* LIGAND DATABASE FILE (OPLS2005)
*
001      89    93    172    268     499
    1     0 S   NP   _N1_     1    29.05063    94.95995   -25.68639
    2     1 S   H    _HN1     2     1.02796   122.48002   -91.01598
    3     1 S   H    _H1_     3     1.02946    74.85494    11.39579
    4     1 S   H    _H2_     4     1.02827    32.42917  -162.17057
    5     1 S   CT   _CA1     5     1.50129   120.16138   116.50723
    6     5 S   HC   _HA1     6     1.09573   105.15194    93.80621
    7     5 S   CO3  _C1_     7     1.53762   112.48239   -26.39462
    8     7 S   O2Z  _O11     8     1.26378   115.00104   -42.07453
    9     7 S   O2Z  _O12     9     1.26234   114.93882   136.91745
   10     5 S   CT   _CB1    10     1.53055   107.40245  -148.22175
   11    10 S   HC   HB11    11     1.09844   109.31173   -49.24887
   12    10 S   HC   HB12    12     1.09810   110.47934    67.33617
   13    10 S   CT   _CG1    13     1.53033   112.66347  -170.17689
   14    13 S   HC   HG11    14     1.09564   110.76091   -67.94685
   15    13 S   HC   HG12    15     1.09668   109.67507    51.31141
   16    13 S   C    _CD1    16     1.51817   111.90605   171.80799
   17    16 S   O    _OE1    17     1.22764   123.13758    14.03419
   18    16 S   N    _N2_    18     1.38651   111.89695  -165.97094
   19    18 S   H    _HN2    19     1.01572   118.99189     0.89526
   20    18 S   CT1  _CA2    20     1.46229   123.34379   176.11163
   21    20 S   HC   _HA2    21     1.09739   109.26079     8.03607
   22    20 S   C    _C2_    22     1.53699   108.79536  -107.44813
   23    22 S   O    _O2_    23     1.23080   122.25871  -148.42894
   24    20 S   CT   _CB2    32     1.53291   111.72965   130.03106
   25    24 S   HC   HB21    33     1.09593   110.22458    56.97253
   26    24 S   HC   HB22    34     1.09501   110.01391   176.00757
   27    22 S   N    _N3_    24     1.38315   113.86418    39.02851
   28    27 S   H    _HN3    25     1.01537   119.61621    -3.05396
   29    24 S   S    _SG2    35     1.82530   111.68078   -63.91333
   30    27 S   CT   _CA3    26     1.45282   123.32092   177.28380
   31    30 S   HC   HA31    27     1.09546   107.49184   -65.42863
   32    30 S   HC   HA32    28     1.09554   108.03088    51.04708
   33    29 S   CT   _C20    36     1.83900    98.78186   179.20156
   34    33 S   HC   _H3_    37     1.09579   108.53840   -52.80084
   35    30 S   CO3  _C3_    29     1.52986   114.01013   173.05737
   36    35 S   O2Z  _O31    30     1.26389   116.07157    -0.67144
   37    35 S   O2Z  _O32    31     1.26423   114.42267   179.39219
   38    33 S   CM   _C12    38     1.53954   108.97666  -173.80384
   39    38 S   CT   _C19    39     1.52694   109.56185   -96.95349
   40    39 S   HC   _H42    40     1.10217   104.96136    50.61854
   41    38 S   CMA  _C13    83     1.36679   121.70828    86.47729
   42    41 S   OM   _O25    84     1.27029   124.78162    -1.27380
   43    39 S   CT   _C15    41     1.53699   121.72909   168.32570
   44    43 S   HC   _H35    42     1.09764   111.11246    64.54328
   45    43 S   HC   _H36    43     1.09694   109.43645   -54.13590
   46    39 S   CT   _C21    74     1.55003   107.95044   -64.43446
   47    46 S   HC   _H44    75     1.10145   108.79216   -76.23220
   48    41 S   OS   _O28    85     1.41136   112.57170   176.63472
   49    43 S   CT   _C18    44     1.53830   109.56466  -174.84429
   50    49 S   HC   _H41    45     1.09987   109.06308    60.51347
   51    46 S   CT   _C22    76     1.55297   110.75863    39.60572
   52    51 S   HC   _H45    77     1.09924   108.59030   -95.09085
