* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    160    247     470
    1     0 S   NP   _N1_     1    28.98779    96.75404   -25.46684
    2     1 S   H    _HN1     2     1.02824    35.77475   177.30819
    3     1 S   H    _H1_     3     1.02803   121.52567  -106.27983
    4     1 S   H    _H2_     4     1.02944    71.38889    -5.70015
    5     1 S   CT   _CA1     5     1.50150   122.67097    97.08813
    6     5 S   HC   _HA1     6     1.09571   105.14193    97.34133
    7     5 S   CO3  _C1_     7     1.53761   112.41859   -22.88626
    8     7 S   O2Z  _O11     8     1.26388   115.00149   -43.04706
    9     7 S   O2Z  _O12     9     1.26224   114.94998   135.83058
   10     5 S   CT   _CB1    10     1.53033   107.37928  -144.67113
   11    10 S   HC   HB11    11     1.09852   109.35576   -48.62310
   12    10 S   HC   HB12    12     1.09809   110.47120    67.95609
   13    10 S   CT   _CG1    13     1.53060   112.68006  -169.49580
   14    13 S   HC   HG11    14     1.09555   110.85479   -68.20586
   15    13 S   HC   HG12    15     1.09658   109.63320    51.07039
   16    13 S   C    _CD1    16     1.51814   111.59450   171.69920
   17    16 S   O    _OE1    17     1.22794   122.99764    19.01027
   18    16 S   N    _N2_    18     1.38586   112.10203  -161.02822
   19    18 S   H    _HN2    19     1.01602   119.13848    -0.06256
   20    18 S   CT1  _CA2    20     1.46271   123.38418   176.45563
   21    20 S   HC   _HA2    21     1.09737   109.18545    11.62095
   22    20 S   C    _C2_    22     1.53781   109.24192  -104.09264
   23    22 S   O    _O2_    23     1.23115   122.13369  -150.47117
   24    20 S   CT   _CB2    32     1.53421   111.51488   133.56158
   25    24 S   HC   HB21    33     1.09407   109.47844    58.60059
   26    24 S   HC   HB22    34     1.09462   109.91872   177.14295
   27    22 S   N    _N3_    24     1.38282   114.09078    37.03261
   28    27 S   H    _HN3    25     1.01504   119.65100    -3.07873
   29    24 S   S    _SG2    35     1.82848   111.25847   -63.39281
   30    27 S   CT   _CA3    26     1.45272   123.33593   177.33200
   31    30 S   HC   HA31    27     1.09545   107.51526   -65.16211
   32    30 S   HC   HA32    28     1.09555   108.00420    51.30646
   33    29 S   CT   _C15    36     1.87032   101.28015   164.94482
   34    30 S   CO3  _C3_    29     1.52989   114.02733   173.33959
   35    34 S   O2Z  _O31    30     1.26391   116.10976     0.65611
   36    34 S   O2Z  _O32    31     1.26426   114.40984  -179.29947
   37    33 S   CT   _C16    37     1.58060   109.93616  -175.66054
   38    37 S   HC   _H5_    38     1.10012   107.95999    39.77223
   39    33 S   CT   _C22    82     1.55188   107.20006    62.22350
   40    39 S   HC   _H21    83     1.09567   111.63366   -71.58419
   41    39 S   HC   _H22    84     1.09536   111.78754   169.38025
   42    39 S   HC   _H23    85     1.09511   112.56740    49.06659
   43    37 S   CM   _C12    39     1.53144   103.88184   153.18637
   44    37 S   CT   _C17    52     1.54125   115.28008   -82.22077
   45    44 S   HC   _H6_    53     1.09919   109.44648   -68.27671
   46    43 S   CM   _C11    40     1.35237   127.62233   175.86654
   47    43 S   CT   _C13    76     1.52106   108.97293    -8.88688
   48    47 S   HC   _H17    77     1.09763   108.51078   101.76926
   49    47 S   HC   _H18    78     1.09736   112.88028  -139.11487
   50    46 S   CT   _C10    41     1.51725   124.44970     3.40548
   51    50 S   HC   _H15    42     1.09794   108.53741    69.91167
   52    50 S   HC   _H16    43     1.09830   108.24030  -176.70099
   53    46 S   CT   _C23    71     1.51375   122.27173  -178.60942
   54    53 S   HC   _H24    72     1.09593   109.81173   128.62431
   55    53 S   HC   _H25    73     1.09269   113.63504     9.11335
   56    33 S   CT   _C14    79     1.57374   114.68116   -59.09598
   57    56 S   OM   _O37    80     1.32743   112.86653   -44.12398
