* LIGAND DATABASE FILE (OPLS2005)
*
001      94    96    170    247     483
    1     0 S   NP   _N1_     1    30.39580    94.67720   -27.48874
    2     1 S   H    _HN1     2     1.02792   138.74874   -95.43227
    3     1 S   H    _H1_     3     1.02950    73.79642     4.15105
    4     1 S   H    _H2_     4     1.02829    38.99350  -143.52242
    5     1 S   CT   _CA1     5     1.50122   104.71544   111.56025
    6     5 S   HC   _HA1     6     1.09575   105.17739    99.76680
    7     5 S   CO3  _C1_     7     1.53782   112.48827   -20.44532
    8     7 S   O2Z  _O11     8     1.26374   115.00567   -42.04646
    9     7 S   O2Z  _O12     9     1.26244   114.94785   137.05088
   10     5 S   CT   _CB1    10     1.53076   107.41215  -142.25941
   11    10 S   HC   HB11    11     1.09837   109.33749   -49.62848
   12    10 S   HC   HB12    12     1.09812   110.45920    66.96978
   13    10 S   CT   _CG1    13     1.53003   112.63045  -170.59916
   14    13 S   HC   HG11    14     1.09577   110.66418   -66.54885
   15    13 S   HC   HG12    15     1.09672   109.74829    52.68681
   16    13 S   C    _CD1    16     1.51809   112.15657   173.14262
   17    16 S   O    _OE1    17     1.22740   123.24311     8.85390
   18    16 S   N    _N2_    18     1.38650   111.71669  -171.08698
   19    18 S   H    _HN2    19     1.01563   118.96329     1.48925
   20    18 S   CT1  _CA2    20     1.46239   123.44071   177.22950
   21    20 S   HC   _HA2    21     1.09745   109.31665     6.62578
   22    20 S   C    _C2_    22     1.53664   108.73964  -108.84759
   23    22 S   O    _O2_    23     1.23075   122.31210  -147.97770
   24    20 S   CT   _CB2    32     1.53419   111.62922   128.62917
   25    24 S   HC   HB21    33     1.09484   109.77007    56.05227
   26    24 S   HC   HB22    34     1.09358   109.65098   174.78061
   27    22 S   N    _N3_    24     1.38340   113.80606    39.48113
   28    27 S   H    _HN3    25     1.01552   119.60516    -3.06816
   29    24 S   S    _SG2    35     1.82920   111.20642   -64.66262
   30    27 S   CT   _CA3    26     1.45285   123.24975   177.20768
   31    30 S   HC   HA31    27     1.09549   107.49459   -65.12894
   32    30 S   HC   HA32    28     1.09556   108.01300    51.32378
   33    29 S   CT   _C18    36     1.84788   101.17743  -168.99572
   34    33 S   OM   _O37    37     1.31911   110.28326   178.32684
   35    30 S   CO3  _C3_    29     1.52971   114.05913   173.33438
   36    35 S   O2Z  _O31    30     1.26380   116.07442    -0.69774
   37    35 S   O2Z  _O32    31     1.26426   114.41707   179.36419
   38    33 S   CT   _C19    38     1.54554   107.64554   -66.62037
   39    38 S   HC   _H15    39     1.09651   111.57650    67.45367
   40    38 S   HC   _H16    40     1.09817   113.28920   -55.21702
   41    38 S   HC   _H17    41     1.10018   111.20277  -176.21116
   42    33 S   OS   _O36    42     1.44555   114.63280    49.07727
   43    42 S   CA   _C13    43     1.36900   124.77318    58.21516
   44    43 S   CA   _C12    44     1.39307   125.32655    13.10005
   45    44 S   HA   _H9_    45     1.08466   122.04764    -0.43251
   46    44 S   CA   _C11    46     1.39990   120.84886   179.16537
   47    46 S   HA   _H8_    47     1.08634   116.87899   179.59170
   48    46 S   CA   _C10    48     1.39971   121.55600    -0.96429
   49    48 S   CA   _C9_    49     1.39989   117.27255     0.23323
   50    43 S   CA   _C14    50     1.40752   115.76313  -167.85866
   51    49 S   OS   _O33    61     1.36982   121.55663   179.06038
   52    50 S   CT   _C15    51     1.51258   120.94800    -0.00000
   53    52 S   HC   _H10    52     1.09580   111.78642    22.44941
   54    52 S   HC   _H11    53     1.09717   110.18865   141.38058