   53    48 S   CT   _C25    86     1.42732   114.41625   141.22221
   54    53 S   HC   _H52    87     1.09407   107.72625  -170.94998
   55    53 S   HC   _H53    88     1.09477   111.04095    71.11088
   56    53 S   HC   _H54    89     1.09540   111.10904   -52.81089
   57    49 S   C5A  _C11    46     1.49833   112.68503   179.39477
   58    33 S   OS   _O26    78     1.44094   109.56757    63.71347
   59    51 S   CT   _C23    79     1.52244   115.78738   144.72866
   60    59 S   HC   _H46    80     1.09504   111.50366   -64.49118
   61    59 S   HC   _H47    81     1.09600   109.99432   178.13859
   62    59 S   HC   _H48    82     1.09384   111.54702    58.17196
   63    57 S   C5B  _C8_    47     1.37924   125.00856   141.60941
   64    57 S   NA   _N23    57     1.36603   126.70757   -41.88866
   65    64 S   H    _H55    58     1.01072   125.58289     1.95525
   66    63 S   C56B _C7_    48     1.42119   107.75185   178.23287
   67    63 S   CT   _C14    64     1.48948   121.10204    -2.61419
   68    67 S   HC   _H33    65     1.09558   110.54299   135.93850
   69    67 S   HC   _H34    66     1.09705   108.66259  -106.04678
   70    66 S   CA   _C6_    49     1.41239   134.30882   179.34508
   71    70 S   HA   _H32    50     1.08453   118.51363    -0.09487
   72    67 S   CT   _C16    67     1.54830   110.94521    14.25776
   73    72 S   HC   _H37    68     1.09835   109.94906    77.93482
   74    72 S   HC   _H38    69     1.09689   107.64046  -165.71914
   75    70 S   CA   _C10    51     1.40196   119.45732   179.90935
   76    49 S   NT   _N24    70     1.48889   109.52328   -59.03533
   77    75 S   CA   _C5_    52     1.39804   119.96987    -0.01978
   78    77 S   HA   _H31    53     1.08838   119.70490  -180.00000
   79    75 S   OS   _O27    59     1.37157   125.41388   180.00000
   80    76 S   CT   _C17    71     1.47067   111.72269    60.28345
   81    80 S   HC   _H39    72     1.09576   108.27533  -179.33265
   82    80 S   HC   _H40    73     1.09755   110.83761    62.72160
   83    77 S   CA   _C4_    54     1.39850   121.64212     0.00000
   84    83 S   HA   _H30    55     1.08485   120.93340  -179.98022
   85    79 S   CT   _C24    60     1.42265   116.83571    -0.10835
   86    85 S   HC   _H49    61     1.09429   107.74740  -179.94065
   87    85 S   HC   _H50    62     1.09500   111.13639    62.31363
   88    85 S   HC   _H51    63     1.09500   111.13971   -62.20133
   89    66 S   C56A _C9_    56     1.39787   106.75929    -0.72470
  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   7   5   4   3
  13   5   2   1   1  15  20   9   9   2  13   6   5  14   8   4
  15   6  10   6   3   2   1   1  13   5   4   2   1   1  15   9
   3  12   9   5   4   8   4   6   3   2  10   3   6   4   5   2
   1   1   2   1   3   2   1   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    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    51    58    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    46    51    52    58    59    41    42    48  
   38    39    51    58    41  
   36    37  
   37  
    0  
   39    40    43    44    45    49    80    46    47    51    58    41    42    48    53  
   40    43    44    45    49    50    57    76    80    81    82    46    47    51    52    58    59    41    42    48  
   43    44    45    49    80    46    47    51    41  
   42    48    53    54    55    56    43    46    58  
   48    53  
   44    45    49    50    57    63    64    72    76    80    46    47    51  
   45    49    50    57    76    46  
