* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    156    249     470
    1     0 S   NP   _N1_     1    29.79694    95.05846   -25.36014
    2     1 S   H    _HN1     2     1.02970    76.71887    14.58292
    3     1 S   H    _H1_     3     1.02823    30.30882  -166.74791
    4     1 S   H    _H2_     4     1.02777   118.02142   -89.32438
    5     1 S   CT   _CA1     5     1.50166   123.60058   120.30623
    6     5 S   HC   _HA1     6     1.09584   105.16411    90.24747
    7     5 S   CO3  _C1_     7     1.53766   112.52576   -29.69639
    8     7 S   O2Z  _O11     8     1.26345   115.02131   -39.81594
    9     7 S   O2Z  _O12     9     1.26258   114.91574   139.22071
   10     5 S   CT   _CB1    10     1.53069   107.32661  -152.01439
   11    10 S   HC   HB11    11     1.09822   109.04683   -51.76246
   12    10 S   HC   HB12    12     1.09822   110.44847    64.64949
   13    10 S   CT   _CG1    13     1.53006   112.88105  -173.03807
   14    13 S   HC   HG11    14     1.09594   110.33008   -66.81533
   15    13 S   HC   HG12    15     1.09650   110.10164    52.44806
   16    13 S   C    _CD1    16     1.51764   112.27536   172.46613
   17    16 S   O    _OE1    17     1.22741   123.35470    -7.09998
   18    16 S   N    _N2_    18     1.38671   111.85593   174.17489
   19    18 S   H    _HN2    19     1.01572   119.19150     1.98722
   20    18 S   CT1  _CA2    20     1.45981   122.94416   179.58741
   21    20 S   HC   _HA2    21     1.09282   108.52490     5.10998
   22    20 S   C    _C2_    22     1.53490   109.89438  -109.96999
   23    22 S   O    _O2_    23     1.23070   121.90454  -149.81510
   24    20 S   CT   _CB2    32     1.53083   111.73790   126.68192
   25    24 S   HC   HB21    33     1.09665   109.52692    57.35678
   26    24 S   HC   HB22    34     1.09496   111.51577   174.57212
   27    22 S   N    _N3_    24     1.38422   113.87303    38.01952
   28    27 S   H    _HN3    25     1.01455   119.11271    -2.94377
   29    24 S   S    _SG2    35     1.82719   114.06007   -62.10606
   30    27 S   CT   _CA3    26     1.45359   123.34022   174.31152
   31    30 S   HC   HA31    27     1.09523   109.93639    21.16700
   32    30 S   HC   HA32    28     1.09517   107.11173   138.06132
   33    29 S   CT   _C11    36     1.85016   101.04859   -67.64025
   34    33 S   HC   _H7_    37     1.09510   107.07843    72.81501
   35    30 S   CO3  _C3_    29     1.52662   111.87016  -101.26024
   36    35 S   O2Z  _O31    30     1.26329   115.01945   -92.47980
   37    35 S   O2Z  _O32    31     1.26360   115.32354    87.26343
   38    33 S   CT   _C12    38     1.53616   108.42894  -166.64314
   39    38 S   HC   _H8_    39     1.09864   108.64495    52.61191
   40    33 S   OS   _O33    52     1.42885   109.85559   -45.73726
   41    38 S   CT   _C8_    40     1.54644   111.60588   172.60686
   42    41 S   HC   _H4_    41     1.09769   109.96228    77.17356
   43    38 S   CO3  _C13    81     1.54315   111.85346   -67.92534
   44    43 S   O2Z  _O35    82     1.26277   116.13726   -47.72724
   45    43 S   O2Z  _O34    83     1.26476   114.50140   132.58958
   46    41 S   CT   _C7_    42     1.53497   112.93560  -160.18484
   47    46 S   HC   _H16    43     1.09419   113.51972   -41.84077
   48    46 S   HC   _H17    44     1.09837   110.10780  -161.12004
   49    46 S   CT   _C6_    45     1.52919   104.75856    80.03754
   50    49 S   HC   _H3_    46     1.09570   111.21857   -91.96808
   51    49 S   CM   _C5_    47     1.50908   103.86546    26.99141
   52    49 S   OH   _O42    79     1.41693   110.51350   146.20350
   53    52 S   HO   _H24    80     0.97225   107.23088    59.10088
   54    41 S   CT   _C9_    48     1.53854   112.58792   -45.46334
