421
   68    69   340.000  1.090
   68    72   268.000  1.529
   68    74   355.000  1.421
   72    73   340.000  1.090
   72    76   268.000  1.529
   72    78   355.000  1.421
   76    77   340.000  1.090
   76    80   335.000  1.422
   76    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   355.000  1.421
   84    85   580.000  0.967
   78    79   580.000  0.967
   74    75   580.000  0.967
   70    71   580.000  0.967
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   320.000  1.410
   61    62   553.000  0.945
   57    58   553.000  0.945
   43    44   570.000  1.229
   43    47   450.000  1.364
   47    48   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    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    43    63.00000  111.10000
   33    40    59    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    45    70.00000  112.02700
   38    41    52    58.35000  112.70000
   38    43    44    80.00000  120.40000
   38    43    47    70.00000  108.00000
   41    38    39    37.50000  110.70000
   41    45    46    35.00000  117.00000
   41    45    49    70.00000  124.00000
   41    52    51    58.35000  112.70000
   41    52    53    37.50000  110.70000
   41    52    59    75.00000  109.43000
   45    41    42    35.00000  109.50000
   45    49    50    35.00000  120.00000
   45    49    51    70.00000  124.00000
   49    45    46    35.00000  120.00000
   49    51    52    70.00000  112.02700
   49    51    54    70.00000  112.02700
   49    51    57    90.00000  110.39200
   51    49    50    35.00000  117.00000
   51    52    53    37.50000  110.70000
   51    52    59    75.00000  109.43000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    61    50.00000  109.50000
   51    57    58    55.00000  108.50000
   52    41    42    37.50000  110.70000
   52    41    45    70.00000  112.02700
   52    59    60    45.00000  112.01100
   52    59    40    90.00000  108.56700
   52    59    63    90.00000  108.56700
   59    52    53    45.00000  108.72000
   59    63    64    90.00000  112.10700
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
   40    59    60    35.00000  109.50000
   63    59    60    35.00000  109.50000
   63    59    40    92.60000  111.55000
   63    64    65    60.00000  105.75400
   63    64    66    90.00000  109.70700
   63    64    80   110.00000  113.16000
   64    66    67    45.00000  109.54000
   64    66    68    70.00000  111.10000
   64    66    70    90.00000  109.42000
   64    80    76    90.00000  112.10700
   66    64    65    45.00000  111.65000
   66    68    69    37.50000  110.70000
   66    68    72    58.35000  112.70000
   66    68    74    90.00000  111.45300
   66    70    71    65.00000  108.53500
   68    66    67    37.50000  110.70000
   68    72    73    37.50000  110.70000
   68    72    76    58.35000  112.70000
   68    72    78    90.00000  111.45300
   68    74    75    65.00000  108.53500
   72    68    69    37.50000  110.70000
   72    76    77    37.50000  110.70000
   72    76    80    95.00000  107.88500
   72    76    81    58.35000  112.70000
   72    78    79    65.00000  108.53500
   76    72    73    37.50000  110.70000
   76    81    82    37.50000  110.70000
   76    81    83    37.50000  110.70000
   76    81    84    90.00000  111.45300
   80    64    65    60.00000  105.75400
   80    64    66    90.00000  109.70700
   80    76    77    55.00000  108.98800
   81    76    77    37.50000  110.70000
   81    76    80    95.00000  107.88500
   81    84    85    65.00000  108.53500
   83    81    82    33.00000  107.80000
   84    81    82    60.00000  109.39000
   84    81    83    60.00000  109.39000
   78    72    73    60.00000  109.39000
   78    72    76    90.00000  111.45300
   74    68    69    60.00000  109.39000
   74    68    72    90.00000  111.45300
   70    66    67    60.00000  109.39000
   70    66    68    90.00000  111.45300
   54    51    52    58.35000  112.70000
   54    61    62    55.00000  108.50000