   49    50    57    76    46  
   47    51    52    58    59    60    61    62    49    72    76    80    81    82  
   51    52    58    59    76    80    81    82  
   53    54    55    56  
   50    57    63    66    89    64    65    67    72    73    74    76    80    81    82  
   57    63    64    72    76    80  
   52    58    59    60    61    62    76    80    81    82  
   58    59    60    61    62    80  
   54    55    56  
   55    56  
   56  
    0  
   63    66    70    83    89    64    65    67    68    69    72    76    80  
   59    60    61    62    80  
   60    61    62    80  
   61    62  
   62  
    0  
   66    70    71    75    83    89    64    65    67    68    69    72    73    74    76  
   65    67    76    66    70    77    83    84    89  
   66    83    89  
   70    71    75    77    83    84    89    79    67    68    69    72  
   68    69    72    73    74    76    80    70    89  
   69    72    73    74    76  
   72    73    74    76  
   71    75    77    78    83    89    79    85  
   75    77    89    79  
   73    74    76    80    81    82  
   74    76    80  
   76    80  
   77    78    83    84    89    79    85    86    87    88  
   80    81    82  
   78    83    84    89    79    85  
   83    84    89    79  
   85    86    87    88    83  
   81    82  
   82  
    0  
   84    89  
   89  
   86    87    88  
   87    88  
   88  
    0  
    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   0.387900   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   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   58   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   64   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   65   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   72   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700   0.026700   2.5000   1.7750   0.001000000  -0.843144165
   76   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   77   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   79   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   85   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
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   317.000  1.510
   33    58   320.000  1.410
   38    39   317.000  1.510
   38    41   465.000  1.376
   39    40   340.000  1.090
   39    43   268.000  1.529
   39    46   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    49   268.000  1.529
   49    50   340.000  1.090
   49    57   295.000  1.489
   49    76   382.000  1.448
   57    63   520.000  1.370
   57    64   427.000  1.381
   63    66   380.000  1.440
   63    67   295.000  1.494
   66    70   469.000  1.404
   66    89   447.000  1.419
   70    71   367.000  1.080
   70    75   469.000  1.400
   75    77   469.000  1.400
   75    79   450.000  1.364
   77    78   367.000  1.080
   77    83   469.000  1.400
   83    84   367.000  1.080
   83    89   469.000  1.400
   89    64   428.000  1.380
   64    65   434.000  1.010
   79    85   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    76   382.000  1.448
   76    80   382.000  1.448
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    46   268.000  1.529
   46    47   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    58   320.000  1.410
   51    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   41    42   745.000  1.250
   41    48   440.000  1.360
   48    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    58    85.00000  114.68000
   33    38    39    65.00000  117.92700