   55    51 S   CT   _C8_    62     1.44395   117.05002    27.17903
   56    52 S   OS   _O34    54     1.43495   108.04368   -98.09091
   57    55 S   CM   _C7_    63     1.52908   112.43584   -38.55578
   58    55 S   CT   _C20    87     1.53982   107.40079    84.46213
   59    58 S   HC   _H18    88     1.09666   110.70421    48.93613
   60    58 S   HC   _H19    89     1.09622   111.43403   -69.06088
   61    58 S   HC   _H20    90     1.09455   112.08464   169.70906
   62    55 S   CT   _C21    91     1.54072   103.26501  -160.95868
   63    62 S   HC   _H21    92     1.09717   110.64110   -52.41541
   64    62 S   HC   _H22    93     1.09490   112.63820  -172.89571
   65    62 S   HC   _H23    94     1.09653   110.93298    64.94440
   66    56 S   CO4  _C16    55     1.36149   115.51683  -174.97664
   67    66 S   O    _O35    56     1.22333   126.34209    -0.42750
   68    57 S   CA   _C22    64     1.47886   117.34088  -155.61304
   69    48 S   CM   _C6_    79     1.48392   123.09311   179.06665
   70    66 S   CT   _C17    57     1.49830   109.52260   179.47325
   71    70 S   HC   _H12    58     1.09299   109.81175   -60.79311
   72    70 S   HC   _H13    59     1.09378   109.36653  -179.82983
   73    70 S   HC   _H14    60     1.09289   109.83568    61.10419
   74    68 S   CA   _C23    65     1.40030   120.34654    95.89998
   75    74 S   HA   _H24    66     1.08755   120.57612    -0.37273
   76    69 S   CT   _C5_    80     1.51790   118.98752   -12.41116
   77    76 S   HC   _H6_    81     1.09567   110.96375  -150.26631
   78    76 S   HC   _H7_    82     1.09669   110.48569   -35.68974
   79    74 S   CA   _C24    67     1.39632   120.28152   179.66312
   80    79 S   HA   _H25    68     1.08744   119.24386   179.86583
   81    76 S   CT   _C4_    83     1.52487   113.03186    87.95783
   82    81 S   HC   _H3_    84     1.09392   112.08756   -58.89833
   83    81 S   HC   _H4_    85     1.09490   109.92723  -178.76204
   84    81 S   HC   _H5_    86     1.09423   111.38848    61.96328
   85    79 S   CA   _C25    69     1.39826   120.62382    -0.21122
   86    85 S   CA   _C26    70     1.39630   119.23677    -0.07402
   87    86 S   HA   _H26    71     1.08549   121.92411  -179.74977
   88    85 S   OS   _O38    74     1.36947   114.91585  -179.96044
   89    68 S   CA   _C27    72     1.39976   120.63645   -84.90264
   90    89 S   HA   _H27    73     1.08765   120.52564    -0.03426
   91    88 S   CT   _C28    75     1.42273   116.78476   179.96044
   92    91 S   HC   _H28    76     1.09428   107.75385   179.93439
   93    91 S   HC   _H29    77     1.09502   111.13603    62.17311
   94    91 S   HC   _H30    78     1.09502   111.12926   -62.30799
  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
   9   6   2   1   1   5   3   2   1   7  12   8   4   8   3  12
  12   8  13   6   3   2  14   6  20   9   3   2   1   5   2   1
   1   5   4  11   9   3   2   1   1   8   4   6   5   4   7   3
   3   2   1   1   9   5   3   5   1   1   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    50  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43  
   40    41    42  
   41    42  
   42  
   43    44    45    46    49    50    52  
   44    45    46    47    48    49    50    52    53    54    56    51  
   45    46    47    48    49    50    52    69  
   46    47    48    50  
   47    48    49    50    51    57    69    76  
   48    49    69  
   49    50    52    51    55    57    68    69    76    77    78    81  
   50    52    53    54    56    51    55    57    69    76    58    62  
   52    53    54    56    66    51    55    69  
   55    57    68    69    58    59    60    61    62    63    64    65    52  
   53    54    56    66    67    70  
   54    56    66  
   56    66  