   55    54 S   HC   _H5_    49     1.10023   107.88587   164.36628
   56    51 S   CM   _C4_    76     1.33944   123.49223   179.81977
   57    56 S   HC   _H14    77     1.08532   120.70294    -1.40973
   58    56 S   HC   _H15    78     1.08351   122.06860   179.08593
   59    54 S   CO   _C10    50     1.53134   112.04528    44.86059
   60    59 S   HC   _H6_    51     1.09487   109.30310  -169.19513
   61    59 S   OS1  _O36    53     1.43394   107.33851    73.87683
   62    61 S   CO1  _C14    54     1.43135   113.73566   167.88709
   63    62 S   HC   _H9_    55     1.09435   108.64406    53.25094
   64    62 S   CT   _C15    56     1.53392   107.10139   172.74969
   65    64 S   HC   _H10    57     1.09707   109.62531    54.53574
   66    64 S   CT   _C16    58     1.53062   111.24175   175.88753
   67    66 S   HC   _H11    59     1.09587   110.24505    73.64639
   68    64 S   OH5  _O41    74     1.42770   110.51644   -61.94747
   69    68 S   HO   _H23    75     0.97310   108.87911   -61.14661
   70    66 S   CT   _C17    60     1.53253   111.05282   -49.26635
   71    70 S   HC   _H12    61     1.09719   108.84672   -71.05748
   72    66 S   OH5  _O40    72     1.43010   109.47496  -170.40687
   73    72 S   HO   _H22    73     0.97204   108.11484    61.43463
   74    70 S   CT   _C18    62     1.53299   110.73893    49.79016
   75    74 S   HC   _H13    63     1.09827   111.08779    63.84432
   76    70 S   OH5  _O39    70     1.42463   109.96891   172.29531
   77    76 S   HO   _H21    71     0.97699   108.16861   -59.76830
   78    62 S   OS1  _O37    64     1.42921   111.31791   -67.59694
   79    74 S   CT   _C19    65     1.52942   111.52205  -175.29660
   80    79 S   HC   _H18    66     1.09498   111.00185    68.17568
   81    79 S   HC   _H19    67     1.09404   111.48146   -54.15670
   82    79 S   OH5  _O38    68     1.42519   109.16171  -173.19280
   83    82 S   HO   _H20    69     0.97224   106.98495   179.85598
  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  17   9   4   1   1  11   6   5
  10   5  10   3   1   8   4   3   1   1   6   2   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    46    54    59    60    40    61    43    44    45  
   38    39    41    59    40    43  
   36    37  
   37  
    0  
   39    41    42    46    47    48    49    51    54    55    59    40    43    44    45  
   41    42    46    54    40    43    44    45  
   61    62    43    41    51    54    55    59    60  
   42    46    47    48    49    50    51    54    55    59    60    61    56    52    43    44    45  
   46    47    48    49    51    54    55    59    43  
   44    45    46    54  
   45  
    0  
   47    48    49    50    51    54    55    59    56    52    53  
   48    49    50    51    54    52  
   49    50    51    54    52  
   50    51    54    55    59    56    57    58    52    53  
   51    54    56    52    53  
   54    55    59    60    61    56    57    58    52    53  
   53    54    56  
    0  
   55    59    60    61    62    56    57    58  
   59    60    61    56  
   57    58    59  
   58  
    0  
   60    61    62    63    64    78  
   61    62  
   62    63    64    65    66    74    78    68  
   63    64    65    66    67    70    74    75    78    79    72    68    69  
   64    65    66    74    78    68  
   65    66    67    70    71    74    78    76    72    73    68    69  
   66    67    70    78    72    68    69  
   67    70    71    74    75    78    79    76    77    72    73    68    69  
   70    71    74    76    72    73    68  
   69    70    72    78  
    0  
   71    74    75    78    79    80    81    82    76    77    72    73  
   74    75    78    79    76    77    72  
   73    74    76  