   33    38    41    70.00000  124.00000
   33    58    51    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    43    70.00000  112.02700
   38    39    46    70.00000  112.02700
   38    41    42    65.00000  137.10300
   38    41    48    80.00000  120.01400
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    49    58.35000  112.70000
   39    46    80    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    51    58.35000  112.70000
   43    39    40    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    57    70.00000  113.44400
   43    49    76    56.20000  109.47000
   45    43    44    33.00000  107.80000
   49    43    44    37.50000  110.70000
   49    43    45    37.50000  110.70000
   49    57    63    55.00000  130.44200
   49    57    64    65.00000  122.56900
   49    76    72    51.80000  107.20000
   49    76    80    51.80000  107.20000
   57    49    50    45.00000  110.47400
   57    63    66    80.00000  105.82900
   57    63    67    55.00000  127.77900
   57    64    89    90.00000  107.14200
   57    64    65    35.00000  120.00000
   63    66    70    50.00000  134.85500
   63    66    89    80.00000  107.43600
   63    67    68    45.00000  111.11700
   63    67    69    45.00000  111.11700
   63    67    72    70.00000  112.62400
   66    70    71    35.00000  120.00000
   66    70    75    63.00000  120.00000
   66    89    83    85.00000  122.70000
   66    89    64    70.00000  104.40000
   70    75    77    63.00000  120.00000
   70    75    79    70.00000  120.00000
   75    70    71    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    83    63.00000  120.00000
   75    79    85    75.00000  111.00000
   77    83    84    35.00000  120.00000
   77    83    89    85.00000  120.00000
   83    77    78    35.00000  120.00000
   83    89    64    70.00000  132.80000
   89    66    70    85.00000  116.20000
   89    83    84    35.00000  120.00000
   89    64    65    35.00000  123.10000
   64    57    63    70.00000  106.30000
   79    75    77    70.00000  120.00000
   79    85    86    35.00000  109.50000
   79    85    87    35.00000  109.50000
   79    85    88    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   67    63    66    55.00000  128.73000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    76    56.20000  109.47000
   69    67    68    33.00000  107.80000
   72    67    68    37.50000  110.70000
   72    67    69    37.50000  110.70000
   72    76    80    51.80000  107.20000
   74    72    73    33.00000  107.80000
   76    49    50    35.00000  109.50000
   76    49    57    75.00000  112.58000
   76    72    73    35.00000  109.50000
   76    72    74    35.00000  109.50000
   76    80    81    35.00000  109.50000
   76    80    82    35.00000  109.50000
   76    80    46    56.20000  109.47000
   80    46    47    37.50000  110.70000
   80    46    51    58.35000  112.70000
   82    80    81    33.00000  107.80000
   46    39    40    37.50000  110.70000
   46    39    43    58.35000  112.70000
   46    80    81    37.50000  110.70000
   46    80    82    37.50000  110.70000
   46    51    52    37.50000  110.70000
   46    51    58    50.00000  109.50000
   46    51    59    58.35000  112.70000
   51    46    47    37.50000  110.70000
   51    59    60    37.50000  110.70000
   51    59    61    37.50000  110.70000
   51    59    62    37.50000  110.70000
   58    33    34    35.00000  109.50000
   58    33    38    85.00000  110.90400
   58    51    52    35.00000  109.50000
   59    51    52    37.50000  110.70000