   57    68    74    89    69    76    58    59    60    61    62    63    64    65  
   66    67    70    71    72    73  
   68    74    75    79    86    89    90    69    76    77    78    81    58    59    60    61    62    63    64    65  
   59    60    61    62    63    64    65    68    69  
   60    61    62  
   61    62  
   62  
   63    64    65    68    69  
   64    65  
   65  
    0  
   67    70    71    72    73  
   70    71    72    73  
   74    75    79    80    85    86    87    89    90    69    76  
   76    77    78    81    82    83    84    74    89  
   71    72    73  
   72    73  
   73  
    0  
   75    79    80    85    86    89    90    88  
   79    80    85    89  
   77    78    81    82    83    84  
   78    81    82    83    84  
   81    82    83    84  
   80    85    86    87    89    88    91  
   85    86    88  
   82    83    84  
   83    84  
   84  
    0  
   86    87    89    90    88    91    92    93    94  
   87    89    90    88    91  
   89    90    88  
   91    92    93    94    89  
   90  
    0  
   92    93    94  
   93    94  
   94  
    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   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   51   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660   0.231800   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   57   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   88   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   89   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   90   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   91   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.030000   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   570.000  1.307
   33    38   268.000  1.529
   33    42   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   450.000  1.364
   43    44   469.000  1.400
   43    50   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   469.000  1.400
   48    69   320.000  1.460
   49    50   469.000  1.400
   49    51   450.000  1.364
   50    52   317.000  1.510
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    56   320.000  1.410
   56    66   214.000  1.327
   66    67   570.000  1.229
   66    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   51    55   320.000  1.410
   55    57   317.000  1.510
   55    58   268.000  1.529
   55    62   268.000  1.529
   57    68   320.000  1.460
   57    69   549.000  1.340
   68    74   469.000  1.400
   68    89   469.000  1.400
   74    75   367.000  1.080
   74    79   469.000  1.400
   79    80   367.000  1.080
   79    85   469.000  1.400
   85    86   469.000  1.400
   85    88   450.000  1.364
   86    87   367.000  1.080
   86    89   469.000  1.400
   89    90   367.000  1.080
   88    91   320.000  1.410
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   69    76   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    75.00000  111.00000
   38    33    34    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34   110.00000  112.65000
   42    33    38    50.00000  109.50000
   42    43    44    70.00000  120.00000
   42    43    50    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    46    63.00000  120.00000
   43    50    49    63.00000  120.00000
   43    50    52    70.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    48    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    48    49    63.00000  120.00000
   46    48    69    60.00000  120.93500
   48    46    47    35.00000  120.00000
   48    49    50    63.00000  120.00000
   48    49    51    70.00000  120.00000
   48    69    57    60.00000  123.20500
   48    69    76    65.00000  118.87000
   49    50    52    70.00000  120.00000