   58    56 S   HC   _H4_    81     1.09979   108.32250    88.88055
   59    50 S   CT   _C9_    44     1.53407   117.62577   -55.68644
   60    59 S   HC   _H3_    45     1.09825   107.73839  -169.77240
   61    53 S   OH   _O38    74     1.42132   109.32862  -112.20875
   62    61 S   HO   _H26    75     0.97202   106.98965   179.52936
   63    59 S   CT   _C18    46     1.52815   111.78752    71.62916
   64    63 S   HC   _H7_    47     1.09984   108.96696    52.50383
   65    59 S   OS   _O34    57     1.44313   110.10880   -50.76688
   66    63 S   CM   _C19    48     1.49520   117.31924   173.13124
   67    65 S   CO4  _C8_    58     1.35758   117.72853   -81.52710
   68    67 S   O    _O33    59     1.22089   126.98245    -1.18844
   69    66 S   CO4  _C21    49     1.47917   107.32885   153.44756
   70    69 S   O    _O35    50     1.21693   127.32048   166.78518
   71    66 S   CM   _C20    54     1.33552   131.01739   -24.80847
   72    71 S   HC   _H19    55     1.08422   121.44858    -1.16163
   73    71 S   HC   _H20    56     1.08543   121.50345   178.97454
   74    67 S   CM   _C6_    60     1.48462   108.39125   179.23051
   75    69 S   OS   _O36    51     1.36415   106.44638   -11.79989
   76    74 S   CM   _C5_    61     1.34468   120.51778  -135.30779
   77    76 S   HC   _H11    62     1.08926   117.80141  -177.85078
   78    74 S   CT   _C7_    67     1.50025   116.90471    46.72497
   79    78 S   HC   _H12    68     1.09492   110.69081   -70.65049
   80    78 S   HC   _H13    69     1.09518   110.42874    49.55991
   81    78 S   HC   _H14    70     1.09520   111.94523   169.20730
   82    76 S   CT   _C4_    63     1.49586   128.23206     3.90480
   83    82 S   HC   _H8_    64     1.09403   109.95819  -109.90289
   84    82 S   HC   _H9_    65     1.09503   109.34299   131.57394
   85    82 S   HC   _H10    66     1.09237   113.55036    12.17174
  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  13   5   4   3
  18   2   1   1  23   9   9   3   2   1  19  15   6  16   7   4
   3  13   6   5   5   3   2   2   1   1  11   5   1   1  10   5
   6   6   9   3   5   2   3   1   1  10   1   9   5   4   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    44    47    56    57    58    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    46    63    75    44    45    47    48    49    56    57    58    39    40    41    42  
   35    36  
   36  
    0  
   38    43    46    50    59    63    64    66    69    75    44    45    53    47    48    49    56    57    58    39    40    41    42  
   43    46    63    75    44    45    47    56    39  
   40    41    42    43    44    47    56    57    58  
   41    42    56  
   42    56  
   56  
   46    50    51    52    59    63    75    44    45    53    54    55    61    47    48    49    56    57    58  
   45    71    65    47    56    46    50    59    60    63    64    66    69    70    75  
   59    63    64    66    69    75  
   50    51    52    59    60    63    65    53    54    55    61    62    47    48    49    56  
   48    49    56    57    58    50    53  
   49    56    57    58  
   56    57    58  
   51    52    59    60    63    64    66    65    67    53    54    55    61  
   52    59    60    63    65    53  
   59    60    63    65    53  
   54    55    61    62    59  
   55    61    62  
   61    62  
   57    58  
   58  
    0  
   60    63    64    66    69    75    71    65    67    68    74  
   63    64    66    65    67  
   62  
    0  
   64    66    69    70    75    71    72    73    65    67  
   66    69    75    71    65  
   67    68    74    76    78    66  
   69    70    75    71    72    73  
   68    74    76    77    82    78    79    80    81  
   74    76    78  
   70    75    71    72    73  
   75    71  
   72    73    75  
   73  
    0  
   76    77    82    83    84    85    78    79    80    81  