   59    51    58    50.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   41    38    39    70.00000  124.00000
   41    48    53    90.00000  111.18400
   48    41    42    65.00000  121.00000
   48    53    54    35.00000  109.50000
   48    53    55    35.00000  109.50000
   48    53    56    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    58   0.13850  1.0 1.0
   24    29    33    58  -1.34450 -1.0 2.0
   24    29    33    58   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   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    58    51   0.14700  1.0 1.0
   29    33    58    51  -1.16150 -1.0 2.0
   29    33    58    51   0.48700  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    43   0.46850  1.0 1.0
   33    38    39    43   0.08550 -1.0 2.0
   33    38    39    43   0.09800  1.0 3.0
   33    38    39    46   0.46850  1.0 1.0
   33    38    39    46   0.08550 -1.0 2.0
   33    38    39    46   0.09800  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    48   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    58    51   0.37050  1.0 3.0
   38    33    58    51  -0.77900  1.0 1.0
   38    33    58    51  -0.36900 -1.0 2.0
   38    33    58    51   0.40400  1.0 3.0
   38    39    43    44   0.15000  1.0 3.0
   38    39    43    45   0.15000  1.0 3.0
   38    39    43    49   0.34400  1.0 1.0
   38    39    43    49   0.09450 -1.0 2.0
   38    39    43    49   0.11100  1.0 3.0
   38    39    46    80   0.34400  1.0 1.0
   38    39    46    80   0.09450 -1.0 2.0
   38    39    46    80   0.11100  1.0 3.0
   38    39    46    47   0.15000  1.0 3.0
   38    39   -46    51   0.34400  1.0 1.0
   38    39   -46    51   0.09450 -1.0 2.0
   38    39   -46    51   0.11100  1.0 3.0
   38    41    48    53  -2.26850  1.0 1.0
   38    41    48    53   3.39050 -1.0 2.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    48   7.00000 -1.0 2.0
   39    43    49    50   0.15000  1.0 3.0
   39    43    49    57  -0.03700  1.0 1.0
   39    43    49    57   0.37200 -1.0 2.0
   39    43    49    57  -0.47300  1.0 3.0
   39    43    49    76   1.53400  1.0 1.0
   39    43    49    76  -0.09950 -1.0 2.0
   39    43    49    76   0.05700  1.0 3.0
   39    46    51    52   0.15000  1.0 3.0
   39    46    51    58   0.62750  1.0 1.0
   39    46    51    58  -0.30950 -1.0 2.0
   39    46    51    58   0.27300  1.0 3.0
   39    46    51    59   0.56750  1.0 1.0
   39    46    51    59  -0.07550 -1.0 2.0
   39    46    51    59   0.20000  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    49   0.15000  1.0 3.0
   40    39    46    80   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    51   0.15000  1.0 3.0
   43    39    46    80   0.56750  1.0 1.0
   43    39    46    80  -0.07550 -1.0 2.0
   43    39    46    80   0.20000  1.0 3.0
   43    39    46    47   0.15000  1.0 3.0
   43    39    46    51   0.56750  1.0 1.0
   43    39    46    51  -0.07550 -1.0 2.0
   43    39    46    51   0.20000  1.0 3.0
   43    49    57    63   0.04150 -1.0 2.0
   43    49    57    64   0.39850  1.0 1.0
   43    49    57    64   0.06450 -1.0 2.0
   43    49    57    64   0.32400  1.0 3.0
   43    49    76    72   0.23450  1.0 1.0
   43    49    76    72   0.02050 -1.0 2.0
   43    49    76    72   0.25250  1.0 3.0
   43    49   -76    80   0.23450  1.0 1.0
   43    49   -76    80   0.02050 -1.0 2.0
   43    49   -76    80   0.25250  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    57   0.43200  1.0 3.0
   44    43    49    76   0.15000  1.0 3.0
   45    43    49    50   0.15000  1.0 3.0
   45    43    49    57   0.43200  1.0 3.0