    0  
   75    78    79    80    81    82    83    76    77  
   78    79    80    81    82    76  
   77    78    79  
    0  
   79    80    81    82  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    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  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   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   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   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    46   268.000  1.529
   41    54   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   317.000  1.510
   49    52   320.000  1.410
   51    54   317.000  1.510
   51    56   549.000  1.340
   54    55   340.000  1.090
   54    59   250.000  1.527
   59    60   340.000  1.090
   59    40   320.000  1.380
   59    61   320.000  1.380
   61    62   370.000  1.399
   62    63   360.000  1.097
   62    64   255.000  1.525
   62    78   370.000  1.399
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    68   355.000  1.421
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    72   355.000  1.421
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    76   355.000  1.421
   74    75   340.000  1.090
   74    78   335.000  1.422
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   355.000  1.421
   82    83   580.000  0.967
   76    77   580.000  0.967
   72    73   580.000  0.967
   68    69   580.000  0.967
   56    57   340.000  1.080
   56    58   340.000  1.080
   52    53   553.000  0.945
   43    44   656.000  1.250
   43    45   656.000  1.250
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    70.00000  109.69300
   33    40    59    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    46    58.35000  112.70000
   38    41    54    58.35000  112.70000
   38    43    44    70.00000  117.00000
   38    43    45    70.00000  117.00000
   41    38    39    37.50000  110.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    49    58.35000  112.70000
   41    54    51    70.00000  112.02700
   41    54    55    37.50000  110.70000
   41    54    59    75.00000  109.43000
   46    41    42    37.50000  110.70000
   46    49    50    37.50000  110.70000
   46    49    51    70.00000  112.02700
   46    49    52    50.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    51    54    65.00000  117.92700
   49    51    56    70.00000  124.00000
   49    52    53    55.00000  108.50000
   51    49    50    35.00000  109.50000
   51    54    55    35.00000  109.50000
   51    54    59    70.00000  112.02700
   51    56    57    35.00000  120.00000
   51    56    58    35.00000  120.00000
   54    41    42    37.50000  110.70000
   54    41    46    58.35000  112.70000
   54    59    60    45.00000  112.01100
   54    59    40    90.00000  108.56700
   54    59    61    90.00000  108.56700
   59    54    55    45.00000  108.72000
   59    61    62    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
   61    59    60    35.00000  109.50000
   61    59    40    92.60000  111.55000
   61    62    63    60.00000  105.75400
   61    62    64    90.00000  109.70700
   61    62    78   110.00000  113.16000
   62    64    65    45.00000  109.54000
   62    64    66    70.00000  111.10000
   62    64    68    90.00000  109.42000
   62    78    74    90.00000  112.10700
   64    62    63    45.00000  111.65000
   64    66    67    37.50000  110.70000
   64    66    70    58.35000  112.70000
   64    66    72    90.00000  111.45300
   64    68    69    65.00000  108.53500
   66    64    65    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    74    58.35000  112.70000
   66    70    76    90.00000  111.45300
   66    72    73    65.00000  108.53500