    0  
   77    82    83    84    85    78    79    80    81  
   82    83    84    85    78  
   79    80    81    82  
   80    81  
   81  
    0  
   83    84    85  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   58   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    56   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   317.000  1.510
   37    44   268.000  1.529
   43    46   549.000  1.340
   43    47   317.000  1.510
   46    50   317.000  1.510
   46    53   317.000  1.510
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    59   268.000  1.529
   59    60   340.000  1.090
   59    63   268.000  1.529
   59    65   320.000  1.410
   63    64   340.000  1.090
   63    66   317.000  1.510
   63    44   268.000  1.529
   66    69   320.000  1.462
   66    71   549.000  1.340
   69    70   570.000  1.229
   69    75   214.000  1.327
   75    44   320.000  1.410
   44    45   340.000  1.090
   71    72   340.000  1.080
   71    73   340.000  1.080
   65    67   214.000  1.327
   67    68   570.000  1.229
   67    74   320.000  1.462
   74    76   549.000  1.340
   74    78   317.000  1.510
   76    77   340.000  1.080
   76    82   317.000  1.510
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    61   320.000  1.410
   61    62   553.000  0.945
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    56   268.000  1.529
   56    57   570.000  1.307
   56    58   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    56    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    70.00000  112.02700
   33    37    44    58.35000  112.70000
   33    56    47    58.35000  112.70000
   33    56    57    50.00000  109.50000
   33    56    58    37.50000  110.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    46    70.00000  124.00000
   37    43    47    65.00000  117.92700
   37    44    63    58.35000  112.70000
   37    44    75    50.00000  109.50000
   37    44    45    37.50000  110.70000
   43    37    38    35.00000  109.50000
   43    46    50    70.00000  124.00000
   43    46    53    70.00000  124.00000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    56    70.00000  112.02700
   46    50    51    35.00000  109.50000
   46    50    52    35.00000  109.50000
   46    50    59    70.00000  112.02700
   46    53    54    35.00000  109.50000
   46    53    55    35.00000  109.50000
   46    53    61    90.00000  110.39200
   50    59    60    37.50000  110.70000
   50    59    63    58.35000  112.70000
   50    59    65    50.00000  109.50000
   52    50    51    33.00000  107.80000
   59    50    51    37.50000  110.70000
   59    50    52    37.50000  110.70000
   59    63    64    37.50000  110.70000
   59    63    66    70.00000  112.02700
   59    63    44    58.35000  112.70000
   59    65    67    83.00000  116.90000
   63    59    60    37.50000  110.70000
   63    66    69    65.00000  116.34900
   63    66    71    70.00000  124.00000
   63    44    75    50.00000  109.50000
   63    44    45    37.50000  110.70000
   66    63    64    35.00000  109.50000
   66    69    70    80.00000  123.72100
   66    69    75    90.00000  111.29400
   66    71    72    35.00000  120.00000
   66    71    73    35.00000  120.00000
   69    75    44    83.00000  116.90000
   75    69    70    83.00000  123.40000
   75    44    45    35.00000  109.50000
   44    37    38    37.50000  110.70000
   44    37    43    70.00000  112.02700
   44    63    64    37.50000  110.70000
   44    63    66    70.00000  112.02700
   71    66    69    65.00000  118.96000
   73    71    72    35.00000  117.00000
   65    59    60    35.00000  109.50000
   65    59    63    50.00000  109.50000
   65    67    68    83.00000  123.40000
   65    67    74    90.00000  111.29400
   67    74    76    65.00000  118.96000
   67    74    78    65.00000  116.34900
   74    67    68    80.00000  123.72100
   74    76    77    35.00000  120.00000