   45    43    49    76   0.15000  1.0 3.0
   49    57    63    66   3.62500 -1.0 2.0
   49    57    63    67   3.62500 -1.0 2.0
   49    57    64    89   3.62500 -1.0 2.0
   49    57    64    65   2.00000 -1.0 2.0
   49    76    80    81   0.28000  1.0 3.0
   49    76    80    82   0.28000  1.0 3.0
   49    76    80    46   0.23450  1.0 1.0
   49    76    80    46   0.02050 -1.0 2.0
   49    76    80    46   0.25250  1.0 3.0
   50    49    57    63   0.00000  1.0 1.0
   50    49    57    64   0.00000  1.0 1.0
   50    49    76    72   0.28000  1.0 3.0
   50    49    76    80   0.28000  1.0 3.0
   57    49    76    72   0.82600  1.0 1.0
   57    49    76    72  -0.32100 -1.0 2.0
   57    49    76    72   1.02000  1.0 3.0
   57    49    76    80   0.82600  1.0 1.0
   57    49    76    80  -0.32100 -1.0 2.0
   57    49    76    80   1.02000  1.0 3.0
   57    63    66    70   3.62500 -1.0 2.0
   57    63   -66    89   3.50000 -1.0 2.0
   57    63    67    68   0.00000  1.0 1.0
   57    63    67    69   0.00000  1.0 1.0
   57    63   -67    72   0.04150 -1.0 2.0
   63    57   -64    89   3.62500 -1.0 2.0
   63    57    64    65   1.40000 -1.0 2.0
   63    66    70    71   3.62500 -1.0 2.0
   63    66    70    75   3.62500 -1.0 2.0
   63    66    89    83   3.00000 -1.0 2.0
   63    66   -89    64   3.00000 -1.0 2.0
   63    67    72    73   0.43200  1.0 3.0
   63    67    72    74   0.43200  1.0 3.0
   63    67    72    76   0.83750  1.0 1.0
   63    67    72    76   0.32200 -1.0 2.0
   63    67    72    76   0.70600  1.0 3.0
   66    63    67    68   0.00000  1.0 1.0
   66    63    67    69   0.00000  1.0 1.0
   66    63    67    72   0.04150 -1.0 2.0
   66    70    75    77   3.62500 -1.0 2.0
   66    70    75    79   3.62500 -1.0 2.0
   66    89   -64    57   3.62500 -1.0 2.0
   66    89    64    65   1.52500 -1.0 2.0
   70    66    89    83   3.00000 -1.0 2.0
   70    66    89    64   3.00000 -1.0 2.0
   70    75    77    78   3.62500 -1.0 2.0
   70    75   -77    83   3.62500 -1.0 2.0
   70    75    79    85   1.63200 -1.0 2.0
   71    70    75    77   3.62500 -1.0 2.0
   71    70    75    79   3.62500 -1.0 2.0
   75    77    83    84   3.62500 -1.0 2.0
   75    77    83    89   3.62500 -1.0 2.0
   75    79    85    86   0.08050  1.0 3.0
   75    79    85    87   0.08050  1.0 3.0
   75    79    85    88   0.08050  1.0 3.0
   77    75    79    85   1.63200 -1.0 2.0
   77    83   -89    66   3.62500 -1.0 2.0
   77    83    89    64   3.62500 -1.0 2.0
   78    77    83    84   3.62500 -1.0 2.0
   78    77    83    89   3.62500 -1.0 2.0
   83    89    64    57   3.62500 -1.0 2.0
   83    89    64    65   1.52500 -1.0 2.0
   84    83    89    66   3.62500 -1.0 2.0
   84    83    89    64   3.62500 -1.0 2.0
   89    66    70    71   3.50000 -1.0 2.0
   89    66   -70    75   3.50000 -1.0 2.0
   64    57   -63    66   3.62500 -1.0 2.0
   64    57    63    67   3.62500 -1.0 2.0
   79    75    77    78   3.62500 -1.0 2.0
   79    75    77    83   3.62500 -1.0 2.0
   67    63    66    70   3.62500 -1.0 2.0
   67    63    66    89   3.62500 -1.0 2.0
   67    72   -76    49   0.23450  1.0 1.0
   67    72   -76    49   0.02050 -1.0 2.0
   67    72   -76    49   0.25250  1.0 3.0
   67    72    76    80   0.23450  1.0 1.0
   67    72    76    80   0.02050 -1.0 2.0
   67    72    76    80   0.25250  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    76   0.15000  1.0 3.0
   69    67    72    73   0.15000  1.0 3.0
   69    67    72    74   0.15000  1.0 3.0
   69    67    72    76   0.15000  1.0 3.0
   72    76    80    81   0.28000  1.0 3.0