   70    66    67    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    78    95.00000  107.88500
   70    74    79    58.35000  112.70000
   70    76    77    65.00000  108.53500
   74    70    71    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    90.00000  111.45300
   78    62    63    60.00000  105.75400
   78    62    64    90.00000  109.70700
   78    74    75    55.00000  108.98800
   79    74    75    37.50000  110.70000
   79    74    78    95.00000  107.88500
   79    82    83    65.00000  108.53500
   81    79    80    33.00000  107.80000
   82    79    80    60.00000  109.39000
   82    79    81    60.00000  109.39000
   76    70    71    60.00000  109.39000
   76    70    74    90.00000  111.45300
   72    66    67    60.00000  109.39000
   72    66    70    90.00000  111.45300
   68    64    65    60.00000  109.39000
   68    64    66    90.00000  111.45300
   56    51    54    70.00000  124.00000
   58    56    57    35.00000  117.00000
   52    49    50    35.00000  109.50000
   52    49    51    90.00000  110.39200
   43    38    39    35.00000  109.50000
   43    38    41    70.00000  109.69300
   45    43    44    80.00000  126.00000
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    46   0.56750  1.0 1.0
   33    38    41    46  -0.07550 -1.0 2.0
   33    38    41    46   0.20000  1.0 3.0
   33    38    41    54   0.56750  1.0 1.0
   33    38    41    54  -0.07550 -1.0 2.0
   33    38    41    54   0.20000  1.0 3.0
   33    38    43    44   0.41150 -1.0 2.0
   33    38    43    45   0.41150 -1.0 2.0
   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    46    47   0.15000  1.0 3.0
   38    41    46    48   0.15000  1.0 3.0
   38    41    46    49   0.56750  1.0 1.0
   38    41    46    49  -0.07550 -1.0 2.0
   38    41    46    49   0.20000  1.0 3.0
   38    41    54    51   0.34400  1.0 1.0
   38    41    54    51   0.09450 -1.0 2.0
   38    41    54    51   0.11100  1.0 3.0
   38    41    54    55   0.15000  1.0 3.0
   38    41   -54    59   3.97050  1.0 1.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    46   0.15000  1.0 3.0
   39    38    41    54   0.15000  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    45   0.00000  1.0 1.0
   41    38    43    44   0.41150 -1.0 2.0
   41    38    43    45   0.41150 -1.0 2.0
   41    46    49    50   0.15000  1.0 3.0
   41    46   -49    51   0.34400  1.0 1.0
   41    46   -49    51   0.09450 -1.0 2.0
   41    46   -49    51   0.11100  1.0 3.0
   41    46    49    52   0.86500  1.0 1.0
   41    46    49    52  -0.17500 -1.0 2.0
   41    46    49    52   0.20800  1.0 3.0
   41    54    59    60   0.15000  1.0 3.0
   41    54    59    40   0.62750  1.0 1.0
   41    54    59    40  -0.30950 -1.0 2.0
   41    54    59    40   0.27300  1.0 3.0
   41    54    59    61   0.62750  1.0 1.0
   41    54    59    61  -0.30950 -1.0 2.0
   41    54    59    61   0.27300  1.0 3.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    48   0.15000  1.0 3.0
   42    41    46    49   0.15000  1.0 3.0
   42    41    54    51   0.15000  1.0 3.0
   42    41    54    55   0.15000  1.0 3.0
   42    41    54    59   0.15000  1.0 3.0
   46    41   -54    51   0.34400  1.0 1.0
   46    41   -54    51   0.09450 -1.0 2.0
   46    41   -54    51   0.11100  1.0 3.0
   46    41    54    55   0.15000  1.0 3.0
   46    41    54    59   3.97050  1.0 1.0
   46    49   -51    54   0.46850  1.0 1.0
   46    49   -51    54   0.08550 -1.0 2.0
   46    49   -51    54   0.09800  1.0 3.0
   46    49    51    56   0.09850  1.0 1.0
   46    49    51    56   0.15250 -1.0 2.0
   46    49    51    56  -0.50650  1.0 3.0
   46    49    52    53  -0.11600  1.0 1.0
   46    49    52    53  -0.09450 -1.0 2.0