   74    76    82    70.00000  124.00000
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    81    35.00000  109.50000
   76    82    83    35.00000  109.50000
   76    82    84    35.00000  109.50000
   76    82    85    35.00000  109.50000
   82    76    77    35.00000  117.00000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   78    74    76    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   53    46    50    65.00000  117.92700
   53    61    62    55.00000  108.50000
   55    53    54    33.00000  107.80000
   61    53    54    35.00000  109.50000
   61    53    55    35.00000  109.50000
   47    43    46    70.00000  124.00000
   47    56    57    50.00000  109.50000
   47    56    58    37.50000  110.70000
   49    47    48    33.00000  107.80000
   56    33    37    58.35000  112.70000
   56    47    48    37.50000  110.70000
   56    47    49    37.50000  110.70000
   58    56    57    45.00000  125.66300
   39    33    37    58.35000  112.70000
   39    33    56    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    37    44   0.44750  1.0 1.0
   29    33    37    44  -0.17800 -1.0 2.0
   29    33    37    44   0.20200  1.0 3.0
   29    33    56    47   0.44750  1.0 1.0
   29    33    56    47  -0.17800 -1.0 2.0
   29    33    56    47   0.20200  1.0 3.0
   29    33    56    57   0.56750  1.0 1.0
   29    33    56    57  -0.07550 -1.0 2.0
   29    33    56    57   0.20000  1.0 3.0
   29    33    56    58   0.15000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    46   0.09850  1.0 1.0
   33    37    43    46   0.15250 -1.0 2.0
   33    37    43    46  -0.50650  1.0 3.0
   33    37   -43    47   0.46850  1.0 1.0
   33    37   -43    47   0.08550 -1.0 2.0
   33    37   -43    47   0.09800  1.0 3.0
   33    37    44    63   0.56750  1.0 1.0
   33    37    44    63  -0.07550 -1.0 2.0
   33    37    44    63   0.20000  1.0 3.0
   33    37    44    75   0.62750  1.0 1.0
   33    37    44    75  -0.30950 -1.0 2.0
   33    37    44    75   0.27300  1.0 3.0
   33    37    44    45   0.15000  1.0 3.0
   37    33   -56    47   0.56750  1.0 1.0
   37    33   -56    47  -0.07550 -1.0 2.0
   37    33   -56    47   0.20000  1.0 3.0
   37    33    56    57   0.62750  1.0 1.0
   37    33    56    57  -0.30950 -1.0 2.0
   37    33    56    57   0.27300  1.0 3.0
   37    33    56    58   0.15000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    46    50   7.00000 -1.0 2.0
   37    43    46    53   7.00000 -1.0 2.0
   37    43    47    48   0.34800  1.0 3.0
   37    43    47    49   0.34800  1.0 3.0
   37    43   -47    56   0.46850  1.0 1.0
   37    43   -47    56   0.08550 -1.0 2.0
   37    43   -47    56   0.09800  1.0 3.0
   38    37    43    46   0.00000  1.0 1.0
   38    37    43    47   0.34800  1.0 3.0
   38    37    44    63   0.15000  1.0 3.0
   38    37    44    75   0.23400  1.0 3.0
   38    37    44    45   0.15000  1.0 3.0
   43    37    44    63   0.34400  1.0 1.0
   43    37    44    63   0.09450 -1.0 2.0
   43    37    44    63   0.11100  1.0 3.0
   43    37    44    75   0.61850  1.0 1.0
   43    37    44    75  -0.22750 -1.0 2.0
   43    37    44    75   0.15300  1.0 3.0
   43    37    44    45   0.15000  1.0 3.0
   43    46    50    51   0.00000  1.0 1.0
   43    46    50    52   0.00000  1.0 1.0
   43    46    50    59   0.09850  1.0 1.0
   43    46    50    59   0.15250 -1.0 2.0
   43    46    50    59  -0.50650  1.0 3.0
   43    46    53    54   0.00000  1.0 1.0
   43    46    53    55   0.00000  1.0 1.0
   43    46    53    61   0.67800  1.0 1.0
   43    46    53    61   0.47050 -1.0 2.0
   43    46    53    61  -0.62500  1.0 3.0
   43    47   -56    33   0.34400  1.0 1.0
   43    47   -56    33   0.09450 -1.0 2.0
   43    47   -56    33   0.11100  1.0 3.0
   43    47    56    57   0.61850  1.0 1.0
   43    47    56    57  -0.22750 -1.0 2.0
   43    47    56    57   0.15300  1.0 3.0