   49    51    55    75.00000  111.00000
   50    43    44    63.00000  120.00000
   50    52    53    35.00000  109.50000
   50    52    54    35.00000  109.50000
   50    52    56    85.00000  111.85700
   52    56    66    83.00000  116.90000
   54    52    53    33.00000  107.80000
   56    52    53    35.00000  109.50000
   56    52    54    35.00000  109.50000
   56    66    67    83.00000  123.40000
   56    66    70    81.00000  111.40000
   66    70    71    35.00000  109.50000
   66    70    72    35.00000  109.50000
   66    70    73    35.00000  109.50000
   70    66    67    80.00000  120.40000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   51    49    50    70.00000  120.00000
   51    55    57    85.00000  110.90400
   51    55    58    50.00000  109.50000
   51    55    62    50.00000  109.50000
   55    57    68    60.00000  124.00000
   55    57    69    70.00000  124.00000
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    61    37.50000  110.70000
   55    62    63    37.50000  110.70000
   55    62    64    37.50000  110.70000
   55    62    65    37.50000  110.70000
   57    68    74    60.00000  118.70000
   57    68    89    60.00000  118.70000
   57    69    76    70.00000  124.00000
   68    74    75    35.00000  120.00000
   68    74    79    63.00000  120.00000
   68    89    86    63.00000  120.00000
   68    89    90    35.00000  120.00000
   74    79    80    35.00000  120.00000
   74    79    85    63.00000  120.00000
   79    74    75    35.00000  120.00000
   79    85    86    63.00000  120.00000
   79    85    88    70.00000  120.00000
   85    79    80    35.00000  120.00000
   85    86    87    35.00000  120.00000
   85    86    89    63.00000  120.00000
   85    88    91    75.00000  111.00000
   86    89    90    35.00000  120.00000
   89    68    74    63.00000  120.00000
   89    86    87    35.00000  120.00000
   88    85    86    70.00000  120.00000
   88    91    92    35.00000  109.50000
   88    91    93    35.00000  109.50000
   88    91    94    35.00000  109.50000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   69    48    49    60.00000  120.93500
   69    57    68    60.00000  123.66000
   69    76    77    35.00000  109.50000
   69    76    78    35.00000  109.50000
   69    76    81    70.00000  112.02700
   76    81    82    37.50000  110.70000
   76    81    83    37.50000  110.70000
   76    81    84    37.50000  110.70000
   78    76    77    33.00000  107.80000
   81    76    77    37.50000  110.70000
   81    76    78    37.50000  110.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   58    55    57    70.00000  112.02700
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    55    57    70.00000  112.02700
   62    55    58    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   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    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.14700  1.0 1.0
   29    33    42    43  -1.16150 -1.0 2.0
   29    33    42    43   0.48700  1.0 3.0
   33    42    43    44   1.63200 -1.0 2.0
   33    42    43    50   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    42    43  -0.25600  1.0 1.0
   34    33    42    43  -0.40050 -1.0 2.0
   34    33    42    43   0.34700  1.0 3.0
   38    33    42    43  -0.32850  1.0 1.0
   38    33    42    43  -0.35800 -1.0 2.0
   38    33    42    43   0.33950  1.0 3.0
   42    33    38    39   0.23400  1.0 3.0
   42    33    38    40   0.23400  1.0 3.0
   42    33    38    41   0.23400  1.0 3.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    46   3.62500 -1.0 2.0
   42    43    50    49   3.62500 -1.0 2.0
   42    43    50    52   3.62500 -1.0 2.0
   43    44    46    47   3.62500 -1.0 2.0
   43    44    46    48   3.62500 -1.0 2.0