   46    49    52    53   0.21250  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    52   0.23400  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51   0.15000  1.0 3.0
   48    46    49    52   0.23400  1.0 3.0
   49    51   -54    41   0.46850  1.0 1.0
   49    51   -54    41   0.08550 -1.0 2.0
   49    51   -54    41   0.09800  1.0 3.0
   49    51    54    55   0.34800  1.0 3.0
   49    51    54    59   0.46850  1.0 1.0
   49    51    54    59   0.08550 -1.0 2.0
   49    51    54    59   0.09800  1.0 3.0
   49    51    56    57   7.00000 -1.0 2.0
   49    51    56    58   7.00000 -1.0 2.0
   50    49    51    54   0.34800  1.0 3.0
   50    49    51    56   0.00000  1.0 1.0
   50    49    52    53   0.19450  1.0 3.0
   51    49    52    53  -0.07800  1.0 1.0
   51    49    52    53  -0.21500 -1.0 2.0
   51    49    52    53  -0.03150  1.0 3.0
   51    54    59    60   0.15000  1.0 3.0
   51    54    59    40   0.61850  1.0 1.0
   51    54    59    40  -0.22750 -1.0 2.0
   51    54    59    40   0.15300  1.0 3.0
   51    54    59    61   0.61850  1.0 1.0
   51    54    59    61  -0.22750 -1.0 2.0
   51    54    59    61   0.15300  1.0 3.0
   54    41    46    47   0.15000  1.0 3.0
   54    41    46    48   0.15000  1.0 3.0
   54    41   -46    49   0.56750  1.0 1.0
   54    41   -46    49  -0.07550 -1.0 2.0
   54    41   -46    49   0.20000  1.0 3.0
   54    51    56    57   7.00000 -1.0 2.0
   54    51    56    58   7.00000 -1.0 2.0
   54    59   -40    33   0.06250  1.0 1.0
   54    59   -40    33  -0.01100 -1.0 2.0
   54    59   -40    33   0.28050  1.0 3.0
   54    59    61    62   0.06250  1.0 1.0
   54    59    61    62  -0.01100 -1.0 2.0
   54    59    61    62   0.28050  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    40   0.23400  1.0 3.0
   55    54    59    61   0.23400  1.0 3.0
   59    61    62    63   0.37050  1.0 3.0
   59    61    62    64   0.06250  1.0 1.0
   59    61    62    64  -0.01100 -1.0 2.0
   59    61    62    64   0.28050  1.0 3.0
   59    61    62    78  -0.12700  1.0 1.0
   59    61    62    78  -1.16200 -1.0 2.0
   59    61    62    78   0.58800  1.0 3.0
   60    59    40    33   0.37050  1.0 3.0
   60    59    61    62   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  -3.35100  1.0 1.0
   40    33    38    43  -0.37050 -1.0 2.0
   40    33    38    43   0.22400  1.0 3.0
   40    59    61    62  -0.53350  1.0 1.0
   40    59    61    62  -0.78350 -1.0 2.0
   40    59    61    62   0.33750  1.0 3.0
   61    59    40    33  -0.81800  1.0 1.0
   61    62    64    65   0.23400  1.0 3.0
   61    62    64    66   0.62750  1.0 1.0
   61    62    64    66  -0.30950 -1.0 2.0
   61    62    64    66   0.27300  1.0 3.0
   61    62    64    68   1.51850  1.0 1.0
   61    62    78    74  -0.70400  1.0 1.0
   61    62    78    74  -0.90350 -1.0 2.0
   62    64    66    67   0.15000  1.0 3.0
   62    64    66    70   0.56750  1.0 1.0
   62    64    66    70  -0.07550 -1.0 2.0
   62    64    66    70   0.20000  1.0 3.0
   62    64    66    72  -0.47750  1.0 1.0
   62    64    68    69   0.29150  1.0 1.0
   62    64    68    69  -0.28350 -1.0 2.0
   62    64    68    69   0.43600  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    64    68   0.23400  1.0 3.0
   63    62    78    74   0.37050  1.0 3.0
   64    62    78    74   0.06250  1.0 1.0
   64    62    78    74  -0.01100 -1.0 2.0
   64    62    78    74   0.28050  1.0 3.0
   64    66    70    71   0.15000  1.0 3.0
   64    66   -70    74   0.56750  1.0 1.0
   64    66   -70    74  -0.07550 -1.0 2.0
   64    66   -70    74   0.20000  1.0 3.0
   64    66    70    76  -0.47750  1.0 1.0
   64    66    72    73   0.29150  1.0 1.0
   64    66    72    73  -0.28350 -1.0 2.0
   64    66    72    73   0.43600  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    70   0.15000  1.0 3.0