   43    47    56    58   0.15000  1.0 3.0
   46    43    47    48   0.00000  1.0 1.0
   46    43    47    49   0.00000  1.0 1.0
   46    43    47    56   0.09850  1.0 1.0
   46    43    47    56   0.15250 -1.0 2.0
   46    43    47    56  -0.50650  1.0 3.0
   46    50    59    60   0.15000  1.0 3.0
   46    50    59    63   0.34400  1.0 1.0
   46    50    59    63   0.09450 -1.0 2.0
   46    50    59    63   0.11100  1.0 3.0
   46    50    59    65   0.61850  1.0 1.0
   46    50    59    65  -0.22750 -1.0 2.0
   46    50    59    65   0.15300  1.0 3.0
   46    53    61    62  -0.07800  1.0 1.0
   46    53    61    62  -0.21500 -1.0 2.0
   46    53    61    62  -0.03150  1.0 3.0
   50    46    53    54   0.34800  1.0 3.0
   50    46    53    55   0.34800  1.0 3.0
   50    46    53    61   0.18000  1.0 1.0
   50    46    53    61   0.16450 -1.0 2.0
   50    46    53    61   0.04450  1.0 3.0
   50    59    63    64   0.15000  1.0 3.0
   50    59    63    66   0.34400  1.0 1.0
   50    59    63    66   0.09450 -1.0 2.0
   50    59    63    66   0.11100  1.0 3.0
   50    59    63    44   0.56750  1.0 1.0
   50    59    63    44  -0.07550 -1.0 2.0
   50    59    63    44   0.20000  1.0 3.0
   50    59    65    67  -0.25900  1.0 1.0
   50    59    65    67  -0.47000 -1.0 2.0
   50    59    65    67   0.11750  1.0 3.0
   51    50    59    60   0.15000  1.0 3.0
   51    50    59    63   0.15000  1.0 3.0
   51    50    59    65   0.23400  1.0 3.0
   52    50    59    60   0.15000  1.0 3.0
   52    50    59    63   0.15000  1.0 3.0
   52    50    59    65   0.23400  1.0 3.0
   59    63    66    69   0.09700  1.0 1.0
   59    63    66    69   0.15600 -1.0 2.0
   59    63    66    69  -0.50800  1.0 3.0
   59    63    66    71   0.09850  1.0 1.0
   59    63    66    71   0.15250 -1.0 2.0
   59    63    66    71  -0.50650  1.0 3.0
   59    63    44    37   0.56750  1.0 1.0
   59    63    44    37  -0.07550 -1.0 2.0
   59    63    44    37   0.20000  1.0 3.0
   59    63    44    75   0.62750  1.0 1.0
   59    63    44    75  -0.30950 -1.0 2.0
   59    63    44    75   0.27300  1.0 3.0
   59    63    44    45   0.15000  1.0 3.0
   59    65    67    68   3.00000 -1.0 2.0
   59    65    67    74   2.00000 -1.0 2.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    66   0.15000  1.0 3.0
   60    59    63    44   0.15000  1.0 3.0
   60    59    65    67   0.08050  1.0 3.0
   63    59    65    67  -0.25900  1.0 1.0
   63    59    65    67  -0.47000 -1.0 2.0
   63    59    65    67   0.11750  1.0 3.0
   63    66    69    70  -0.64400  1.0 1.0
   63    66    69    70   0.26850 -1.0 2.0
   63    66   -69    75  -0.15000  1.0 1.0
   63    66   -69    75   0.89550 -1.0 2.0
   63    66   -69    75  -0.06900  1.0 3.0
   63    66    71    72   7.00000 -1.0 2.0
   63    66    71    73   7.00000 -1.0 2.0
   64    63    66    69   0.15000  1.0 3.0
   64    63    66    71   0.00000  1.0 1.0
   64    63    44    37   0.15000  1.0 3.0
   64    63    44    75   0.23400  1.0 3.0
   64    63    44    45   0.15000  1.0 3.0
   66    63    44    37   0.34400  1.0 1.0
   66    63    44    37   0.09450 -1.0 2.0
   66    63    44    37   0.11100  1.0 3.0
   66    63   -44    75   0.61850  1.0 1.0
   66    63   -44    75  -0.22750 -1.0 2.0
   66    63   -44    75   0.15300  1.0 3.0
   66    63    44    45   0.15000  1.0 3.0
   66    69   -75    44   2.00000 -1.0 2.0
   69    66    71    72   7.00000 -1.0 2.0
   69    66    71    73   7.00000 -1.0 2.0
   69    75    44    37  -0.25900  1.0 1.0
   69    75    44    37  -0.47000 -1.0 2.0
   69    75    44    37   0.11750  1.0 3.0
   69    75   -44    63  -0.25900  1.0 1.0
   69    75   -44    63  -0.47000 -1.0 2.0
   69    75   -44    63   0.11750  1.0 3.0
   69    75    44    45   0.08050  1.0 3.0
   70    69    75    44   3.00000 -1.0 2.0
   44    37    43    46   0.09850  1.0 1.0
   44    37    43    46   0.15250 -1.0 2.0
   44    37    43    46  -0.50650  1.0 3.0