   56    54    55    33.00000  107.80000
   61    54    55    35.00000  109.50000
   61    54    56    35.00000  109.50000
   57    51    52    50.00000  109.50000
   57    51    54    50.00000  109.50000
   43    38    39    35.00000  109.50000
   43    38    41    63.00000  111.10000
   43    47    48    35.00000  113.00000
   47    43    44   100.00000  123.32000
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    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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    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    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    40    59   0.14700  1.0 1.0
   29    33    40    59  -1.16150 -1.0 2.0
   29    33    40    59   0.48700  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    45   0.34400  1.0 1.0
   33    38    41    45   0.09450 -1.0 2.0
   33    38    41    45   0.11100  1.0 3.0
   33    38    41    52   0.56750  1.0 1.0
   33    38    41    52  -0.07550 -1.0 2.0
   33    38    41    52   0.20000  1.0 3.0
   33    38    43    44   0.30150 -1.0 2.0
   33    38    43    47   0.50000  1.0 1.0
   33    38    43    47   0.27300 -1.0 2.0
   33    38    43    47   0.22500  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    43  -0.11250  1.0 3.0
   34    33    40    59   0.37050  1.0 3.0
   38    33    40    59   0.06250  1.0 1.0
   38    33    40    59  -0.01100 -1.0 2.0
   38    33    40    59   0.28050  1.0 3.0
   38    41    45    46   0.00000  1.0 1.0
   38    41    45    49   0.09850  1.0 1.0
   38    41    45    49   0.15250 -1.0 2.0
   38    41    45    49  -0.50650  1.0 3.0
   38    41    52    51   0.56750  1.0 1.0
   38    41    52    51  -0.07550 -1.0 2.0
   38    41    52    51   0.20000  1.0 3.0
   38    41    52    53   0.15000  1.0 3.0
   38    41   -52    59   3.97050  1.0 1.0
   38    43    47    48   1.50000  1.0 1.0
   38    43    47    48   2.45000 -1.0 2.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    45   0.15000  1.0 3.0
   39    38    41    52   0.15000  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    47   0.00000  1.0 1.0
   41    38    43    44   0.30150 -1.0 2.0
   41    38    43    47   0.50000  1.0 1.0
   41    38    43    47   0.27300 -1.0 2.0
   41    38    43    47   0.22500  1.0 3.0
   41    45    49    50   7.00000 -1.0 2.0
   41    45   -49    51   7.00000 -1.0 2.0
   41    52    59    60   0.15000  1.0 3.0
   41    52    59    40   0.62750  1.0 1.0
   41    52    59    40  -0.30950 -1.0 2.0
   41    52    59    40   0.27300  1.0 3.0
   41    52    59    63   0.62750  1.0 1.0
   41    52    59    63  -0.30950 -1.0 2.0
   41    52    59    63   0.27300  1.0 3.0
   42    41    45    46   0.33100  1.0 3.0
   42    41    45    49   0.00000  1.0 1.0
   42    41    52    51   0.15000  1.0 3.0
   42    41    52    53   0.15000  1.0 3.0
   42    41    52    59   0.15000  1.0 3.0
   45    41   -52    51   0.34400  1.0 1.0
   45    41   -52    51   0.09450 -1.0 2.0
   45    41   -52    51   0.11100  1.0 3.0
   45    41    52    53   0.15000  1.0 3.0
   45    41    52    59   0.34400  1.0 1.0
   45    41    52    59   0.09450 -1.0 2.0
   45    41    52    59   0.11100  1.0 3.0
   45    49   -51    52   0.09850  1.0 1.0
   45    49   -51    52   0.15250 -1.0 2.0
   45    49   -51    52  -0.50650  1.0 3.0
   45    49    51    54   0.09850  1.0 1.0
   45    49    51    54   0.15250 -1.0 2.0
   45    49    51    54  -0.50650  1.0 3.0
   45    49    51    57   0.67800  1.0 1.0
   45    49    51    57   0.47050 -1.0 2.0
   45    49    51    57  -0.62500  1.0 3.0
   46    45    49    50   7.00000 -1.0 2.0
   46    45    49    51   7.00000 -1.0 2.0
   49    51   -52    41   0.34400  1.0 1.0
   49    51   -52    41   0.09450 -1.0 2.0
   49    51   -52    41   0.11100  1.0 3.0
   49    51    52    53   0.15000  1.0 3.0
   49    51    52    59   0.34400  1.0 1.0
   49    51    52    59   0.09450 -1.0 2.0
   49    51    52    59   0.11100  1.0 3.0
   49    51    54    55   0.15000  1.0 3.0