   65    64    66    72   0.23400  1.0 3.0
   65    64    68    69   0.19450  1.0 3.0
   66    64    68    69   0.29150  1.0 1.0
   66    64    68    69  -0.28350 -1.0 2.0
   66    64    68    69   0.43600  1.0 3.0
   66    70    74    75   0.15000  1.0 3.0
   66    70    74    78   0.62750  1.0 1.0
   66    70    74    78  -0.30950 -1.0 2.0
   66    70    74    78   0.27300  1.0 3.0
   66    70    74    79   0.56750  1.0 1.0
   66    70    74    79  -0.07550 -1.0 2.0
   66    70    74    79   0.20000  1.0 3.0
   66    70    76    77   0.29150  1.0 1.0
   66    70    76    77  -0.28350 -1.0 2.0
   66    70    76    77   0.43600  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    74   0.15000  1.0 3.0
   67    66    70    76   0.23400  1.0 3.0
   67    66    72    73   0.19450  1.0 3.0
   70    66    72    73   0.29150  1.0 1.0
   70    66    72    73  -0.28350 -1.0 2.0
   70    66    72    73   0.43600  1.0 3.0
   70    74   -78    62   0.06250  1.0 1.0
   70    74   -78    62  -0.01100 -1.0 2.0
   70    74   -78    62   0.28050  1.0 3.0
   70    74    79    80   0.15000  1.0 3.0
   70    74    79    81   0.15000  1.0 3.0
   70    74    79    82  -0.47750  1.0 1.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    78   0.23400  1.0 3.0
   71    70    74    79   0.15000  1.0 3.0
   71    70    76    77   0.19450  1.0 3.0
   74    70    76    77   0.29150  1.0 1.0
   74    70    76    77  -0.28350 -1.0 2.0
   74    70    76    77   0.43600  1.0 3.0
   74    79    82    83   0.29150  1.0 1.0
   74    79    82    83  -0.28350 -1.0 2.0
   74    79    82    83   0.43600  1.0 3.0
   75    74    78    62   0.37050  1.0 3.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    82   0.23400  1.0 3.0
   78    62    64    65   0.23400  1.0 3.0
   78    62   -64    66   0.62750  1.0 1.0
   78    62   -64    66  -0.30950 -1.0 2.0
   78    62   -64    66   0.27300  1.0 3.0
   78    62    64    68   1.51850  1.0 1.0
   78    74    79    80   0.23400  1.0 3.0
   78    74    79    81   0.23400  1.0 3.0
   78    74    79    82   1.51850  1.0 1.0
   79    74    78    62   0.06250  1.0 1.0
   79    74    78    62  -0.01100 -1.0 2.0
   79    74    78    62   0.28050  1.0 3.0
   80    79    82    83   0.19450  1.0 3.0
   81    79    82    83   0.19450  1.0 3.0
   76    70    74    75   0.23400  1.0 3.0
   76    70    74    78   1.51850  1.0 1.0
   76    70    74    79  -0.47750  1.0 1.0
   72    66    70    71   0.23400  1.0 3.0
   72    66    70    74  -0.47750  1.0 1.0
   72    66    70    76   3.77950  1.0 1.0
   68    64    66    67   0.23400  1.0 3.0
   68    64    66    70  -0.47750  1.0 1.0
   68    64    66    72   3.77950  1.0 1.0
   56    51    54    41   0.09850  1.0 1.0
   56    51    54    41   0.15250 -1.0 2.0
   56    51    54    41  -0.50650  1.0 3.0
   56    51    54    55   0.00000  1.0 1.0
   56    51    54    59   0.09850  1.0 1.0
   56    51    54    59   0.15250 -1.0 2.0
   56    51    54    59  -0.50650  1.0 3.0
   52    49    51    54   0.18000  1.0 1.0
   52    49    51    54   0.16450 -1.0 2.0
   52    49    51    54   0.04450  1.0 3.0
   52    49    51    56   0.67800  1.0 1.0
   52    49    51    56   0.47050 -1.0 2.0
   52    49    51    56  -0.62500  1.0 3.0
   43    38    41    42  -0.11250  1.0 3.0
   43    38    41    46  -1.63150  1.0 1.0
   43    38    41    46  -0.43550 -1.0 2.0
   43    38    41    46   0.24500  1.0 3.0
   43    38    41    54  -1.63150  1.0 1.0
   43    38    41    54  -0.43550 -1.0 2.0
   43    38    41    54   0.24500  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
   49    54    51    56   1.10000 -1.0 2.0
   57    58    56    51   1.10000 -1.0 2.0
   44    38    43    45  10.50000 -1.0 2.0
END