   44    37    43    47   0.46850  1.0 1.0
   44    37    43    47   0.08550 -1.0 2.0
   44    37    43    47   0.09800  1.0 3.0
   44    63   -66    69   0.09700  1.0 1.0
   44    63   -66    69   0.15600 -1.0 2.0
   44    63   -66    69  -0.50800  1.0 3.0
   44    63    66    71   0.09850  1.0 1.0
   44    63    66    71   0.15250 -1.0 2.0
   44    63    66    71  -0.50650  1.0 3.0
   71    66    69    70   1.00000 -1.0 2.0
   71    66    69    75  -0.56150  1.0 1.0
   71    66    69    75   2.19150 -1.0 2.0
   65    59    63    64   0.23400  1.0 3.0
   65    59    63    66   0.61850  1.0 1.0
   65    59    63    66  -0.22750 -1.0 2.0
   65    59    63    66   0.15300  1.0 3.0
   65    59    63    44   0.62750  1.0 1.0
   65    59    63    44  -0.30950 -1.0 2.0
   65    59    63    44   0.27300  1.0 3.0
   65    67    74    76  -0.56150  1.0 1.0
   65    67    74    76   2.19150 -1.0 2.0
   65    67    74    78  -0.15000  1.0 1.0
   65    67    74    78   0.89550 -1.0 2.0
   65    67    74    78  -0.06900  1.0 3.0
   67    74    76    77   7.00000 -1.0 2.0
   67    74    76    82   7.00000 -1.0 2.0
   67    74    78    79   0.15000  1.0 3.0
   67    74    78    80   0.15000  1.0 3.0
   67    74    78    81   0.15000  1.0 3.0
   68    67    74    76   1.00000 -1.0 2.0
   68    67    74    78  -0.64400  1.0 1.0
   68    67    74    78   0.26850 -1.0 2.0
   74    76    82    83   0.00000  1.0 1.0
   74    76    82    84   0.00000  1.0 1.0
   74    76    82    85   0.00000  1.0 1.0
   76    74    78    79   0.00000  1.0 1.0
   76    74    78    80   0.00000  1.0 1.0
   76    74    78    81   0.00000  1.0 1.0
   77    76    82    83   0.33100  1.0 3.0
   77    76    82    84   0.33100  1.0 3.0
   77    76    82    85   0.33100  1.0 3.0
   78    74    76    77   7.00000 -1.0 2.0
   78    74    76    82   7.00000 -1.0 2.0
   53    46    50    51   0.34800  1.0 3.0
   53    46    50    52   0.34800  1.0 3.0
   53    46    50    59   0.46850  1.0 1.0
   53    46    50    59   0.08550 -1.0 2.0
   53    46    50    59   0.09800  1.0 3.0
   54    53    61    62   0.19450  1.0 3.0
   55    53    61    62   0.19450  1.0 3.0
   47    43    46    50   7.00000 -1.0 2.0
   47    43    46    53   7.00000 -1.0 2.0
   48    47    56    33   0.15000  1.0 3.0
   48    47    56    57   0.23400  1.0 3.0
   48    47    56    58   0.15000  1.0 3.0
   49    47    56    33   0.15000  1.0 3.0
   49    47    56    57   0.23400  1.0 3.0
   49    47    56    58   0.15000  1.0 3.0
   56    33    37    38   0.15000  1.0 3.0
   56    33   -37    43   0.34400  1.0 1.0
   56    33   -37    43   0.09450 -1.0 2.0
   56    33   -37    43   0.11100  1.0 3.0
   56    33    37    44   0.56750  1.0 1.0
   56    33    37    44  -0.07550 -1.0 2.0
   56    33    37    44   0.20000  1.0 3.0
   56    33    39    40   0.15000  1.0 3.0
   56    33    39    41   0.15000  1.0 3.0
   56    33    39    42   0.15000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.34400  1.0 1.0
   39    33    37    43   0.09450 -1.0 2.0
   39    33    37    43   0.11100  1.0 3.0
   39    33    37    44   0.56750  1.0 1.0
   39    33    37    44  -0.07550 -1.0 2.0
   39    33    37    44   0.20000  1.0 3.0
   39    33    56    47   0.56750  1.0 1.0
   39    33    56    47  -0.07550 -1.0 2.0
   39    33    56    47   0.20000  1.0 3.0
   39    33    56    57   0.62750  1.0 1.0
   39    33    56    57  -0.30950 -1.0 2.0
   39    33    56    57   0.27300  1.0 3.0
   39    33    56    58   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
   35    30    34    36  10.50000 -1.0 2.0
   37    47    43    46   1.10000 -1.0 2.0
   50    53    46    43   1.10000 -1.0 2.0
   63    69    66    71   1.10000 -1.0 2.0
   66    75    69    70  10.50000 -1.0 2.0
   72    73    71    66   1.10000 -1.0 2.0
   65    74    67    68  10.50000 -1.0 2.0
   67    78    74    76  15.00000 -1.0 2.0
   82    77    76    74  15.00000 -1.0 2.0
END