   49    51    54    56   0.15000  1.0 3.0
   49    51    54    61   1.05650  1.0 1.0
   49    51    54    61   0.15600 -1.0 2.0
   49    51    54    61   0.53150  1.0 3.0
   49    51    57    58  -0.07800  1.0 1.0
   49    51    57    58  -0.21500 -1.0 2.0
   49    51    57    58  -0.03150  1.0 3.0
   50    49    51    52   0.00000  1.0 1.0
   50    49    51    54   0.00000  1.0 1.0
   50    49    51    57   0.00000  1.0 1.0
   51    52    59    60   0.15000  1.0 3.0
   51    52    59    40   0.62750  1.0 1.0
   51    52    59    40  -0.30950 -1.0 2.0
   51    52    59    40   0.27300  1.0 3.0
   51    52    59    63   0.62750  1.0 1.0
   51    52    59    63  -0.30950 -1.0 2.0
   51    52    59    63   0.27300  1.0 3.0
   51    54    61    62  -0.11600  1.0 1.0
   51    54    61    62  -0.09450 -1.0 2.0
   51    54    61    62   0.21250  1.0 3.0
   52    41    45    46   0.00000  1.0 1.0
   52    41   -45    49   0.09850  1.0 1.0
   52    41   -45    49   0.15250 -1.0 2.0
   52    41   -45    49  -0.50650  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    61   0.86500  1.0 1.0
   52    51    54    61  -0.17500 -1.0 2.0
   52    51    54    61   0.20800  1.0 3.0
   52    51    57    58  -0.11600  1.0 1.0
   52    51    57    58  -0.09450 -1.0 2.0
   52    51    57    58   0.21250  1.0 3.0
   52    59   -40    33   0.06250  1.0 1.0
   52    59   -40    33  -0.01100 -1.0 2.0
   52    59   -40    33   0.28050  1.0 3.0
   52    59    63    64   0.06250  1.0 1.0
   52    59    63    64  -0.01100 -1.0 2.0
   52    59    63    64   0.28050  1.0 3.0
   53    52    59    60   0.15000  1.0 3.0
   53    52    59    40   0.23400  1.0 3.0
   53    52    59    63   0.23400  1.0 3.0
   59    63    64    65   0.37050  1.0 3.0
   59    63    64    66   0.06250  1.0 1.0
   59    63    64    66  -0.01100 -1.0 2.0
   59    63    64    66   0.28050  1.0 3.0
   59    63    64    80  -0.12700  1.0 1.0
   59    63    64    80  -1.16200 -1.0 2.0
   59    63    64    80   0.58800  1.0 3.0
   60    59    40    33   0.37050  1.0 3.0
   60    59    63    64   0.37050  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33   -38    41   0.62750  1.0 1.0
   40    33   -38    41  -0.30950 -1.0 2.0
   40    33   -38    41   0.27300  1.0 3.0
   40    33    38    43  -0.09450  1.0 1.0
   40    33    38    43  -1.12950 -1.0 2.0
   40    33    38    43   0.54000  1.0 3.0
   40    59    63    64  -0.53350  1.0 1.0
   40    59    63    64  -0.78350 -1.0 2.0
   40    59    63    64   0.33750  1.0 3.0
   63    59    40    33  -0.81800  1.0 1.0
   63    64    66    67   0.23400  1.0 3.0
   63    64    66    68   0.62750  1.0 1.0
   63    64    66    68  -0.30950 -1.0 2.0
   63    64    66    68   0.27300  1.0 3.0
   63    64    66    70   1.51850  1.0 1.0
   63    64    80    76  -0.70400  1.0 1.0
   63    64    80    76  -0.90350 -1.0 2.0
   64    66    68    69   0.15000  1.0 3.0
   64    66    68    72   0.56750  1.0 1.0
   64    66    68    72  -0.07550 -1.0 2.0
   64    66    68    72   0.20000  1.0 3.0
   64    66    68    74  -0.47750  1.0 1.0
   64    66    70    71   0.29150  1.0 1.0
   64    66    70    71  -0.28350 -1.0 2.0
   64    66    70    71   0.43600  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    66    70   0.23400  1.0 3.0
   65    64    80    76   0.37050  1.0 3.0
   66    64    80    76   0.06250  1.0 1.0
   66    64    80    76  -0.01100 -1.0 2.0
   66    64    80    76   0.28050  1.0 3.0
   66    68    72    73   0.15000  1.0 3.0
   66    68   -72    76   0.56750  1.0 1.0
   66    68   -72    76  -0.07550 -1.0 2.0
   66    68   -72    76   0.20000  1.0 3.0
   66    68    72    78  -0.47750  1.0 1.0
   66    68    74    75   0.29150  1.0 1.0
   66    68    74    75  -0.28350 -1.0 2.0
   66    68    74    75   0.43600  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    72   0.15000  1.0 3.0
   67    66    68    74   0.23400  1.0 3.0
   67    66    70    71   0.19450  1.0 3.0
   68    66    70    71   0.29150  1.0 1.0