   43    50    52    53   0.00000  1.0 1.0
   43    50    52    54   0.00000  1.0 1.0
   43    50    52    56   0.64500  1.0 1.0
   43    50    52    56   0.14800 -1.0 2.0
   43    50    52    56   0.20650  1.0 3.0
   44    43    50    49   3.62500 -1.0 2.0
   44    43    50    52   3.62500 -1.0 2.0
   44    46   -48    49   3.62500 -1.0 2.0
   44    46    48    69   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48    49    50   3.62500 -1.0 2.0
   46    48    49    51   3.62500 -1.0 2.0
   46    48    69    57   0.15800  1.0 1.0
   46    48    69    57   1.85350 -1.0 2.0
   46    48    69    57  -0.48700  1.0 3.0
   46    48    69    76  -0.02500  1.0 1.0
   46    48    69    76  -0.32150 -1.0 2.0
   46    48    69    76  -0.01500  1.0 3.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    69   3.62500 -1.0 2.0
   48    49   -50    43   3.62500 -1.0 2.0
   48    49    50    52   3.62500 -1.0 2.0
   48    49    51    55   1.63200 -1.0 2.0
   48    69    76    77   0.77000  1.0 3.0
   48    69    76    78   0.77000  1.0 3.0
   48    69    76    81  -0.01700  1.0 1.0
   48    69    76    81   0.06550 -1.0 2.0
   48    69    76    81  -0.91500  1.0 3.0
   49    48    69    57   0.15800  1.0 1.0
   49    48    69    57   1.85350 -1.0 2.0
   49    48    69    57  -0.48700  1.0 3.0
   49    48    69    76  -0.02500  1.0 1.0
   49    48    69    76  -0.32150 -1.0 2.0
   49    48    69    76  -0.01500  1.0 3.0
   49    50    52    53   0.00000  1.0 1.0
   49    50    52    54   0.00000  1.0 1.0
   49    50    52    56   0.64500  1.0 1.0
   49    50    52    56   0.14800 -1.0 2.0
   49    50    52    56   0.20650  1.0 3.0
   49    51   -55    57  -0.25600  1.0 1.0
   49    51   -55    57  -0.40050 -1.0 2.0
   49    51   -55    57   0.34700  1.0 3.0
   49    51    55    58  -0.32850  1.0 1.0
   49    51    55    58  -0.35800 -1.0 2.0
   49    51    55    58   0.33950  1.0 3.0
   49    51    55    62  -0.32850  1.0 1.0
   49    51    55    62  -0.35800 -1.0 2.0
   49    51    55    62   0.33950  1.0 3.0
   50    43    44    45   3.62500 -1.0 2.0
   50    43   -44    46   3.62500 -1.0 2.0
   50    49    51    55   1.63200 -1.0 2.0
   50    52    56    66  -0.43900 -1.0 2.0
   50    52    56    66   0.14100  1.0 3.0
   52    56    66    67   3.00000 -1.0 2.0
   52    56    66    70   1.63150  1.0 1.0
   52    56    66    70   2.92000 -1.0 2.0
   53    52    56    66   0.08050  1.0 3.0
   54    52    56    66   0.08050  1.0 3.0
   56    66    70    71   0.00000  1.0 1.0
   56    66    70    72   0.00000  1.0 1.0
   56    66    70    73   0.00000  1.0 1.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    72   0.00000  1.0 1.0
   67    66    70    73   0.00000  1.0 1.0
   51    49    50    43   3.62500 -1.0 2.0
   51    49    50    52   3.62500 -1.0 2.0
   51    55    57    68   0.09700  1.0 1.0
   51    55    57    68   0.15600 -1.0 2.0
   51    55    57    68  -0.50800  1.0 3.0
   51    55    57    69   0.39000  1.0 1.0
   51    55    57    69  -0.05800 -1.0 2.0
   51    55    57    69  -0.55150  1.0 3.0
   51    55    58    59   0.23400  1.0 3.0
   51    55    58    60   0.23400  1.0 3.0
   51    55    58    61   0.23400  1.0 3.0
   51    55    62    63   0.23400  1.0 3.0
   51    55    62    64   0.23400  1.0 3.0
   51    55    62    65   0.23400  1.0 3.0
   55    57    68    74  -0.02500  1.0 1.0
   55    57    68    74  -0.32150 -1.0 2.0
   55    57    68    74  -0.01500  1.0 3.0
   55    57    68    89  -0.02500  1.0 1.0
   55    57    68    89  -0.32150 -1.0 2.0
   55    57    68    89  -0.01500  1.0 3.0
   55    57   -69    48   7.00000 -1.0 2.0
   55    57    69    76   7.00000 -1.0 2.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    61   0.15000  1.0 3.0
   57    55    62    63   0.15000  1.0 3.0