   72    76    80    82   0.28000  1.0 3.0
   72    76    80    46   0.23450  1.0 1.0
   72    76    80    46   0.02050 -1.0 2.0
   72    76    80    46   0.25250  1.0 3.0
   73    72    76    49   0.28000  1.0 3.0
   73    72    76    80   0.28000  1.0 3.0
   74    72    76    49   0.28000  1.0 3.0
   74    72    76    80   0.28000  1.0 3.0
   76    49   -57    63   0.18550 -1.0 2.0
   76    49   -57    63   0.14000  1.0 3.0
   76    49    57    64   0.04300 -1.0 2.0
   76    80   -46    39   1.53400  1.0 1.0
   76    80   -46    39  -0.09950 -1.0 2.0
   76    80   -46    39   0.05700  1.0 3.0
   76    80    46    47   0.15000  1.0 3.0
   76    80    46    51   1.53400  1.0 1.0
   76    80    46    51  -0.09950 -1.0 2.0
   76    80    46    51   0.05700  1.0 3.0
   80    46    51    52   0.15000  1.0 3.0
   80    46    51    58   0.62750  1.0 1.0
   80    46    51    58  -0.30950 -1.0 2.0
   80    46    51    58   0.27300  1.0 3.0
   80    46    51    59   0.56750  1.0 1.0
   80    46    51    59  -0.07550 -1.0 2.0
   80    46    51    59   0.20000  1.0 3.0
   81    80    46    39   0.15000  1.0 3.0
   81    80    46    47   0.15000  1.0 3.0
   81    80    46    51   0.15000  1.0 3.0
   82    80    46    39   0.15000  1.0 3.0
   82    80    46    47   0.15000  1.0 3.0
   82    80    46    51   0.15000  1.0 3.0
   46    39    43    44   0.15000  1.0 3.0
   46    39    43    45   0.15000  1.0 3.0
   46    39   -43    49   0.56750  1.0 1.0
   46    39   -43    49  -0.07550 -1.0 2.0
   46    39   -43    49   0.20000  1.0 3.0
   46    51   -58    33   0.06250  1.0 1.0
   46    51   -58    33  -0.01100 -1.0 2.0
   46    51   -58    33   0.28050  1.0 3.0
   46    51    59    60   0.15000  1.0 3.0
   46    51    59    61   0.15000  1.0 3.0
   46    51    59    62   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    58   0.23400  1.0 3.0
   47    46    51    59   0.15000  1.0 3.0
   52    51    58    33   0.37050  1.0 3.0
   52    51    59    60   0.15000  1.0 3.0
   52    51    59    61   0.15000  1.0 3.0
   52    51    59    62   0.15000  1.0 3.0
   58    33   -38    39   0.09700  1.0 1.0
   58    33   -38    39   0.15600 -1.0 2.0
   58    33   -38    39  -0.50800  1.0 3.0
   58    33    38    41   0.39000  1.0 1.0
   58    33    38    41  -0.05800 -1.0 2.0
   58    33    38    41  -0.55150  1.0 3.0
   58    51    59    60   0.23400  1.0 3.0
   58    51    59    61   0.23400  1.0 3.0
   58    51    59    62   0.23400  1.0 3.0
   59    51    58    33   0.06250  1.0 1.0
   59    51    58    33  -0.01100 -1.0 2.0
   59    51    58    33   0.28050  1.0 3.0
   41    38    39    40   0.00000  1.0 1.0
   41    38    39    43   0.09850  1.0 1.0
   41    38    39    43   0.15250 -1.0 2.0
   41    38    39    43  -0.50650  1.0 3.0
   41    38    39    46   0.09850  1.0 1.0
   41    38    39    46   0.15250 -1.0 2.0
   41    38    39    46  -0.50650  1.0 3.0
   41    48    53    54   0.08050  1.0 3.0
   41    48    53    55   0.08050  1.0 3.0
   41    48    53    56   0.08050  1.0 3.0
   42    41    48    53   2.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    41   1.10000 -1.0 2.0
   63    64    57    49   4.00000 -1.0 2.0
   66    67    63    57   4.00000 -1.0 2.0
   70    89    66    63   4.00000 -1.0 2.0
   75    71    70    66   1.10000 -1.0 2.0
   77    79    75    70   4.00000 -1.0 2.0
   83    78    77    75   1.10000 -1.0 2.0
   89    84    83    77   1.10000 -1.0 2.0
   83    64    89    66   4.00000 -1.0 2.0
   65    57    64    89   1.00000 -1.0 2.0
   42    48    41    38   1.10000 -1.0 2.0
END