   68    66    70    71  -0.28350 -1.0 2.0
   68    66    70    71   0.43600  1.0 3.0
   68    72    76    77   0.15000  1.0 3.0
   68    72    76    80   0.62750  1.0 1.0
   68    72    76    80  -0.30950 -1.0 2.0
   68    72    76    80   0.27300  1.0 3.0
   68    72    76    81   0.56750  1.0 1.0
   68    72    76    81  -0.07550 -1.0 2.0
   68    72    76    81   0.20000  1.0 3.0
   68    72    78    79   0.29150  1.0 1.0
   68    72    78    79  -0.28350 -1.0 2.0
   68    72    78    79   0.43600  1.0 3.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    76   0.15000  1.0 3.0
   69    68    72    78   0.23400  1.0 3.0
   69    68    74    75   0.19450  1.0 3.0
   72    68    74    75   0.29150  1.0 1.0
   72    68    74    75  -0.28350 -1.0 2.0
   72    68    74    75   0.43600  1.0 3.0
   72    76   -80    64   0.06250  1.0 1.0
   72    76   -80    64  -0.01100 -1.0 2.0
   72    76   -80    64   0.28050  1.0 3.0
   72    76    81    82   0.15000  1.0 3.0
   72    76    81    83   0.15000  1.0 3.0
   72    76    81    84  -0.47750  1.0 1.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    80   0.23400  1.0 3.0
   73    72    76    81   0.15000  1.0 3.0
   73    72    78    79   0.19450  1.0 3.0
   76    72    78    79   0.29150  1.0 1.0
   76    72    78    79  -0.28350 -1.0 2.0
   76    72    78    79   0.43600  1.0 3.0
   76    81    84    85   0.29150  1.0 1.0
   76    81    84    85  -0.28350 -1.0 2.0
   76    81    84    85   0.43600  1.0 3.0
   77    76    80    64   0.37050  1.0 3.0
   77    76    81    82   0.15000  1.0 3.0
   77    76    81    83   0.15000  1.0 3.0
   77    76    81    84   0.23400  1.0 3.0
   80    64    66    67   0.23400  1.0 3.0
   80    64   -66    68   0.62750  1.0 1.0
   80    64   -66    68  -0.30950 -1.0 2.0
   80    64   -66    68   0.27300  1.0 3.0
   80    64    66    70   1.51850  1.0 1.0
   80    76    81    82   0.23400  1.0 3.0
   80    76    81    83   0.23400  1.0 3.0
   80    76    81    84   1.51850  1.0 1.0
   81    76    80    64   0.06250  1.0 1.0
   81    76    80    64  -0.01100 -1.0 2.0
   81    76    80    64   0.28050  1.0 3.0
   82    81    84    85   0.19450  1.0 3.0
   83    81    84    85   0.19450  1.0 3.0
   78    72    76    77   0.23400  1.0 3.0
   78    72    76    80   1.51850  1.0 1.0
   78    72    76    81  -0.47750  1.0 1.0
   74    68    72    73   0.23400  1.0 3.0
   74    68    72    76  -0.47750  1.0 1.0
   74    68    72    78   3.77950  1.0 1.0
   70    66    68    69   0.23400  1.0 3.0
   70    66    68    72  -0.47750  1.0 1.0
   70    66    68    74   3.77950  1.0 1.0
   54    51    52    41   0.56750  1.0 1.0
   54    51    52    41  -0.07550 -1.0 2.0
   54    51    52    41   0.20000  1.0 3.0
   54    51    52    53   0.15000  1.0 3.0
   54    51    52    59   3.97050  1.0 1.0
   54    51    57    58  -0.11600  1.0 1.0
   54    51    57    58  -0.09450 -1.0 2.0
   54    51    57    58   0.21250  1.0 3.0
   55    54    61    62   0.19450  1.0 3.0
   56    54    61    62   0.19450  1.0 3.0
   57    51    52    41   0.86500  1.0 1.0
   57    51    52    41  -0.17500 -1.0 2.0
   57    51    52    41   0.20800  1.0 3.0
   57    51    52    53   0.23400  1.0 3.0
   57    51    52    59   0.86500  1.0 1.0
   57    51    52    59  -0.17500 -1.0 2.0
   57    51    52    59   0.20800  1.0 3.0
   57    51    54    55   0.23400  1.0 3.0
   57    51    54    56   0.23400  1.0 3.0
   57    51    54    61   3.75450  1.0 1.0
   43    38    41    42  -0.11250  1.0 3.0
   43    38    41    45  -0.98800  1.0 1.0
   43    38    41    45   0.48800 -1.0 2.0
   43    38    41    45   0.76800  1.0 3.0
   43    38    41    52  -0.95700  1.0 1.0
   43    38    41    52  -0.18200 -1.0 2.0
   43    38    41    52   0.29450  1.0 3.0
   44    43    47    48   0.92200  1.0 1.0
   44    43    47    48   3.74100 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   41    46    45    49   1.10000 -1.0 2.0
   51    50    49    45   1.10000 -1.0 2.0
   38    47    43    44  10.50000 -1.0 2.0
END