   57    55    62    64   0.15000  1.0 3.0
   57    55    62    65   0.15000  1.0 3.0
   57    68    74    75   3.62500 -1.0 2.0
   57    68    74    79   3.62500 -1.0 2.0
   57    68    89    86   3.62500 -1.0 2.0
   57    68    89    90   3.62500 -1.0 2.0
   57    69    76    77   0.00000  1.0 1.0
   57    69    76    78   0.00000  1.0 1.0
   57    69    76    81   0.09850  1.0 1.0
   57    69    76    81   0.15250 -1.0 2.0
   57    69    76    81  -0.50650  1.0 3.0
   68    57    69    48   7.00000 -1.0 2.0
   68    57    69    76   7.00000 -1.0 2.0
   68    74    79    80   3.62500 -1.0 2.0
   68    74    79    85   3.62500 -1.0 2.0
   74    68    89    86   3.62500 -1.0 2.0
   74    68    89    90   3.62500 -1.0 2.0
   74    79   -85    86   3.62500 -1.0 2.0
   74    79    85    88   3.62500 -1.0 2.0
   75    74    79    80   3.62500 -1.0 2.0
   75    74    79    85   3.62500 -1.0 2.0
   79    85    86    87   3.62500 -1.0 2.0
   79    85    86    89   3.62500 -1.0 2.0
   79    85    88    91   1.63200 -1.0 2.0
   80    79    85    86   3.62500 -1.0 2.0
   80    79    85    88   3.62500 -1.0 2.0
   85    86   -89    68   3.62500 -1.0 2.0
   85    86    89    90   3.62500 -1.0 2.0
   85    88    91    92   0.08050  1.0 3.0
   85    88    91    93   0.08050  1.0 3.0
   85    88    91    94   0.08050  1.0 3.0
   86    85    88    91   1.63200 -1.0 2.0
   87    86    89    68   3.62500 -1.0 2.0
   87    86    89    90   3.62500 -1.0 2.0
   89    68    74    75   3.62500 -1.0 2.0
   89    68   -74    79   3.62500 -1.0 2.0
   88    85    86    87   3.62500 -1.0 2.0
   88    85    86    89   3.62500 -1.0 2.0
   69    48    49    50   3.62500 -1.0 2.0
   69    48   -49    51   3.62500 -1.0 2.0
   69    57    68    74   0.15800  1.0 1.0
   69    57    68    74   1.85350 -1.0 2.0
   69    57    68    74  -0.48700  1.0 3.0
   69    57    68    89   0.15800  1.0 1.0
   69    57    68    89   1.85350 -1.0 2.0
   69    57    68    89  -0.48700  1.0 3.0
   69    76    81    82   0.15000  1.0 3.0
   69    76    81    83   0.15000  1.0 3.0
   69    76    81    84   0.15000  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   0.15000  1.0 3.0
   78    76    81    82   0.15000  1.0 3.0
   78    76    81    83   0.15000  1.0 3.0
   78    76    81    84   0.15000  1.0 3.0
   58    55    57    68  -0.01700  1.0 1.0
   58    55    57    68   0.06550 -1.0 2.0
   58    55    57    68  -0.91500  1.0 3.0
   58    55    57    69   0.09850  1.0 1.0
   58    55    57    69   0.15250 -1.0 2.0
   58    55    57    69  -0.50650  1.0 3.0
   58    55    62    63   0.15000  1.0 3.0
   58    55    62    64   0.15000  1.0 3.0
   58    55    62    65   0.15000  1.0 3.0
   62    55    57    68  -0.01700  1.0 1.0
   62    55    57    68   0.06550 -1.0 2.0
   62    55    57    68  -0.91500  1.0 3.0
   62    55    57    69   0.09850  1.0 1.0
   62    55    57    69   0.15250 -1.0 2.0
   62    55    57    69  -0.50650  1.0 3.0
   62    55    58    59   0.15000  1.0 3.0
   62    55    58    60   0.15000  1.0 3.0
   62    55    58    61   0.15000  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
   44    50    43    42   4.00000 -1.0 2.0
   46    45    44    43   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   49    69    48    46   4.00000 -1.0 2.0
   50    51    49    48   4.00000 -1.0 2.0
   49    52    50    43   4.00000 -1.0 2.0
   56    70    66    67  10.50000 -1.0 2.0
   55    68    57    69   1.10000 -1.0 2.0
   74    89    68    57   4.00000 -1.0 2.0
   79    75    74    68   1.10000 -1.0 2.0
   85    80    79    74   1.10000 -1.0 2.0
   86    88    85    79   4.00000 -1.0 2.0
   89    87    86    85   1.10000 -1.0 2.0
   86    90    89    68   1.10000 -1.0 2.0
   48    76    69    57   1.10000 -1.0 2.0
END
